NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3249 8.2549 120.8660 55.8687 31.4205 174.8479 5 I 3.9542 8.2987 126.5498 61.0762 38.3339 173.6726 6 R 5.3939 8.8948 124.8929 54.4871 35.2973 173.8978 7 K 4.7597 8.6891 118.2437 55.6584 36.6624 174.4883 8 C 4.6249 8.5344 122.4558 57.7799 32.3569 172.7338 9 P 4.1431 0.0000 0.0000 64.5883 31.1924 176.2825 10 K 4.3381 7.9781 118.9118 55.9453 33.6175 175.4110 11 C 3.6971 8.7638 120.4774 57.7422 27.7242 173.5962 12 G 4.4077 7.8865 106.2594 46.1144 0.0000 173.6413 13 R 4.0710 7.5052 120.6007 56.4858 31.2084 174.8632 14 Y 4.8859 8.4993 123.0060 57.3898 39.6213 174.5483 15 T 4.5895 8.9779 117.0362 61.8522 71.2789 173.6378 16 L 4.5525 8.5496 122.6371 54.8063 42.8358 177.5399 17 K 4.3046 8.0393 118.9902 55.7578 32.9522 176.8995 18 E 4.1629 8.9200 121.9736 58.9022 30.5760 177.2051 19 V 4.6098 7.4769 111.4434 59.0875 34.1114 175.7346 20 C 4.2086 8.6839 126.1188 59.1471 31.8518 173.0231 21 P 4.3508 0.0000 0.0000 65.0439 31.5462 178.0589 22 V 3.8232 7.9045 117.5239 65.1505 31.7336 176.2937 23 C 4.5660 7.9656 111.6036 57.0669 30.5475 175.5207 24 G 4.0150 8.1879 108.5968 45.9270 0.0000 174.1269 25 E 4.2132 7.5738 119.7909 55.8678 30.6292 176.8672 26 K 4.6195 8.6632 122.5885 57.1155 32.8284 176.5596 27 T 4.7756 8.9609 114.6419 60.1943 71.3186 173.5287 28 K 4.7325 8.4961 120.1578 54.5486 35.3333 175.7615 29 V 4.0339 8.4002 120.7711 63.3048 31.6905 176.9332 30 A 4.2301 8.7636 131.3637 55.1440 18.6029 177.7046 31 H 4.5278 7.2124 111.6256 54.8968 29.3699 173.7641 32 P 4.6160 0.0000 0.0000 61.2330 32.2446 174.3574 33 P 4.4565 0.0000 0.0000 62.5898 31.7389 176.5586 34 R 4.1549 8.4919 118.9930 56.6246 30.6415 175.9271 35 F 4.9547 8.6163 121.9925 56.2423 42.5541 174.4289 36 S 4.4734 7.0275 120.2225 55.3246 65.4782 173.0600 37 P 4.3582 0.0000 0.0000 65.7880 30.9712 177.4418 38 E 3.8145 8.0169 117.3495 57.4869 30.1122 176.2580 39 D 4.0508 8.0902 116.9173 54.4664 39.7283 170.9689 40 P 4.1320 0.0000 0.0000 63.8113 32.5295 177.0321 41 Y 4.0989 8.4914 118.4265 58.4782 35.7759 171.2699 42 G 4.0323 7.9100 109.1041 47.3345 0.0000 175.9244 43 E 3.9911 8.1487 120.3533 59.2966 29.4754 178.5893 44 Y 3.9964 8.0980 119.0961 60.6674 38.9312 177.7615 45 R 3.4976 8.6170 120.0301 59.5497 30.0981 178.7676 46 R 3.5598 7.8301 117.5789 58.7668 29.5420 179.1914 47 R 3.8619 7.4964 118.2272 59.0894 30.1507 179.1300 48 W 4.2045 7.4229 116.5081 59.2566 28.1965 178.2786 49 K 3.9220 7.3092 120.6801 59.3219 31.4859 178.8972 50 R 3.8841 8.4454 118.9057 59.4348 30.0232 178.1846 51 E 3.9127 7.8828 118.6099 59.2260 29.4055 178.6870 52 V 3.6471 7.9567 118.1728 66.4867 31.7354 178.0498 53 L 4.2158 7.9934 117.1488 55.3060 42.0596 177.1473 54 G 3.7728 8.1273 105.7131 46.5045 0.0000 173.4413 55 I 4.0378 7.9593 124.6326 61.0947 37.3347 176.1856 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 4 R 8.25 4.32 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 5 I 8.30 3.95 1.93 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 1.39 0.74 1.10 0.00 0.00 6 R 8.89 5.39 0.00 1.88 1.87 0.00 3.12 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 7 K 8.69 4.76 0.00 1.21 0.77 0.00 1.15 0.00 0.00 1.34 0.00 0.00 2.19 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.04 1.18 7.81 8 C 8.53 4.62 0.00 2.99 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 9 P 0.00 4.14 0.00 2.05 2.09 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 10 K 7.98 4.34 0.00 1.66 1.66 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.37 7.81 11 C 8.76 3.70 0.00 3.27 3.41 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 12 G 7.89 4.41 