NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 K 4.1967 8.3149 121.7902 56.3788 32.6462 175.2651 57 R 4.2842 8.3732 125.6126 54.3115 32.4727 174.8911 58 N 4.8641 8.3502 115.9880 52.5390 39.1535 174.6246 59 R 4.0876 7.7545 118.8331 56.3195 30.8276 175.1046 60 I 4.3784 8.1291 126.6492 58.7741 38.6921 174.1187 61 P 4.3852 0.0000 0.0000 63.2120 31.7249 176.2213 62 L 4.4044 8.5254 120.9731 56.2301 42.5343 177.4012 63 G 4.0323 7.8317 106.9481 44.3293 0.0000 173.1084 64 C 3.8562 7.8889 114.2321 57.3698 31.6389 174.2721 65 T 3.7552 7.7698 113.7701 65.7284 67.9932 176.1566 66 I 3.6127 7.5859 122.2679 63.7585 37.2112 177.7364 67 C 3.8216 7.9766 116.7655 63.3616 27.7841 176.2974 68 R 3.7943 7.5954 118.7377 59.1437 29.8045 177.8311 69 K 3.9309 7.8278 118.8595 59.8829 32.2681 178.1892 70 R 4.1567 8.2180 116.4213 55.9266 30.4086 176.6605 71 K 3.8572 8.2298 117.0848 57.7379 29.6012 175.9356 72 V 4.3474 7.5676 110.5492 58.9955 34.3471 175.2613 73 K 4.1061 8.3304 122.2189 56.2001 32.3964 175.2917 74 C 4.5305 8.5156 126.6256 57.7157 32.1891 173.6821 75 D 4.4263 8.7770 126.8043 54.1124 39.0722 177.1915 76 K 4.1816 7.8002 116.5808 55.8595 30.8852 175.4433 77 L 4.0839 7.8121 120.6376 55.5432 42.4931 176.3425 78 R 4.8367 8.1001 121.2679 53.6625 33.2447 174.3831 79 P 4.4555 0.0000 0.0000 64.7186 31.9316 176.1627 80 H 5.0499 7.8290 115.9477 53.8518 32.0572 172.9449 81 C 4.6091 8.6669 118.9009 58.0866 30.5042 174.7618 82 Q 3.7710 9.0251 120.1685 58.7075 28.0094 178.4788 83 Q 4.0271 8.6224 121.6307 58.9724 29.0824 178.2841 84 C 5.3713 7.3987 114.8623 58.1984 30.4249 175.1491 85 T 4.2632 7.5567 119.8963 65.6286 69.2270 176.5708 86 K 4.0015 8.1385 119.9858 59.0679 32.4679 177.8098 87 T 4.2871 7.6285 107.9360 61.1295 68.7947 175.4600 88 G 3.9638 7.8770 108.7247 47.1097 0.0000 174.7952 89 V 4.3678 7.5891 109.2503 61.0441 33.4433 178.1890 90 A 3.7073 7.7503 124.0302 55.9933 18.5647 179.8903 91 H 4.1335 7.8608 108.6979 56.3157 28.3358 176.1416 92 L 4.5273 8.1068 118.5482 54.4677 42.4975 175.7585 93 C 4.4772 7.8535 121.0960 58.7525 32.0041 172.3370 94 H 5.1933 8.2729 120.5914 54.5210 32.0106 171.7625 95 Y 4.9195 8.8018 116.2790 56.4323 41.1099 175.2250 96 M 4.3511 8.5354 120.6623 54.8951 32.9539 176.3707 97 E 4.0548 8.4888 122.0778 55.9297 30.0763 176.8187 98 Q 3.8412 8.0455 123.9062 55.0636 29.8907 177.3783 99 T 3.9686 8.3909 112.0702 64.0316 68.9200 175.9392 100 W 4.4921 7.5421 114.9346 56.5837 27.8592 176.0123 101 A 4.7933 7.7520 119.8087 51.2818 19.5550 178.3148 102 E 3.8920 8.0806 116.2339 59.4849 29.4572 178.7617 103 E 3.9196 8.1991 117.9334 59.5699 29.7991 178.6300 104 A 4.0276 8.0805 120.0699 55.1003 18.5103 179.0965 105 E 3.8054 8.4126 118.0138 59.3589 29.8000 178.8708 106 K 3.9013 8.7575 120.3335 59.6482 32.3514 178.3385 107 E 3.9900 8.6215 119.8504 58.9781 29.4946 178.4282 108 L 4.0736 7.8662 120.4630 57.4784 42.1013 178.9482 109 L 3.9912 7.8086 118.9328 57.5059 41.6675 179.1006 110 K 3.8638 7.9695 118.4504 59.7148 32.0339 179.0150 111 D 4.3129 7.9506 118.3903 57.5655 40.8335 178.5355 112 N 4.3115 7.9206 116.4792 56.4071 38.4975 177.1450 113 E 3.9383 8.8009 120.9440 59.1781 29.6392 178.5929 114 L 3.9448 8.4391 120.8719 57.7386 41.5578 178.9208 115 K 3.9554 8.1916 119.7309 59.6220 32.2601 179.0995 116 K 4.0747 8.1234 118.6543 59.3648 31.8177 179.4515 117 L 4.0584 8.1942 119.5329 57.7506 40.9848 179.6890 118 R 3.9293 7.8286 118.2805 58.8835 29.9566 178.5166 119 E 4.0585 7.8095 118.2708 58.7841 29.6438 178.6586 120 R 3.9634 8.0142 119.3215 59.0142 30.1076 178.6393 121 V 3.6927 8.0645 119.3579 64.8338 31.2881 178.6502 122 K 4.0969 7.7628 117.9847 59.2773 32.0770 179.2821 123 S 4.1186 7.9947 113.4133 61.2765 61.9960 176.1981 124 L 4.0846 8.2739 121.2413 57.5560 41.6416 178.6628 125 E 4.0872 8.2780 117.8523 59.1944 29.5103 179.5101 126 K 4.1456 7.9888 118.3683 59.5206 32.2338 178.9962 127 T 4.0217 7.4652 109.0623 63.3216 67.2552 173.7906 128 L 4.7688 7.6149 119.6059 54.5941 42.4501 176.6054 129 S 4.2544 7.9074 118.8733 59.1334 62.2689 175.0150 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 56 K 8.31 4.20 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 57 R 8.37 4.28 0.00 1.94 1.88 0.00 3.23 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 58 N 8.35 4.86 0.00 2.66 2.74 0.00 0.00 6.90 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 59 R 7.75 4.09 0.00 1.85 1.88 0.00 3.47 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 60 I 8.13 4.38 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.86 0.00 0.00 61 P 0.00 4.39 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 62 L 8.53 4.40 0.00 1.73 1.84 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.89 3.86 0.00 2.