NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 Y 4.7205 8.1293 118.9049 56.6986 40.1015 175.7546 60 K 3.8642 5.7836 119.1438 54.2495 33.1575 172.1285 61 V 4.3273 8.4501 121.9443 64.0031 32.9524 178.9713 62 I 3.8378 7.8867 113.2973 63.5203 37.7214 176.9616 63 E 3.7477 8.0065 121.0348 54.7780 29.4191 172.4133 64 Q 4.1908 8.1129 115.3504 52.8119 30.9406 173.1481 65 P 3.9977 0.0000 0.0000 62.9950 31.6308 175.0339 66 I 4.3165 8.6406 120.2853 59.5679 39.1034 174.4481 67 T 4.5390 8.2904 122.2148 60.4129 69.1149 173.4933 68 S 4.5761 8.0402 122.8842 56.4641 68.3347 174.9855 69 E 3.8720 8.6037 122.4647 59.8092 29.3168 178.4950 70 T 3.7986 7.8330 112.5848 64.8407 67.4411 175.9312 71 A 3.9051 7.7940 122.5353 55.4024 18.3312 179.3874 72 M 4.0731 8.4848 114.5961 58.1957 31.6498 178.3315 73 K 4.5769 7.7941 121.7252 58.7287 32.1537 178.6532 74 K 4.2244 7.5349 119.8558 58.2708 33.3966 178.5687 75 V 4.3905 7.6500 115.4900 55.7980 29.7317 175.1297 76 E 4.8194 8.7375 132.7278 56.2293 34.6974 179.0975 77 D 4.5345 6.0500 115.5771 54.2460 40.3613 175.5379 78 G 4.1708 8.7912 110.9186 46.1183 0.0000 174.0285 79 N 4.2521 8.8104 120.5490 55.6731 38.8577 174.7609 80 I 4.4800 6.8756 113.8566 60.8001 40.7311 171.6963 81 L 5.1646 7.9033 120.1820 57.0109 42.2946 172.7467 82 V 4.4385 7.9926 109.5437 61.3628 34.8029 173.0029 83 F 4.8145 8.7387 115.9982 56.9134 39.4175 174.3280 84 Q 4.7682 8.1331 118.5395 56.2227 30.8010 172.0838 85 V 4.2162 7.7307 115.2648 62.4267 33.6175 173.4478 86 S 3.5665 8.7772 113.1735 59.3292 59.3295 172.3170 87 M 3.9723 8.4201 123.2893 58.2505 32.6221 177.4871 88 K 4.3318 7.7222 118.5444 54.6401 30.7474 175.4783 89 A 4.6732 7.3539 121.6817 50.5151 22.6683 176.3840 90 N 4.8593 8.4571 118.3567 52.1235 40.9971 175.4185 91 K 4.3883 8.2072 116.4372 57.6763 33.7475 176.9597 92 Y 4.1093 7.6869 118.4095 61.1973 38.4679 177.7249 93 Q 3.9036 8.2986 118.4350 58.6136 28.9464 175.9551 94 I 4.2721 7.3357 118.7072 61.6863 36.1813 176.3405 95 K 4.9956 7.8614 135.0000 57.8360 31.6733 176.5912 96 K 3.7581 8.1056 119.5582 59.3316 32.4331 177.3164 97 A 4.6845 7.7087 125.0941 50.1270 16.9716 175.1504 98 V 4.4544 7.4539 123.0763 63.7157 38.8658 175.2250 99 K 3.4730 7.8439 121.2113 59.0549 32.3083 178.5321 100 E 3.8152 8.5362 119.3387 59.1882 29.8324 178.0845 101 L 4.1887 7.5989 117.3528 57.3013 41.7415 176.2997 102 Y 4.7944 6.6821 113.0341 54.8698 41.0032 174.9031 103 E 4.2144 8.4207 118.2632 55.3776 28.9829 175.1748 104 V 4.3782 7.2671 122.2228 62.1764 34.3546 171.7040 105 D 4.8347 8.6076 124.9888 52.8440 43.1909 175.7614 106 V 4.4189 8.1416 116.7034 59.8499 32.1868 175.8242 107 L 4.0961 8.4811 128.3640 57.4204 42.3831 177.2154 108 K 4.7642 7.7285 116.8803 54.5751 36.6889 175.0458 109 V 4.5695 8.2207 123.3942 60.2607 33.4302 175.2233 110 N 4.7376 8.0695 124.1695 52.7380 41.2352 172.9133 111 T 4.4710 8.0182 116.2584 63.4913 72.8747 172.2715 112 L 4.8574 7.8019 125.9957 55.4242 44.5423 174.4068 113 V 3.7944 7.8830 120.7643 62.3548 33.3288 178.9222 114 R 4.9003 6.9850 118.9519 56.6416 31.3323 176.3398 115 P 4.4688 0.0000 0.0000 63.4714 31.7315 174.0545 116 N 4.3385 8.7983 121.7975 53.2260 43.6063 175.3073 117 G 4.0591 8.9713 105.4732 44.9857 0.0000 172.9132 118 T 4.9610 7.3198 109.8723 60.2733 71.6180 172.9911 119 K 5.3972 8.6312 118.6915 53.9517 36.2742 175.5911 120 K 4.7928 8.9419 122.2625 55.0227 35.6703 175.7177 121 A 4.5313 8.4148 126.3738 51.0363 22.1574 174.9144 122 Y 4.6576 8.2266 121.5143 55.3930 40.4533 174.9970 123 V 4.7077 8.3861 123.9397 61.1131 34.3598 174.1713 124 R 5.1693 8.8325 125.6691 54.6724 33.8011 176.0078 125 L 4.8306 8.3766 123.2474 54.4412 44.2159 176.5764 126 T 4.4810 7.7509 103.2918 61.9113 67.9370 173.4690 127 A 4.0989 8.2483 122.2978 53.4236 16.8350 177.7137 128 D 4.8120 8.1054 113.7316 54.1135 41.9395 174.7037 129 Y 4.4728 7.8281 119.9286 55.7271 41.7744 174.0892 130 D 4.6063 7.2947 124.8026 52.3576 43.1069 175.1612 131 A 4.2280 8.3265 123.9426 51.7096 18.3845 177.2986 132 L 4.1788 8.8529 124.6251 58.9374 40.7322 179.0011 133 D 4.2232 7.9933 116.4785 51.9611 38.4186 172.9001 134 I 4.1506 6.7858 118.8984 61.3724 41.9081 173.2542 135 A 4.1490 8.7396 129.6781 52.6271 18.1481 176.8287 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 59 Y 8.13 4.72 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 5.78 3.86 0.00 1.81 1.26 0.00 0.74 0.00 0.00 1.08 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.21 7.81 61 V 8.45 4.33 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 62 I 7.89 3.84 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 1.03 0.00 0.00 63 E 8.01 3.75 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 64 Q 8.11 4.19 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.57 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 65 P 0.00 4.00 0.00 2.12 1.93 0.00 3.39 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 66 I 8.64 4.32 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 1.03 0.00 0.00 67 T 8.29 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 68 S 8.04 4.58 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.60 3.87 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 70 T 7.83 3.80 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 71 A 7.79 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.48 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 73 K 7.79 4.58 0.00 1.85 1.95 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.48 7.81 74 K 7.53 4.22 0.00 1.59 1.83 0.00 1.37 0.00 0.00 1.49 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.47 7.81 75 V 7.65 4.