NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 K 4.3670 8.3149 122.1423 54.3218 33.4798 174.8035 57 R 4.5845 8.3369 122.0434 52.7310 32.9641 174.7616 58 N 4.5134 8.7274 121.2093 52.2601 38.2490 171.7455 59 R 4.4928 7.9748 119.8949 54.0342 31.2551 175.0662 60 I 4.3569 8.1013 126.8779 58.6421 38.6219 174.2124 61 P 4.3658 0.0000 0.0000 63.3868 31.3725 176.2616 62 L 4.4206 8.4103 119.7929 55.7347 42.4095 177.3080 63 S 4.6296 7.8147 114.5875 57.7919 63.9128 174.0610 64 C 3.9777 8.2649 117.5910 57.8623 31.4860 174.4865 65 T 3.7728 7.7691 113.4608 65.4475 67.9842 176.7058 66 I 3.6160 7.3884 121.5945 64.3893 37.2701 177.9534 67 C 4.1528 7.9219 117.0615 62.7761 27.7168 176.1157 68 R 3.8808 7.7668 119.3904 59.4025 29.7833 178.4796 69 K 4.1170 8.0430 117.4044 59.3136 32.1491 179.1066 70 R 4.0907 8.4661 116.9178 55.9251 30.7359 176.3535 71 K 3.7780 8.1820 117.2981 57.9616 29.6151 174.9010 72 V 4.4033 7.4214 110.2592 58.8146 34.8896 175.4614 73 K 4.0941 8.4187 122.1103 56.4031 32.4056 175.1928 74 C 4.7419 8.5193 126.6393 57.5532 32.9665 173.1603 75 D 4.4264 8.7239 126.5500 54.2934 39.5990 177.4911 76 K 4.3325 8.3056 116.4104 56.7845 29.4570 175.8212 77 L 4.0274 8.1042 120.2381 55.6745 42.3691 176.2826 78 R 4.8087 8.2502 123.0107 53.8528 32.4941 174.5795 79 P 4.5690 0.0000 0.0000 64.2984 32.1203 175.9017 80 H 5.0988 7.8757 115.8000 53.4780 32.0091 173.5760 81 C 4.6324 8.4772 118.7184 57.9575 32.0264 174.9407 82 Q 4.0362 9.4215 121.6205 58.8968 28.3289 179.2092 83 Q 3.9429 8.2228 120.9546 59.3859 29.0900 177.9717 84 C 4.1535 7.9551 117.2885 62.9628 28.2280 176.0752 85 T 3.8186 8.0299 117.3152 66.7219 67.9036 177.0006 86 K 4.1001 8.2564 119.4113 58.6227 31.9805 177.9303 87 T 4.3822 7.3549 107.0398 60.9736 68.7916 174.6215 88 G 3.9485 8.0739 108.5272 47.2327 0.0000 174.7463 89 V 4.4242 8.1193 111.1451 60.5793 33.3169 178.0377 90 A 3.8203 8.3083 123.4364 56.2250 18.0991 180.0882 91 H 4.3097 7.8089 108.0551 56.5897 28.5380 176.1889 92 L 4.4145 7.7521 119.6965 54.9216 42.3347 176.0782 93 C 4.3797 7.7513 121.0376 59.1919 32.0500 172.2527 94 H 4.9314 8.1296 119.8521 55.0870 31.2880 171.6054 95 Y 4.9709 8.5177 115.4555 56.1348 41.7075 175.5088 96 M 4.2556 8.6232 121.1060 54.9978 32.8798 176.4177 97 E 4.0289 8.5559 122.2214 56.4139 30.5173 176.4305 98 Q 4.1153 8.0273 122.2235 54.2755 30.3433 176.7690 99 T 3.7481 8.1216 119.3156 66.4889 68.5897 175.7424 100 W 4.5526 7.4167 114.3174 56.8802 28.6639 176.6848 101 A 4.7349 7.6446 121.4405 52.7113 19.7017 178.4378 102 E 3.7987 7.5069 118.2680 59.7440 29.6221 179.1812 103 E 3.9414 8.2066 117.4191 59.5198 29.7014 179.1746 104 A 4.0868 8.0204 120.1176 54.7104 18.3649 179.2822 105 E 3.8077 8.4234 118.5723 59.3649 29.8562 178.4988 106 K 3.8102 8.3244 120.1069 59.7559 32.0436 178.4307 107 E 3.9154 8.2127 118.4384 59.3357 29.4945 178.8205 108 L 3.9310 7.7967 120.2452 58.4061 42.0316 179.0991 109 L 4.0008 8.1005 118.7803 57.6835 41.5665 179.4521 110 K 3.9364 8.1617 119.5995 59.5628 32.1589 178.6510 111 D 4.3684 8.3559 119.4496 57.3044 40.6354 178.2557 112 N 4.3090 8.1667 117.6630 56.6127 38.9122 176.6114 113 E 3.9230 8.4081 121.0405 59.1728 29.7219 178.8338 114 L 3.9875 8.0338 119.1420 57.4505 41.7400 179.1990 115 K 3.8815 7.9355 119.4721 59.7145 32.1847 179.0398 116 K 4.0439 8.3303 118.8479 59.3489 32.0224 179.4420 117 L 4.0403 8.3592 119.7596 57.8523 41.4338 179.8456 118 R 3.9855 8.1982 118.1386 59.1987 29.9855 178.8956 119 E 3.9791 8.1101 117.9652 59.1355 29.3158 179.3975 120 R 3.8959 7.9866 119.1404 59.1586 30.0652 178.7213 121 V 3.5483 7.8222 118.1408 65.8446 31.5721 177.8778 122 K 3.8878 8.1958 119.5206 59.5614 31.9290 178.7364 123 S 4.0731 8.2779 113.4309 61.2760 62.3476 176.0897 124 L 3.9646 8.0794 121.7651 58.0192 41.2055 179.4059 125 E 4.0120 8.2378 117.3434 59.0470 29.3512 179.2845 126 K 4.0850 7.7396 119.0854 60.2611 32.5191 178.3295 127 T 3.6526 8.6499 113.9213 65.4423 68.1984 173.9144 128 L 4.0215 7.2808 130.1772 54.5481 42.0119 176.6269 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 4.37 0.00 1.79 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 57 R 8.34 4.58 0.00 1.85 1.86 0.00 3.19 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 58 N 8.73 4.51 0.00 2.67 2.77 0.00 0.00 6.84 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 7.97 4.49 0.00 1.83 1.85 0.00 3.32 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 60 I 8.10 4.36 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.87 0.00 0.00 61 P 0.00 4.37 0.00 2.20 2.09 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 62 L 8.41 4.42 0.00 1.75 1.84 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.81 4.63 0.00 3.88 3.83 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 64 C 8.26 3.98 0.00 2.57 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 3.77 4.12 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 1.10 0.00 0.00 66 I 7.39 3.62 1.77 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 1.52 0.69 0.86 0.00 0.00 67 C 7.92 4.15 0.00 3.06 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 68 R 7.77 3.88 0.00 1.97 1.92 0.00 3.25 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 