NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4879 8.1633 118.3290 55.3745 33.7696 173.4529 2 Q 4.7595 8.2766 117.7625 52.5535 31.1516 173.4371 3 I 4.6130 8.9183 117.3885 59.0869 41.6723 174.3743 4 F 4.9431 8.6363 123.5117 56.3073 40.1101 175.0342 5 V 4.5888 8.8153 125.3242 60.1671 33.6912 174.8990 6 K 4.9566 9.2978 126.2790 54.9425 34.2776 175.9262 7 T 4.9569 8.9077 124.7410 62.1170 69.7451 175.5938 8 L 3.8538 8.6702 124.3230 58.8701 41.8488 177.8587 9 T 4.0236 7.7781 109.1270 62.7031 67.3787 174.6685 10 G 3.9111 8.3425 109.0971 45.5220 0.0000 173.4367 11 K 4.0983 7.8786 122.0107 56.6358 33.3340 175.4775 12 T 5.1393 8.5557 124.2277 62.1330 70.1686 173.9721 13 I 4.6694 8.9000 127.3562 59.7425 41.1227 174.5426 14 T 4.6432 8.4409 122.5301 61.9117 70.1799 173.6985 15 L 4.7008 8.3791 128.2937 53.0181 44.9170 174.6766 16 E 4.5643 8.7219 124.6627 55.2822 30.6109 175.4460 17 V 4.5880 8.0783 116.9629 59.6808 36.5235 174.6622 18 E 4.6527 9.1893 121.1997 54.3471 30.7362 176.3408 19 P 4.2282 0.0000 0.0000 65.6748 31.5089 177.8411 20 S 5.0102 7.9137 112.8220 58.2127 62.8400 173.1716 21 D 4.6944 7.9533 122.3425 53.5079 41.7375 176.3653 22 T 4.4591 8.1816 113.4053 60.9271 70.2041 175.6847 23 I 3.7578 8.6207 124.8252 64.5596 36.9833 178.6556 24 E 3.9502 8.1480 118.1940 59.5049 29.4555 178.6564 25 N 4.3326 8.2464 118.0794 56.1072 39.0461 177.0734 26 V 3.5746 7.6533 119.3545 65.9756 31.6501 177.9979 27 K 4.1087 8.3277 118.1343 59.4454 31.8312 179.1986 28 A 3.9984 7.9463 121.0955 55.1040 18.2251 179.8891 29 K 3.9934 8.1138 117.0676 59.5561 32.0548 179.7042 30 I 3.7578 7.6598 120.1512 64.0882 36.9518 177.9734 31 Q 4.1697 8.1966 121.4332 57.6775 28.6154 177.3438 32 D 4.3427 7.5155 118.1235 57.5297 41.5327 177.5600 33 K 4.1628 8.1277 118.5935 58.8403 32.1791 178.7078 34 E 4.2181 7.8516 120.9595 57.5952 29.9888 178.1332 35 G 4.4564 8.1097 105.7279 46.1830 0.0000 172.9585 36 I 3.9904 7.6864 121.4653 59.3171 37.7316 173.7915 37 P 4.3144 0.0000 0.0000 62.1876 31.4242 175.6621 38 P 4.3153 0.0000 0.0000 65.1876 31.6578 177.5170 39 D 4.4639 8.1222 118.3932 56.5056 39.3876 177.7007 40 Q 4.0617 7.8639 119.0221 57.2548 29.1106 175.4241 41 Q 4.2749 8.1149 119.8979 56.1320 29.5965 175.4481 42 R 4.5434 9.1294 128.6003 54.6618 32.4486 174.4471 43 L 5.1219 8.4909 126.8202 53.3417 43.8415 175.3508 44 I 4.9367 8.9666 125.6184 59.4022 40.1588 174.6801 45 F 4.9632 9.1327 128.4982 57.0192 42.5785 174.4488 46 A 3.5080 9.2907 126.9670 52.8886 15.8624 177.9420 47 G 3.9151 8.4688 105.5701 46.0713 0.0000 173.8156 48 K 4.6002 7.8729 121.3854 54.0440 34.5800 174.8541 49 Q 4.6451 8.4635 123.7750 55.9143 29.8265 175.3505 50 L 4.1059 8.6543 123.3719 54.4650 42.0407 176.9392 51 E 4.4812 9.3945 124.8086 55.6111 30.2841 177.1453 52 D 4.4386 8.8711 121.1675 56.6487 40.0781 177.9686 53 G 3.9970 7.7927 108.4572 44.4176 0.0000 173.4272 54 R 4.7328 7.4942 116.7227 54.5612 34.8958 175.6428 55 T 5.1374 8.8941 111.2379 58.9481 71.4775 175.5155 56 L 4.0715 7.9318 120.3183 58.1123 41.6278 179.8617 57 S 4.4034 8.0078 113.2218 60.3805 63.3867 176.0371 58 D 4.2355 7.8470 120.0894 57.5302 40.4463 177.0502 59 Y 4.4447 7.9898 112.4180 57.2163 38.4748 174.9349 60 N 4.2460 7.7795 116.4329 53.9330 36.5108 175.1860 61 I 3.8427 7.7722 118.3034 61.7251 37.8509 176.9092 62 Q 4.2386 8.6997 124.6972 54.8764 29.3832 176.0130 63 K 3.8126 8.6081 120.7546 58.3391 32.9195 176.7309 64 E 3.9292 8.1758 124.0106 57.3144 27.0261 173.9778 65 S 4.6815 7.6276 113.6314 57.9757 66.3038 174.0508 66 T 4.8332 8.5837 116.7096 62.5610 68.9255 174.4935 67 L 4.7531 8.8360 127.8644 53.5031 44.1588 175.7188 68 H 4.8395 9.2636 121.6901 54.8294 30.4621 174.1917 69 L 4.9527 9.0572 127.5989 53.8938 43.3116 175.2875 70 V 4.9337 8.7936 120.6744 59.9305 36.1274 173.3873 71 L 4.9601 8.4780 122.3133 53.1365 43.9741 175.3245 72 R 4.6962 8.1832 111.9918 54.6294 32.2286 174.4103 73 L 4.1767 8.2096 120.9603 57.4156 42.7814 176.7789 74 R 4.1456 7.7961 117.5239 55.9337 30.5045 176.9675 75 G 3.9017 8.7088 111.6988 46.4156 0.0000 173.6693 76 G 3.7167 7.7336 113.1658 46.0170 0.0000 172.6928 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 M 8.16 4.49 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 2 Q 8.28 4.76 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 3 I 8.92 4.61 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.03 0.80 0.00 0.00 4 F 8.64 4.94 0.00 3.13 3.02 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 5 V 8.82 4.59 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 0.96 0.00 0.00 0.94 0.00 0.00 6 K 9.30 4.96 0.00 1.80 1.61 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.36 7.81 7 T 8.91 4.96 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 1.21 0.00 0.00 8 L 8.67 3.85 0.00 1.58 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.02 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 1.23 0.00 0.00 10 G 8.34 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.10 0.00 1.86 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.48 7.81 12 T 8.56 5.14 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 1.38 0.00 0.00 13 I 8.90 4.67 