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 76 E 8.74 4.82 0.00 2.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 77 D 6.05 4.53 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.81 4.25 0.00 2.99 2.95 0.00 0.00 6.55 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 6.88 4.48 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 1.08 0.00 0.00 81 L 7.90 5.16 0.00 1.89 1.66 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.99 4.44 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.69 0.00 0.00 83 F 8.74 4.81 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.13 4.77 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 85 V 7.73 4.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 86 S 8.78 3.57 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.42 3.97 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 88 K 7.72 4.33 0.00 1.79 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 89 A 7.35 4.67 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.46 4.86 0.00 2.84 2.86 0.00 0.00 6.68 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.21 4.39 0.00 1.61 1.73 0.00 1.45 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.85 1.12 7.81 92 Y 7.69 4.11 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.30 3.90 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 94 I 7.34 4.27 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.75 0.00 0.00 95 K 7.86 5.00 0.00 2.01 2.10 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.23 7.81 96 K 8.11 3.76 0.00 1.91 1.80 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 97 A 7.71 4.68 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.45 4.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.87 0.00 0.00 99 K 7.84 3.47 0.00 1.72 1.92 0.00 1.41 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.30 7.81 100 E 8.54 3.82 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 101 L 7.60 4.19 0.00 2.25 1.96 1.16 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.68 4.79 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.42 4.21 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 104 V 7.27 4.38 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.32 0.00 0.00 105 D 8.61 4.83 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.14 4.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.91 0.00 0.00 107 L 8.48 4.10 0.00 1.67 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.73 4.76 0.00 1.62 1.53 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 109 V 8.22 4.57 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.76 0.00 0.00 110 N 8.07 4.74 0.00 1.79 2.48 0.00 0.00 6.81 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.02 4.47 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 112 L 7.80 4.86 0.00 1.77 1.69 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.88 3.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 114 R 6.98 4.90 0.00 1.88 1.20 0.00 3.39 0.00 0.00 3.25 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 115 P 0.00 4.47 0.00 2.04 1.98 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 116 N 8.80 4.34 0.00 2.62 2.76 0.00 0.00 7.35 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.32 4.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 K 8.63 5.40 0.00 1.72 1.68 0.00 1.90 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.38 7.81 120 K 8.94 4.79 0.00 1.71 1.66 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 121 A 8.41 4.53 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.23 4.66 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.39 4.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.82 0.00 0.00 124 R 8.83 5.17 0.00 2.05 1.75 0.00 3.19 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 125 L 8.38 4.83 0.00 1.82 1.79 1.29 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.75 4.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 127 A 8.25 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.11 4.81 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.83 4.47 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.29 4.61 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.33 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.85 4.18 0.00 2.04 1.89 0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.99 4.22 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.79 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.95 0.00 0.00 135 A 8.74 4.15 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00