1HIS A 1 999.90 13.31-179.00 -56.96 -64.61 999.90 999.90 0.00 0.00 34.46 32.23 2.742 1.140 2 4 13.292 5.661 2MET A 2 67.30 96.83 179.78 -54.02 178.86 -55.46 999.90 0.00 0.00 33.41 32.31 1.693 1.625 3 5 9.250 7.079 3PRO A 3 -85.10 159.96 177.31 32.93 999.90 999.90 999.90 0.00 0.00 39.03 42.30 1.063 1.980 4 6 5.679 8.553 4LYS A 4 -97.24 145.14-179.58 60.59 175.38 177.04 -63.81 0.00 0.00 34.08 12.12 2.018 2.293 4 7 9.404 11.347 5SER A 5 -79.77 136.15 178.65 62.71 999.90 999.90 999.90 0.00 0.00 34.56 52.45 2.311 3.142 5 10 11.330 12.967 6PRO A 6 -67.55 160.76-179.55 25.23 999.90 999.90 999.90 0.00 0.00 38.23 62.25 1.564 1.942 4 10 8.914 9.809 7GLN A 7 -69.57 84.75 179.06-169.68 179.34 32.46 999.90 0.00 0.00 33.81 24.41 2.881 1.844 4 15 12.854 8.401 8LYS A 8 -71.81 148.16-177.06 47.15 76.44 172.29 62.81 -1.85 0.00 32.97 11.22 2.222 2.650 6 20 10.819 12.205 9PRO A 9 e -58.08 130.53 179.71 18.44 999.90 999.90 999.90 0.00 0.00 38.00 31.30 2.613 2.479 9 27 12.587 11.136 10ILE A 10 E-132.33 169.96 176.97 54.79 84.29 999.90 999.90 0.00 0.00 33.68 4.21 0.972 0.990 10 33 6.247 6.129 11VAL A 11 E-130.60 132.42-178.15-177.95 999.90 999.90 999.90 -2.40 0.00 34.32 4.01 1.501 1.446 14 42 6.856 9.361 12ARG A 12 E -89.13 98.41-175.85 -49.50 178.81-168.74-174.36 -1.96 0.00 34.45 3.32 2.488 1.914 12 36 10.697 9.850 13VAL A 13 E -99.13 111.14 175.28-174.28 999.90 999.90 999.90 -2.44 0.00 34.19 51.31 0.814 2.263 12 51 3.986 9.514 14PHE A 14 E -89.45 111.97-176.47 -60.13 -84.08 999.90 999.90 -3.17 0.00 34.22 13.33 2.312 1.950 12 37 11.359 9.779 15LEU A 15 e -90.75 161.74 178.62 -60.92 174.93 999.90 999.90 -1.36 0.00 34.55 14.42 1.547 1.387 11 42 8.777 7.009 16PRO A 16 t -55.54 162.51 178.56 -24.26 999.90 999.90 999.90 0.00 0.00 38.47 53.22 1.339 1.223 9 35 7.742 7.150 17ASN A 17 T 59.83 36.59 176.89 -59.13 -29.09 999.90 999.90 0.00 0.00 33.75 42.13 2.491 1.630 4 25 12.294 8.019 18LYS A 18 T 66.20 13.44 179.11 -58.17 -58.28 175.90-177.74 0.00 0.00 33.70 34.23 1.147 1.383 6 21 4.972 7.500 19GLN A 19 e -76.72 159.70-179.47 -63.72 -63.71 -29.89 999.90 -1.46 0.00 34.30 61.15 1.573 2.601 8 30 7.606 12.088 20ARG A 20 E-149.56 154.07 174.29 59.67 174.95 58.66 168.43 0.00 0.00 34.50 35.01 3.085 2.293 8 33 13.126 10.500 21THR A 21 E-157.63 150.84 175.35 179.29 999.90 999.90 999.90 -2.23 0.00 34.10 75.41 1.489 3.298 9 38 8.906 14.092 22VAL A 22 E-125.47 119.83-176.13-177.54 999.90 999.90 999.90 0.00 0.00 33.78 12.13 0.953 1.379 8 