NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4209 0.0000 0.0000 61.9578 32.6584 176.2302 2 K 4.0450 8.5200 120.8481 55.9326 32.6525 175.5303 3 I 3.9258 9.1838 124.6104 61.3130 38.6279 175.5388 4 K 4.3535 8.5057 124.5165 55.4643 32.7789 176.7332 5 T 4.1554 8.4296 114.9884 61.0721 69.6690 175.8234 6 V 3.8612 8.4583 126.4919 62.4768 29.1545 176.2403 7 R 3.8908 8.3075 122.7779 59.0985 29.6928 177.9704 8 G 4.0302 8.0181 104.2049 48.0352 0.0000 175.2915 9 A 4.2245 8.1766 123.4058 54.6350 18.3014 179.1663 10 A 4.3304 7.8864 115.6305 53.5220 18.3375 177.9014 11 K 4.5711 7.4851 115.2141 56.3165 32.6879 176.9905 12 R 4.4669 8.4543 115.4786 55.7310 32.0517 174.2032 13 F 4.9048 7.5490 115.4008 56.6473 43.3265 174.5015 14 K 4.4828 9.1965 114.4343 55.2337 34.8453 172.5796 15 K 3.5422 9.0087 125.7519 56.8898 32.5561 176.0568 16 T 4.4072 8.9413 119.4989 60.4272 71.1859 173.9671 17 G 4.0247 8.7767 109.0216 48.6858 0.0000 173.0796 18 K 4.3537 7.3774 119.4474 55.4613 34.1048 175.7988 19 G 3.9022 9.0950 105.6322 49.1370 0.0000 173.6625 20 G 4.1496 7.6744 109.6365 44.8861 0.0000 173.5893 21 F 4.5305 8.6815 116.1154 54.6655 41.7202 171.9803 22 K 4.1577 8.5653 127.8915 55.8982 33.6381 173.9599 23 H 4.8761 9.3160 123.3580 54.5838 29.3663 172.2067 24 K 4.6198 8.4765 118.7233 54.5523 35.0583 176.2768 25 H 4.3924 8.7301 122.4559 56.0091 29.0606 175.0017 26 A 4.5354 8.2918 124.5210 52.0038 21.1666 177.5003 27 N 4.2809 8.8206 113.5914 54.2148 36.5647 174.8416 28 L 4.8368 6.9059 117.8024 53.5728 42.0466 176.1174 29 R 4.5931 7.1425 106.4612 55.7171 30.6469 173.8645 30 H 4.2987 8.8450 114.7992 58.2984 32.3556 173.8740 31 I 3.2709 8.3565 119.5062 62.2773 35.6125 172.5720 32 L 4.5263 7.5922 123.8933 55.2956 43.9270 178.6126 33 T 3.8410 8.1249 112.5900 64.6451 67.2479 174.2433 34 K 4.6146 7.7261 119.1752 56.3738 33.1078 176.3701 35 K 4.4559 7.8736 117.0697 54.4070 36.1665 176.8685 36 A 3.9433 8.7171 124.6908 52.8849 19.0065 178.2699 37 T 3.8235 8.7243 115.9289 65.5251 68.2330 176.1977 38 K 3.8438 7.8667 120.7996 59.1488 32.5393 177.9786 39 R 3.9722 7.9104 118.5590 59.7703 29.4289 178.4072 40 K 3.9996 8.0808 117.8725 59.3252 31.8829 179.2351 41 R 3.9576 8.1444 118.1511 58.8551 29.9939 177.0309 42 H 4.7924 7.6978 113.2046 56.1103 29.4348 175.4866 43 L 4.4754 8.8241 121.2253 55.7511 42.6605 178.3017 44 R 4.1289 8.1017 117.5233 57.7942 30.2619 175.3176 45 P 4.4890 0.0000 0.0000 62.6627 32.1008 175.0416 46 K 4.6644 8.2508 117.6674 54.9117 33.8505 175.9363 47 A 4.8093 7.6904 124.0867 50.0961 22.6948 175.6908 48 M 4.7625 8.5569 119.2269 54.8302 33.4900 176.8722 49 V 3.9845 8.4647 113.4954 61.3112 32.4102 177.7996 50 S 4.1563 8.7893 115.7387 58.8400 62.5962 176.1646 51 K 3.8454 7.9862 120.0232 57.4617 32.3153 176.0831 52 G 3.8789 8.3095 106.0596 47.3527 0.0000 174.4455 53 D 4.7457 7.5542 117.1949 53.6822 42.4621 177.8546 54 L 3.9068 8.2496 121.7950 58.3289 41.5893 178.6179 55 G 3.9216 8.0825 103.4550 48.0468 0.0000 174.7606 56 L 4.0393 7.7713 121.7007 57.4038 41.6197 179.5135 57 V 3.0576 7.5466 117.3495 65.8771 31.4955 178.4847 58 I 4.0884 7.2047 118.1565 60.2786 36.0360 176.3000 59 A 4.6057 7.4988 119.5144 52.8664 25.0033 177.6480 60 C 4.4171 8.1488 113.1637 60.2565 29.7054 173.4520 61 L 5.2815 7.1922 118.4860 52.2373 41.5197 175.2808 62 P 4.1141 0.0000 0.0000 65.4647 31.9372 177.4487 63 Y 4.4512 7.9426 113.0959 57.6216 38.0795 175.3305 64 A 4.3284 8.1727 129.6062 52.5542 18.6525 178.1692 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 P 0.00 4.42 0.00 2.21 2.13 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 1.90 2.01 0.00 2 K 8.52 4.04 0.00 1.89 1.96 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.54 7.81 3 I 9.18 3.93 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.95 0.00 0.00 4 K 8.51 4.35 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 5 T 8.43 4.16 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 1.39 0.00 0.00 6 V 8.46 3.86 2.14 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 0.96 0.00 0.00 0.92 0.00 0.00 7 R 8.31 3.89 0.00 1.95 1.97 0.00 3.37 0.00 0.00 3.39 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 8 G 8.02 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 9 A 8.18 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.89 4.33 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.57 0.00 1.90 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.60 7.81 12 R 8.45 