NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 68 H 4.6838 8.4293 120.3950 56.3348 31.3194 172.6429 69 M 4.5506 7.8651 114.1371 52.0802 33.4529 173.9731 70 L 4.2060 9.0339 122.0460 54.3120 43.3164 178.0769 71 P 4.1065 0.0000 0.0000 65.4012 31.7264 177.6268 72 S 4.5259 7.3070 112.7015 57.7469 63.8308 173.2946 73 G 3.5718 8.5287 106.1945 48.2252 0.0000 174.4005 74 F 4.3300 7.9420 117.9285 57.7017 40.4423 174.3224 75 R 5.0978 8.3529 121.4019 54.7491 32.2529 175.0258 76 K 5.1781 8.7665 124.3473 55.6666 34.7504 175.3085 77 F 5.0108 8.7530 124.6854 56.2042 42.2497 173.7939 78 L 4.4163 7.4304 128.4189 54.6697 43.0846 176.1162 79 V 4.2412 8.4277 125.1760 60.4597 33.4799 176.2293 80 H 4.2696 9.0761 123.3260 58.0125 29.2927 174.3810 81 N 4.9018 7.5284 114.1720 50.9102 39.8248 174.9765 82 V 3.6610 8.4629 110.3748 64.7775 31.5234 178.6841 83 K 3.9977 8.1092 117.7281 59.4961 31.6527 178.9758 84 E 4.1644 7.8121 117.9774 59.2729 29.3750 178.9955 85 L 4.3582 8.0649 119.0306 56.2818 41.7230 177.1297 86 E 4.3506 7.5988 118.6380 55.3948 29.7085 175.7932 87 V 4.3635 7.7203 121.9720 61.2605 34.4824 174.1580 88 L 3.9536 8.4727 126.8704 58.1116 42.1895 178.4377 89 L 3.9051 7.7035 117.4533 57.7034 41.6560 177.3467 90 M 4.0716 7.6503 119.3850 54.5709 30.4726 172.8217 91 C 4.6526 8.0611 122.5995 57.1965 33.3002 174.1939 92 N 4.4795 8.9446 124.9225 56.4981 38.6336 176.7786 93 K 4.2631 8.2158 116.3289 59.7609 32.2533 178.5375 94 S 4.0881 8.1607 114.3198 60.4160 63.2294 173.5641 95 Y 5.1470 8.6328 116.0221 56.4005 41.4173 175.1022 96 C 4.8807 9.1060 118.5857 58.0012 32.0320 172.5819 97 A 5.2563 8.9296 122.3546 50.2211 21.7878 175.1145 98 E 4.7836 8.9884 122.1066 54.3285 32.4440 174.8788 99 I 4.5305 8.4328 128.0702 60.2964 38.1111 175.9537 100 A 4.0099 8.4311 128.9334 52.4187 18.8224 178.2553 101 H 4.0613 8.9330 120.5432 59.0170 30.4032 176.2447 102 N 4.4305 8.2209 117.1346 56.3550 38.9860 175.7274 103 V 3.7215 7.2047 110.7316 61.2929 32.2405 176.7175 104 S 4.5111 8.3298 118.6928 57.4950 65.4417 175.5931 105 S 4.0676 8.3875 116.8278 61.3791 62.3357 176.3598 106 K 3.8874 7.9469 122.7975 59.3893 32.0659 178.4259 107 N 4.4364 7.7441 116.0725 56.3695 38.3769 177.6990 108 R 3.9491 8.1327 119.6789 58.8628 30.1476 178.9895 109 K 3.8864 8.2430 119.5687 59.4415 32.2481 178.7498 110 A 4.3301 7.5272 121.0111 54.8110 18.2390 179.6814 111 I 3.6769 7.7866 118.3816 64.4454 37.2743 178.8661 112 V 3.5693 8.2033 119.5286 66.0148 31.2325 177.9881 113 E 3.9666 8.1112 118.2047 59.4462 29.4423 179.3541 114 R 3.8844 8.1746 118.5496 59.2524 30.1264 178.4131 115 A 3.9957 8.3510 120.7409 55.0173 18.3250 179.4625 116 A 3.9275 7.9086 118.9246 55.4979 18.2598 179.9054 117 Q 3.9873 7.6913 115.0029 59.0862 28.8802 178.7965 118 L 4.0797 7.7315 118.0133 55.3231 41.6810 177.1087 119 A 3.7657 8.0459 120.8584 53.1777 16.3491 177.0195 120 I 4.4327 8.0973 120.3457 61.3823 38.8261 176.0801 121 R 4.1706 8.3787 127.0255 55.9726 31.6174 175.0526 122 V 4.6616 8.0147 118.7575 59.9790 32.7398 175.5591 123 T 4.0254 8.9950 122.1872 64.4461 67.8044 173.9647 124 N 4.8960 8.0201 118.3580 50.2434 38.9368 172.5235 125 P 4.4132 0.0000 0.0000 62.7373 31.7248 175.6739 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 68 H 8.43 4.68 0.00 3.13 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 M 7.87 4.55 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 70 L 9.03 4.21 0.00 1.99 1.70 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.11 0.00 2.06 2.13 0.00 3.69 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 2.04 2.08 0.00 72 S 7.31 4.53 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 73 G 8.53 3.57 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 74 F 7.94 4.33 0.00 3.11 3.12 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 75 R 8.35 5.10 0.00 1.94 2.32 0.00 3.44 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 76 K 8.77 5.18 0.00 1.83 1.86 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.56 7.81 77 F 8.75 5.01 0.00 3.09 3.01 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 L 7.43 4.42 0.00 1.40 1.01 0.80 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.43 4.24 2.12 