NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3062 8.2649 123.5820 51.6482 20.4980 176.1229 2 V 4.3604 7.2418 105.3363 57.2012 35.6855 173.1941 3 Q 3.9434 8.8387 118.9142 57.4469 29.1401 175.8813 4 Q 4.4044 8.5066 122.3065 55.3072 29.2793 174.2469 5 N 4.5616 7.4856 111.8232 52.3432 41.8060 173.9079 6 K 3.9961 8.6888 127.3642 55.6532 32.7804 174.6140 7 P 4.4307 0.0000 0.0000 63.0361 31.8341 174.7519 8 T 4.6287 8.0348 109.3429 60.4696 71.3926 174.6288 9 R 3.9926 8.2320 116.1364 58.2044 29.9195 178.3781 10 S 4.0637 7.8818 113.9435 61.2406 62.5865 175.7866 11 K 3.9395 8.5212 122.8550 59.3207 31.6833 178.7001 12 R 4.1048 7.4895 118.3030 59.2931 30.1760 178.3960 13 G 3.7258 7.9791 105.3785 48.0744 0.0000 175.1771 14 M 3.9898 8.3147 122.0347 58.1361 31.9349 179.0202 15 R 3.9754 8.4565 116.9005 58.4231 30.3571 177.6398 16 R 5.1115 8.7454 118.5877 56.3676 30.9701 178.7387 17 S 4.2360 7.5204 114.6164 61.8978 62.9879 175.9035 18 H 4.6285 8.2480 115.0134 55.8206 28.3702 175.4517 19 D 4.6468 9.1052 120.4938 53.8768 41.3357 176.4291 20 A 4.3348 7.2736 121.5738 52.5328 19.5056 179.2999 21 L 4.5143 8.1584 126.0164 54.6336 41.4677 176.4769 22 T 4.4769 8.0069 118.0264 61.7161 70.1291 173.4870 23 A 4.3650 8.2896 129.5182 51.8191 19.7340 177.1543 24 V 3.9822 8.1847 116.7166 63.0179 32.8036 175.3879 25 T 3.0870 7.9069 113.6126 64.8102 64.2967 171.0833 26 S 3.6699 8.0251 118.8405 58.1510 62.6562 171.4886 27 L 4.9953 8.0338 119.4274 53.2602 45.2604 176.3755 28 S 4.8964 8.4852 115.6687 57.5657 66.2150 172.9498 29 V 5.1055 7.9624 117.7949 60.3800 33.8879 174.2038 30 D 4.4141 8.7502 124.5568 54.0480 41.7527 175.7895 31 K 3.9048 8.9167 126.0238 60.0388 31.6360 177.6037 32 T 3.6901 7.5341 112.3869 67.1225 69.5343 178.3221 33 S 4.5094 7.2642 130.5094 58.8456 62.5560 176.3400 34 G 4.1281 8.2209 115.9781 46.6561 0.0000 171.3531 35 E 4.4413 8.1423 120.1995 54.9815 31.1169 175.8564 36 K 4.8589 8.7287 124.5835 56.8412 33.4293 175.7759 37 H 5.1888 9.3874 120.9234 52.9311 32.0574 173.0528 38 L 4.2235 8.5777 119.4248 54.7937 42.3632 176.6444 39 R 3.7044 8.3817 123.0234 57.8425 30.2801 175.5320 40 H 4.3884 9.5754 120.2972 56.4359 25.7274 173.6682 41 H 4.8999 7.9177 113.6337 54.5047 31.4633 171.9761 42 I 4.1120 7.7557 119.7580 59.9512 38.0336 176.2569 43 T 4.2348 8.1192 114.6107 60.8388 69.6618 175.2170 44 A 4.0076 8.4962 123.4988 54.5623 18.3917 177.9653 45 D 4.9144 7.7173 112.6396 53.4830 41.7863 177.1432 46 G 3.7567 8.1063 108.2861 45.5220 0.0000 173.0014 47 Y 4.7767 7.7808 117.1451 57.0660 38.5809 173.8130 48 Y 5.3139 7.8634 120.2129 57.8722 42.3297 176.3029 49 R 4.6702 7.8350 115.3135 56.0126 30.6700 175.1766 50 G 3.9625 9.5148 112.6911 47.0007 0.0000 171.3012 51 R 4.6655 7.5844 114.0919 53.8838 34.0276 174.1936 52 K 4.7713 8.6123 122.1273 54.4039 34.7562 175.2117 53 V 4.3443 8.0770 119.4838 61.4787 32.8157 179.6205 54 I 3.2623 7.6740 115.3302 61.4305 40.5937 174.1589 55 A 4.4076 8.8350 129.4034 52.9080 20.8541 177.4519 56 K 4.1248 7.4217 119.4272 56.8657 32.1063 177.0402 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 1 A 8.26 4.31 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 4.36 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.84 3.94 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.20 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 4 Q 8.51 4.40 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 5 N 7.49 4.56 0.00 2.67 2.62 0.00 0.00 7.06 6.68 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 6 K 8.69 4.00 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.43 0.00 2.08 2.00 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.03 4.63 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 9 R 8.23 3.99 0.00 2.05 2.22 0.00 2.96 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 S 7.88 4.06 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.52 