1.64 1.67 0.00 69 K 8.04 4.12 0.00 1.92 1.83 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.51 7.81 70 R 8.47 4.09 0.00 1.94 1.96 0.00 3.32 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 71 K 8.18 3.78 0.00 1.87 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 72 V 7.42 4.40 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 0.75 0.00 0.00 0.92 0.00 0.00 73 K 8.42 4.09 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 74 C 8.52 4.74 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.72 4.43 0.00 2.86 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 8.31 4.33 0.00 2.00 2.05 0.00 1.85 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 77 L 8.10 4.03 0.00 1.96 1.84 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.25 4.81 0.00 1.78 1.77 0.00 3.18 0.00 0.00 2.94 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 79 P 0.00 4.57 0.00 2.07 2.15 0.00 3.68 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 1.76 1.92 0.00 80 H 7.88 5.10 0.00 3.13 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.48 4.63 0.00 3.57 3.21 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 0.00 82 Q 9.42 4.04 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 83 Q 8.22 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 84 C 7.96 4.15 0.00 3.13 3.03 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 85 T 8.03 3.82 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 1.21 0.00 0.00 86 K 8.26 4.10 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 87 T 7.35 4.38 4.23 0.00 0.00 0.00 0.00 0.00 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 88 G 8.07 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.12 4.42 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 0.74 0.00 0.00 0.95 0.00 0.00 90 A 8.31 3.82 1.14 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 0.00 0.00 0.00 91 H 7.81 4.31 0.00 3.14 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.75 4.41 0.00 1.82 1.66 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.75 4.38 0.00 2.88 2.90 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 0.00 0.00 0.00 94 H 8.13 4.93 0.00 3.22 3.34 0.00 5.45 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.52 4.97 0.00 2.92 2.86 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 0.00 0.00 0.00 0.00 96 M 8.62 4.26 0.00 1.99 1.97 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 2.61 2.55 0.00 97 E 8.56 4.03 0.00 1.91 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 2.28 2.24 0.00 98 Q 8.03 4.12 0.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.88 0.00 0.00 0.00 0.00 0.00 1.96 1.46 0.00 99 T 8.12 3.75 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 1.25 0.00 0.00 100 W 7.42 4.55 0.00 3.41 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 0.00 101 A 7.64 4.73 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.80 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 103 E 8.21 3.94 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 104 A 8.02 4.09 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 0.00 105 E 8.42 3.81 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 106 K 8.32 3.81 0.00 1.94 2.02 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 107 E 8.21 3.92 0.00 2.26 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 2.34 2.32 0.00 108 L 7.80 3.93 0.00 1.98 1.68 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.10 4.00 0.00 1.98 1.70 0.92 0.86 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 0.00 110 K 8.16 3.94 0.00 1.94 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 111 D 8.36 4.37 0.00 2.99 2.70 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 0.00 112 N 8.17 4.31 0.00 2.77 3.00 0.00 0.00 6.85 7.34 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 0.00 113 E 8.41 3.92 0.00 2.20 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 0.00 2.30 2.35 0.00 114 L 8.03 3.99 0.00 1.84 1.70 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.94 3.88 0.00 2.05 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 116 K 8.33 4.04 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 117 L 8.36 4.04 0.00 1.77 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.20 3.99 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 119 E 8.11 3.98 0.00 2.19 2.00 0.00 0.00 0.00 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 2.46 0.00 120 R 7.99 3.90 0.00 2.04 2.05 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 121 V 7.82 3.55 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 1.09 0.00 0.00 1.01 0.00 0.00 122 K 8.20 3.89 0.00 1.86 2.05 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 123 S 8.28 4.07 0.00 4.12 3.83 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 0.00 124 L 8.08 3.96 0.00 1.98 1.70 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.24 4.01 0.00 2.16 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 2.35 2.36 0.00 126 K 7.74 4.08 0.00 2.03 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 127 T 8.65 3.65 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 1.21 0.00 0.00 128 L 7.28 4.02 0.00 1.92 1.50 0.92 1.01 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