39 4.863 8.428 23VAL A 23 E-121.57 152.41-179.33 -65.58 999.90 999.90 999.90 -1.55 0.00 34.41 64.01 1.611 2.057 10 41 9.093 10.581 24PRO A 24 E -72.20 132.36 179.48 27.58 999.90 999.90 999.90 0.00 0.00 38.31 41.14 2.527 2.318 9 37 11.289 11.281 25ALA A 25 e -89.48 104.70-175.95 999.90 999.90 999.90 999.90 -2.00 0.00 34.14 0.00 0.827 2.713 13 36 4.227 11.438 26ARG A 26 t-122.42 140.71 177.30 -56.04 175.31 178.45 158.14 -0.88 0.00 34.86 50.13 1.417 1.848 10 29 6.183 9.109 27CYS A 27 T -69.98 122.35-176.98-177.53 999.90 999.90 999.90 0.00 0.00 34.29 24.30 2.143 2.289 7 24 9.779 10.427 28GLY A 28 T 113.67 -29.50 179.24 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.286 0.000 7 21 9.984 0.000 29VAL A 29 t -89.55 126.49 179.38 180.00 999.90 999.90 999.90 -1.22 0.00 34.55 54.24 1.734 1.599 11 27 7.721 7.788 30THR A 30 h -87.32 160.83 178.81 64.20 999.90 999.90 999.90 0.00 0.00 34.11 0.22 1.330 2.068 11 32 7.478 10.498 31VAL A 31 H -52.93 -39.39-178.92-179.07 999.90 999.90 999.90 -2.50 0.00 34.28 34.21 2.658 2.350 12 51 11.845 10.933 32ARG A 32 H -74.23 -21.16-179.92-148.73-176.91 75.29-173.34 -2.19 0.00 34.31 3.20 1.462 1.930 9 43 6.671 9.641 33ASP A 33 H -84.05 -34.38 179.74-168.90 85.21 999.90 999.90 -1.07 0.00 34.11 61.43 1.472 1.784 7 35 8.683 9.373 34SER A 34 H -80.84 -55.10-174.53 59.20 999.90 999.90 999.90 -2.06 0.00 34.56 21.51 3.215 0.684 12 44 14.068 3.482 35LEU A 35 h -73.54 -2.31-178.14 -65.12 179.57 999.90 999.90 -2.12 0.00 34.22 51.12 1.879 2.183 9 54 9.569 9.965 36LYS A 36 H -60.72 -29.08 173.79 56.74 174.78 166.67 60.49 0.00 0.00 32.11 2.33 2.417 1.526 9 37 11.334 7.973 37LYS A 37 H -76.69 -38.94 178.68 -62.22-164.06 -55.98-175.01 -1.07 0.00 33.82 63.23 2.019 2.579 7 27 9.752 11.875 38ALA A 38 H -60.15 -54.68 176.03 999.90 999.90 999.90 999.90 0.00 0.00 33.97 0.00 2.150 0.187 9 41 9.225 0.701 39LEU A 39 H -55.52 -45.74-179.73 -57.65 177.18 999.90 999.90 -2.96 0.00 34.71 42.11 2.633 1.889 11 39 11.795 8.450 40MET A 40 H -55.19 -55.79-176.89-172.35-179.01-174.83 999.90 -1.38 0.00 34.79 64.32 1.480 1.285 9 25 7.699 7.730 41MET A 41 H -67.53 -22.18 178.73 61.03-179.36 60.49 999.90 -2.82 0.00 33.86 25.41 3.013 1.880 7 22 12.908 9.743 42ARG A 42 H -91.97 -23.07-178.44 -57.00 -59.23-175.24-107.83 -1.50 0.00 34.22 72.00 1.843 2.713 7 27 9.567 12.611 43GLY A 43 h 92.16 42.42-178.77 999.90 999.90 999.90 999.90 -2.16 0.00 999.90 0.00 1.490 0.000 6 28 7.103 0.000 44LEU A 44 t-127.15 162.94 178.80 -60.33 174.42 999.90 999.90 -2.74 0.00 34.82 72.43 3.425 3.187 9 38 14.685 13.473 45ILE A 45 t-128.81 142.86-175.34 56.99 177.06 999.90 999.90 0.00 0.00 33.84 14.34 2.651 1.109 8 35 12.294 4.729 46PRO A 46 T -60.19 -19.68 177.96 20.68 999.90 999.90 999.90 0.00 0.00 38.16 63.42 1.997 2.784 10 41 8.633 12.555 47GLU A 47 T -76.15 -28.80-176.98 -62.80 -56.01 -68.08 999.90 0.00 0.00 34.25 52.14 2.851 2.768 6 31 12.708 11.702 48CYS A 48 e-106.89 19.10-177.82-178.21 999.90 999.90 999.90 -1.64 0.00 34.68 73.33 2.814 2.318 11 33 12.535 11.867 49CYS A 49 E-130.65 130.28 179.26 -63.14 999.90 999.90 999.90 0.00 0.00 34.00 41.31 2.909 2.762 12 42 13.097 11.683 50ALA A 50 E-110.00 119.44 179.07 999.90 999.90 999.90 999.90 -2.68 0.00 34.78 0.00 2.549 0.914 11 39 11.814 3.282 51VAL A 51 E -99.78 122.32 175.20-176.04 999.90 999.90 999.90 -0.54 0.00 34.50 52.11 2.765 2.768 12 53 12.527 11.724 52TYR A 52 E-134.07 152.13 176.74 67.38 85.28 999.90 999.90 -2.12 0.00 33.36 2.40 2.263 1.130 11 41 9.673 7.234 53ARG A 53 E-115.50 142.88-178.61 60.11 178.74 -60.27-134.09 -2.22 0.00 34.50 15.04 0.853 1.883 12 35 5.115 10.065 54ILE A 54 E-101.37 130.07 177.88 -55.82 179.10 999.90 999.90 -0.63 0.00 33.97 73.20 3.182 2.854 10 26 14.300 12.948 55GLN A 55 E-161.62 133.41-179.06-169.41 178.19 -89.99 999.90 -2.41 0.00 34.22 53.31 2.651 1.884 7 18 12.791 9.042 56ASP A 56 T 60.72 28.65-179.56 -67.73 -87.71 999.90 999.90 0.00 0.00 33.66 13.13 1.568 1.416 4 11 7.698 7.341 57GLY A 57 T 78.49 10.70 177.45 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.655 0.000 5 11 11.747 0.000 58GLU A 58 E-114.47 145.17 173.35 -63.95-164.96 -79.19 999.90 -1.56 0.00 34.43 25.13 1.326 1.268 6 15 7.580 5.798 59LYS A 59 E-102.36 102.44-176.56 -62.07 176.41 179.60 179.12 0.00 0.00 34.19 33.12 0.933 1.725 8 21 4.739 9.070 60LYS A 60 E -88.83 113.67 176.38-173.08 62.56-178.15-178.58 -3.08 0.00 34.54 70.11 2.424 1.844 8 23 10.424 9.302 61PRO A 61 E -64.69 139.52-176.75 -17.14 999.90 999.90 999.90 0.00 0.00 38.17 63.22 3.176 2.292 8 34 13.482 11.565 62ILE A 62 E-118.22 142.39 176.92 -52.67 173.80 999.90 999.90 -3.15 0.00 34.83 21.42 2.265 1.693 9 42 10.073 8.161 63GLY A 63 t -88.25 137.80 179.57 999.90 999.90 999.90 999.90 0.00 0.00 999.90 0.00 2.807 0.000 7 34 12.414 0.000 64TRP A 64 T -63.29 -17.17 179.19 -67.10 88.85 999.90 999.90 0.00 0.00 34.28 14.15 1.457 2.607 9 40 6.646 11.639 65ASP A 65 T -81.49 -10.46-176.68 56.93 -73.65 999.90 999.90 0.00 