3.94 0.00 1.87 1.78 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 12 R 7.49 4.10 0.00 1.96 2.13 0.00 3.32 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 13 G 7.98 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.31 3.99 0.00 2.07 2.30 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 2.77 2.59 0.00 15 R 8.46 3.98 0.00 1.79 2.17 0.00 3.24 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 16 R 8.75 5.11 0.00 2.01 1.98 0.00 3.35 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 17 S 7.52 4.24 0.00 3.98 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 0.00 18 H 8.25 4.63 0.00 3.14 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.11 4.65 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.27 4.33 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 21 L 8.16 4.51 0.00 1.65 1.50 0.92 0.80 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 22 T 8.01 4.48 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 23 A 8.29 4.36 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 24 V 8.18 3.98 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 0.86 0.00 0.00 0.93 0.00 0.00 25 T 7.91 3.09 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 26 S 8.03 3.67 0.00 4.00 3.86 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 27 L 8.03 5.00 0.00 1.50 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.49 4.90 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.96 5.11 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 30 D 8.75 4.41 0.00 2.73 2.59 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 0.00 0.00 0.00 0.00 31 K 8.92 3.90 0.00 1.76 1.87 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 T 7.53 3.69 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 1.12 0.00 0.00 33 S 7.26 4.51 0.00 3.59 3.38 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 34 G 8.22 4.13 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 0.00 35 E 8.14 4.44 0.00 1.94 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 2.37 2.24 0.00 36 K 8.73 4.86 0.00 1.80 1.87 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 37 H 9.39 5.19 0.00 3.38 3.47 0.00 5.27 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 38 L 8.58 4.22 0.00 0.99 1.45 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.38 3.70 0.00 1.73 1.91 0.00 3.11 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 40 H 9.58 4.39 0.00 3.39 3.55 0.00 5.91 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.92 4.90 0.00 3.19 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.76 4.11 1.65 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.79 0.00 0.00 43 T 8.12 4.23 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 44 A 8.50 4.01 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 45 D 7.72 4.91 0.00 3.20 2.92 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 0.00 0.00 0.00 46 G 8.11 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 0.00 0.00 0.00 47 Y 7.78 4.78 0.00 3.14 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 48 Y 7.86 5.31 0.00 2.80 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 49 R 7.83 4.67 0.00 1.84 1.72 0.00 2.21 0.00 0.00 2.79 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.00 50 G 9.51 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 51 R 7.58 4.67 0.00 2.00 1.84 0.00 3.11 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 52 K 8.61 4.77 0.00 1.79 1.64 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.55 0.91 7.81 53 V 8.08 4.34 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 0.74 0.00 0.00 0.89 0.00 0.00 54 I 7.67 3.26 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.38 0.85 0.00 0.00 55 A 8.83 4.41 1.23 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 0.00 0.00 0.00 56 K 7.42 4.12 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.36 7.81