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 0.00 13 R 7.51 4.07 0.00 1.98 1.78 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 14 Y 8.50 4.89 0.00 2.89 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 15 T 8.98 4.59 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 1.25 0.00 0.00 16 L 8.55 4.55 0.00 1.68 1.71 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.04 4.30 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 18 E 8.92 4.16 0.00 1.89 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 2.40 2.30 0.00 19 V 7.48 4.61 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 0.67 0.00 0.00 0.93 0.00 0.00 20 C 8.68 4.21 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.69 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 22 V 7.90 3.82 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 0.82 0.00 0.00 0.93 0.00 0.00 23 C 7.97 4.57 0.00 3.10 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.57 4.21 0.00 1.87 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 0.00 2.31 2.44 0.00 26 K 8.66 4.62 0.00 1.62 1.73 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 27 T 8.96 4.78 4.32 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 1.20 0.00 0.00 28 K 8.50 4.73 0.00 1.84 1.87 0.00 1.16 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.37 7.81 29 V 8.40 4.03 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 1.02 0.00 0.00 0.96 0.00 0.00 30 A 8.76 4.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.21 4.53 0.00 3.21 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.62 0.00 2.22 2.09 0.00 3.86 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 2.04 1.99 0.00 33 P 0.00 4.46 0.00 2.30 2.18 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 34 R 8.49 4.15 0.00 1.88 1.97 0.00 3.36 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 35 F 8.62 4.95 0.00 2.94 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 36 S 7.03 4.47 0.00 3.94 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 37 P 0.00 4.36 0.00 2.20 2.33 0.00 3.66 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 1.93 2.01 0.00 38 E 8.02 3.81 0.00 1.81 1.94 0.00 0.00 0.00 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 39 D 8.09 4.05 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.13 0.00 1.45 1.41 0.00 3.61 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 41 Y 8.49 4.10 0.00 3.32 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 42 G 7.91 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 43 E 8.15 3.99 0.00 2.06 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 2.41 2.32 0.00 44 Y 8.10 4.00 0.00 3.23 3.29 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 0.00 0.00 0.00 45 R 8.62 3.50 0.00 2.08 1.98 0.00 3.19 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.61 0.00 46 R 7.83 3.56 0.00 1.91 1.82 0.00 3.12 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 47 R 7.50 3.86 0.00 1.80 1.86 0.00 3.04 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 48 W 7.42 4.20 0.00 3.34 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 49 K 7.31 3.92 0.00 0.80 1.50 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.28 1.32 7.81 50 R 8.45 3.88 0.00 1.98 1.94 0.00 3.14 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 51 E 7.88 3.91 0.00 2.13 2.23 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 2.35 2.41 0.00 52 V 7.96 3.65 2.27 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 0.98 0.00 0.00 1.17 0.00 0.00 53 L 7.99 4.22 0.00 1.67 1.71 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.96 4.04 1.85 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 1.15 0.67 0.89 0.00 0.00