0.00 35.07 4.41 1.497 1.722 7 28 6.904 9.187 66THR A 66 t -80.32 143.87 175.42 -56.67 999.90 999.90 999.90 -2.01 0.00 34.60 44.11 2.405 1.559 9 31 10.320 6.920 67ASP A 67 B -62.42 132.52 179.20 -72.73 68.02 999.90 999.90 0.00 0.00 34.54 43.10 1.517 1.602 12 33 7.979 7.875 68ILE A 68 G -65.38 -18.37 177.23-175.26 179.23 999.90 999.90 -2.83 0.00 33.88 25.02 1.713 2.305 14 42 10.030 10.860 69SER A 69 G -62.16 -23.65 176.15 58.96 999.90 999.90 999.90 -0.63 0.00 34.46 33.22 1.795 1.510 10 35 8.693 6.144 70TRP A 70 G -71.81 -15.77-175.65 -68.28 59.03 999.90 999.90 -1.69 0.00 34.83 23.52 1.357 1.506 6 38 8.067 7.769 71LEU A 71 G-113.85 13.56-176.90 -51.36 174.78 999.90 999.90 -1.88 0.00 35.10 15.03 1.715 2.084 10 45 8.270 9.778 72THR A 72 g -51.90 113.77 176.91 -61.63 999.90 999.90 999.90 -0.90 0.00 34.51 42.33 2.306 2.121 11 33 12.206 9.238 73GLY A 73 T 90.77 -17.93-177.27 999.90 999.90 999.90 999.90 -2.12 0.00 999.90 0.00 2.146 0.000 9 29 10.904 0.000 74GLU A 74 e -73.99 168.06 178.44 -62.47 -60.13 -73.41 999.90 -1.99 0.00 34.36 11.15 2.656 1.846 8 37 11.892 9.578 75GLU A 75 E-112.72 114.74-176.95 -62.77 176.67 60.26 999.90 0.00 0.00 34.30 32.21 1.858 2.098 11 41 9.874 9.906 76LEU A 76 E -93.33 147.72 177.02 -55.60-178.22 999.90 999.90 -1.93 0.00 34.68 74.01 1.732 1.474 12 50 9.506 9.083 77HIS A 77 E-127.54 117.67-175.92 -60.72-102.30 999.90 999.90 -2.65 0.00 34.06 52.34 3.188 2.088 11 44 13.501 10.501 78VAL A 78 E-103.96 144.68 175.79-175.11 999.90 999.90 999.90 -3.03 0.00 34.41 15.41 2.158 1.992 12 46 10.142 9.040 79GLU A 79 E-130.75 177.85-179.11 -64.50-158.17 47.67 999.90 -2.02 0.00 33.91 24.20 1.737 1.411 9 39 9.686 7.331 80VAL A 80 E -91.94 140.44 178.75-178.33 999.90 999.90 999.90 0.00 0.00 34.57 61.41 3.058 2.905 9 29 13.178 12.211 81LEU A 81 e-106.96 -86.21-178.43 -70.00 176.34 999.90 999.90 -1.86 0.00 33.74 31.42 2.585 2.343 8 26 10.977 10.823 82GLU A 82 -86.01 106.26-177.23 54.82 177.59 -84.04 999.90 0.00 0.00 33.21 12.34 1.614 1.951 8 17 8.285 10.768 83ASN A 83 -80.56 42.29 179.15-173.54 28.65 999.90 999.90 -0.89 0.00 34.21 13.44 2.035 2.142 6 17 9.792 9.803 84VAL A 84 -137.53 66.36-179.41 -73.02 999.90 999.90 999.90 -1.30 0.00 33.64 30.33 2.693 1.205 4 13 12.345 5.331 85PRO A 85 -82.00 102.18-179.20 30.92 999.90 999.90 999.90 0.00 0.00 38.44 23.23 2.688 0.925 5 15 11.519 3.918 86LEU A 86 -100.36 999.90 999.90 -61.19 179.61 999.90 999.90 -0.95 0.00 34.24 63.32 2.321 2.645 2 11 10.268 11.545