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.89 0.00 0.00 14 T 8.44 4.64 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 0.40 0.00 0.00 15 L 8.38 4.70 0.00 1.58 1.40 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.56 0.00 1.95 1.89 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 2.17 2.23 0.00 17 V 8.08 4.59 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 0.67 0.00 0.00 0.91 0.00 0.00 18 E 9.19 4.65 0.00 1.99 1.84 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 2.25 2.38 0.00 19 P 0.00 4.23 0.00 2.21 2.31 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 20 S 7.91 5.01 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.69 0.00 2.92 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.46 4.42 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 1.26 0.00 0.00 23 I 8.62 3.76 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.05 0.92 0.00 0.00 24 E 8.15 3.95 0.00 2.20 2.22 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 2.57 2.38 0.00 25 N 8.25 4.33 0.00 2.88 2.96 0.00 0.00 7.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.65 3.57 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 0.97 0.00 0.00 0.98 0.00 0.00 27 K 8.33 4.11 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.67 7.81 28 A 7.95 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.99 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.73 7.81 30 I 7.66 3.76 2.00 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 1.38 0.78 0.90 0.00 0.00 31 Q 8.20 4.17 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 32 D 7.52 4.34 0.00 2.72 2.77 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 33 K 8.13 4.16 0.00 1.75 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.64 7.81 34 E 7.85 4.22 0.00 2.04 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 2.30 2.31 0.00 35 G 8.11 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.53 2.19 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 38 P 0.00 4.32 0.00 2.20 2.23 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 39 D 8.12 4.46 0.00 2.81 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 40 Q 7.86 4.06 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 41 Q 8.11 4.27 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 42 R 9.13 4.54 0.00 1.89 2.02 0.00 3.30 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 L 8.49 5.12 0.00 1.60 1.53 0.94 0.86 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 44 I 8.97 4.94 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.89 0.00 0.00 45 F 9.13 4.96 0.00 2.85 2.65 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 0.00 0.00 0.00 0.00 46 A 9.29 3.51 0.86 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 0.00 0.00 47 G 8.47 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 48 K 7.87 4.60 0.00 1.84 1.76 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.47 7.81 49 Q 8.46 4.65 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 50 L 8.65 4.11 0.00 1.46 1.59 0.77 0.06 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 51 E 9.39 4.48 0.00 1.95 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 2.41 2.40 0.00 52 D 8.87 4.44 0.00 2.80 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 0.00 0.00 0.00 54 R 7.49 4.73 0.00 2.11 1.77 0.00 2.84 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 55 T 8.89 5.14 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 1.25 0.00 0.00 56 L 7.93 4.07 0.00 1.60 1.75 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.01 4.40 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.85 4.24 0.00 2.85 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 0.00 0.00 0.00 0.00 59 Y 7.99 4.44 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.78 4.25 0.00 2.93 2.97 0.00 0.00 6.97 7.35 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 61 I 7.77 3.84 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.65 0.66 0.00 0.00 62 Q 8.70 4.24 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 63 K 8.61 3.81 0.00 1.89 1.88 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.51 7.81 64 E 8.18 3.93 0.00 2.36 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 65 S 7.63 4.68 0.00 4.11 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 0.00 66 T 8.58 4.83 4.38 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 1.29 0.00 0.00 67 L 8.84 4.75 0.00 1.60 1.55 0.53 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.26 4.84 0.00 3.28 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.06 4.95 0.00 1.70 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.79 4.93 2.10 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 0.81 0.00 0.00 0.99 0.00 0.00 71 L 8.48 4.96 0.00 1.56 1.58 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.18 4.70 0.00 1.88 1.84 0.00 3.20 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 73 L 8.21 4.18 0.00 1.61 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.80 4.15 0.00 1.85 1.86 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 8.71 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 76 G 7.73 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00