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.77 3.76 4.14 0.00 0.00 0.00 0.00 0.00 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 66 I 7.59 3.61 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.45 0.86 0.00 0.00 67 C 7.98 3.82 0.00 3.02 2.99 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 68 R 7.60 3.79 0.00 1.73 2.13 0.00 3.34 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 69 K 7.83 3.93 0.00 1.92 2.00 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 70 R 8.22 4.16 0.00 1.87 1.95 0.00 3.28 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 71 K 8.23 3.86 0.00 1.87 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 72 V 7.57 4.35 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 0.69 0.00 0.00 0.92 0.00 0.00 73 K 8.33 4.11 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 74 C 8.52 4.53 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.43 0.00 2.83 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 76 K 7.80 4.18 0.00 2.00 2.04 0.00 1.75 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.68 7.81 77 L 7.81 4.08 0.00 1.92 1.65 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.10 4.84 0.00 1.72 1.68 0.00 3.08 0.00 0.00 2.64 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 79 P 0.00 4.46 0.00 1.96 2.12 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 80 H 7.83 5.05 0.00 3.12 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.67 4.61 0.00 3.48 3.18 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 82 Q 9.03 3.77 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 83 Q 8.62 4.03 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 84 C 7.40 5.37 0.00 3.08 3.06 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 85 T 7.56 4.26 4.39 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 1.20 0.00 0.00 86 K 8.14 4.00 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.74 7.81 87 T 7.63 4.29 4.22 0.00 0.00 0.00 0.00 0.00 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 88 G 7.88 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.59 4.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.96 0.00 0.00 90 A 7.75 3.71 1.12 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 0.00 0.00 91 H 7.86 4.13 0.00 3.15 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.11 4.53 0.00 1.69 1.65 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.85 4.48 0.00 2.92 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 94 H 8.27 5.19 0.00 3.24 3.38 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.80 4.92 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.54 4.35 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 97 E 8.49 4.05 0.00 1.90 1.81 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 2.24 2.29 0.00 98 Q 8.05 3.84 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.90 0.00 0.00 0.00 0.00 0.00 1.96 1.24 0.00 99 T 8.39 3.97 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 100 W 7.54 4.49 0.00 3.45 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 4.79 1.11 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 0.00 0.00 102 E 8.08 3.89 0.00 2.05 2.01 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 2.28 2.54 0.00 103 E 8.20 3.92 0.00 2.05 1.99 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 2.40 2.40 0.00 104 A 8.08 4.03 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 0.00 105 E 8.41 3.81 0.00 2.33 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 0.00 2.44 2.34 0.00 106 K 8.76 3.90 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 107 E 8.62 3.99 0.00 2.24 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 0.00 2.31 2.36 0.00 108 L 7.87 4.07 0.00 1.94 1.77 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.81 3.99 0.00 1.93 1.69 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.97 3.86 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 111 D 7.95 4.31 0.00 2.76 2.71 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 0.00 0.00 0.00 0.00 112 N 7.92 4.31 0.00 2.95 2.87 0.00 0.00 6.74 8.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.80 3.94 0.00 2.00 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 0.00 2.30 2.31 0.00 114 L 8.44 3.94 0.00 1.80 1.65 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.19 3.96 0.00 1.95 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 116 K 8.12 4.07 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 117 L 8.19 4.06 0.00 1.73 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.83 3.93 0.00 1.98 1.97 0.00 3.23 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 119 E 7.81 4.06 0.00 2.07 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 0.00 2.30 2.31 0.00 120 R 8.01 3.96 0.00 2.07 1.89 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 121 V 8.06 3.69 2.15 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 0.91 0.00 0.00 0.93 0.00 0.00 122 K 7.76 4.10 0.00 2.00 1.89 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.54 7.81 123 S 7.99 4.12 0.00 4.00 4.01 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 0.00 124 L 8.27 4.08 0.00 1.65 1.70 0.95 0.93 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 0.00 125 E 8.28 4.09 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 126 K 7.99 4.15 0.00 1.83 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 127 T 7.47 4.02 4.33 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 0.00 0.00 1.27 0.00 0.00 128 L 7.61 4.77 0.00 1.90 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.91 4.25 0.00 3.91 3.76 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