4.47 0.00 1.03 1.41 0.00 3.18 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 13 F 7.55 4.90 0.00 2.91 2.96 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 14 K 9.20 4.48 0.00 1.89 1.73 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.47 7.81 15 K 9.01 3.54 0.00 1.60 1.60 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 0.37 7.81 16 T 8.94 4.41 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 1.29 0.00 0.00 17 G 8.78 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 18 K 7.38 4.35 0.00 1.71 1.67 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.36 7.81 19 G 9.09 3.90 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 0.00 0.00 0.00 20 G 7.67 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 0.00 0.00 0.00 21 F 8.68 4.53 0.00 3.25 3.35 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 22 K 8.57 4.16 0.00 1.91 1.84 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.52 7.81 23 H 9.32 4.88 0.00 3.05 3.12 0.00 5.45 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.48 4.62 0.00 1.61 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.35 7.81 25 H 8.73 4.39 0.00 3.38 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.29 4.54 1.27 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 0.00 0.00 0.00 27 N 8.82 4.28 0.00 2.86 2.91 0.00 0.00 6.52 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 6.91 4.84 0.00 1.72 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.14 4.59 0.00 1.89 1.92 0.00 3.15 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 30 H 8.84 4.30 0.00 3.06 3.13 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.36 3.27 1.86 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 1.41 0.84 0.84 0.00 0.00 32 L 7.59 4.53 0.00 1.73 1.67 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.12 3.84 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 34 K 7.73 4.61 0.00 1.89 1.86 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.44 7.81 35 K 7.87 4.46 0.00 1.89 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.35 7.81 36 A 8.72 3.94 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 37 T 8.72 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 38 K 7.87 3.84 0.00 1.73 1.82 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.23 1.31 7.81 39 R 7.91 3.97 0.00 1.87 2.11 0.00 3.21 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 40 K 8.08 4.00 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.67 7.81 41 R 8.14 3.96 0.00 1.97 2.21 0.00 3.26 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 42 H 7.70 4.79 0.00 3.25 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.82 4.48 0.00 1.72 1.73 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.10 4.13 0.00 1.79 2.02 0.00 3.22 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 1.65 1.72 0.00 45 P 0.00 4.49 0.00 2.18 2.07 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 46 K 8.25 4.66 0.00 1.62 1.95 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.35 7.81 47 A 7.69 4.81 1.06 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 0.00 0.00 48 M 8.56 4.76 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 49 V 8.46 3.98 2.18 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 1.11 0.00 0.00 1.15 0.00 0.00 50 S 8.79 4.16 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 3.85 0.00 1.94 1.96 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.44 7.81 52 G 8.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.55 4.75 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.25 3.91 0.00 1.79 1.72 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.08 3.92 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 0.00 0.00 0.00 56 L 7.77 4.04 0.00 1.91 1.63 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.55 3.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 0.59 0.00 0.00 58 I 7.20 4.09 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.80 1.02 0.00 0.00 59 A 7.50 4.61 1.21 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 0.00 0.00 60 C 8.15 4.42 0.00 2.83 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 61 L 7.19 5.28 0.00 1.67 1.60 0.73 1.07 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 62 P 0.00 4.11 0.00 1.96 2.01 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 63 Y 7.94 4.45 0.00 3.00 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 64 A 8.17 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00