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 0.71 0.00 0.00 1.00 0.00 0.00 80 H 9.08 4.27 0.00 3.18 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.53 4.90 0.00 2.84 2.93 0.00 0.00 6.28 7.68 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 82 V 8.46 3.66 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 0.85 0.00 0.00 0.94 0.00 0.00 83 K 8.11 4.00 0.00 1.87 1.88 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.61 7.81 84 E 7.81 4.16 0.00 2.18 2.29 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 2.43 2.71 0.00 85 L 8.06 4.36 0.00 1.72 1.76 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.60 4.35 0.00 1.97 1.90 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 2.31 2.24 0.00 87 V 7.72 4.36 1.95 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 0.82 0.00 0.00 0.82 0.00 0.00 88 L 8.47 3.95 0.00 1.61 1.63 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.70 3.91 0.00 1.32 1.25 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.65 4.07 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 91 C 8.06 4.65 0.00 3.13 3.12 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 92 N 8.94 4.48 0.00 2.82 3.24 0.00 0.00 7.15 7.61 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 K 8.22 4.26 0.00 1.77 1.88 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.43 7.81 94 S 8.16 4.09 0.00 3.78 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 95 Y 8.63 5.15 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 96 C 9.11 4.88 0.00 2.74 2.68 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 97 A 8.93 5.26 1.26 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 0.00 0.00 0.00 98 E 8.99 4.78 0.00 1.99 1.73 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 2.14 2.37 0.00 99 I 8.43 4.53 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.88 0.00 0.00 100 A 8.43 4.01 1.18 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 0.00 101 H 8.93 4.06 0.00 3.11 3.34 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.22 4.43 0.00 2.71 2.84 0.00 0.00 6.99 7.71 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 V 7.20 3.72 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 0.81 0.00 0.00 0.98 0.00 0.00 104 S 8.33 4.51 0.00 4.03 3.99 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 0.00 105 S 8.39 4.07 0.00 4.05 4.15 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 K 7.95 3.89 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.47 7.81 107 N 7.74 4.44 0.00 3.04 2.85 0.00 0.00 7.09 7.54 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 0.00 108 R 8.13 3.95 0.00 2.01 1.96 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 109 K 8.24 3.89 0.00 1.99 1.90 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 110 A 7.53 4.33 1.34 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 0.00 111 I 7.79 3.68 1.98 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 1.43 0.83 0.92 0.00 0.00 112 V 8.20 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 113 E 8.11 3.97 0.00 2.23 1.98 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 0.00 2.33 2.49 0.00 114 R 8.17 3.88 0.00 2.08 2.06 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 115 A 8.35 4.00 1.43 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 0.00 116 A 7.91 3.93 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 0.00 117 Q 7.69 3.99 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 118 L 7.73 4.08 0.00 1.89 1.75 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.05 3.77 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 0.00 0.00 0.00 0.00 0.00 120 I 8.10 4.43 1.95 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 1.15 0.67 0.93 0.00 0.00 121 R 8.38 4.17 0.00 1.66 1.35 0.00 3.04 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 122 V 8.01 4.66 2.05 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 0.72 0.00 0.00 0.90 0.00 0.00 123 T 8.99 4.03 4.21 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 0.00 0.00 0.00 1.30 0.00 0.00 124 N 8.02 4.90 0.00 2.84 2.78 0.00 0.00 6.00 7.75 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 0.00 125 P 0.00 4.41 0.00 2.19 2.05 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00