NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0874 7.9133 120.6515 62.6658 33.3179 173.8491 3 K 4.6553 8.6130 126.9533 54.5676 33.5058 170.7013 4 V 4.2769 9.6820 126.5423 61.1601 33.9159 173.9845 5 K 5.1906 8.7141 127.7407 55.0463 33.7363 175.6679 6 F 5.1053 9.0839 119.0087 55.8737 42.1158 172.8278 7 K 4.9414 8.8086 118.2970 54.7722 34.2464 175.6363 8 Y 4.5700 8.7926 125.5956 56.3936 40.3152 175.5371 9 K 3.7645 9.3003 128.3422 57.5217 29.6645 176.5544 10 G 3.9406 8.4077 104.2769 45.5844 0.0000 173.5555 11 E 4.6809 7.8036 119.7402 53.9354 31.6488 175.2563 12 E 4.4595 8.6007 122.8543 56.5975 30.1770 176.1328 13 K 4.5151 8.9441 124.2904 54.6838 36.4007 174.3107 14 E 5.2062 8.3703 123.4295 54.6360 33.0054 174.5345 15 V 4.4278 8.9521 125.4727 61.0588 35.3772 174.1315 16 D 4.9037 8.6219 126.7166 53.7439 42.2854 177.1622 17 T 3.7662 8.8134 116.2623 64.5133 68.7695 176.3792 18 S 4.2669 9.3309 116.9822 60.0392 63.1899 174.8710 19 K 4.4373 8.1562 120.2478 56.5282 32.9168 176.4400 20 I 4.3759 7.3704 120.3773 61.2261 37.2472 174.0703 21 K 4.3345 8.6701 123.4454 56.0584 32.7265 176.3575 22 K 4.7899 7.6937 119.8740 55.5693 35.2065 176.1837 23 V 5.2555 8.4899 122.4261 61.3015 34.6349 174.0925 24 W 5.3058 8.9144 123.4559 55.3821 32.0123 173.2751 25 R 4.6578 8.7818 121.4744 55.9742 30.7803 176.2965 26 F 5.1353 9.2764 128.2403 56.9461 40.8441 175.7811 27 G 3.6671 8.0959 119.6540 46.3529 0.0000 173.5424 28 K 4.0256 8.2940 124.9795 57.1795 33.1266 175.9128 29 F 5.2403 7.8996 119.1518 56.1135 42.3284 174.9536 30 V 4.6671 8.9639 121.5495 61.6594 32.7633 175.0855 31 S 4.6394 8.3760 125.2523 57.7969 64.3933 173.5361 32 F 5.3110 7.6663 116.8450 55.8234 41.5481 173.1416 33 T 5.3487 9.0900 110.4342 60.5650 72.0024 172.3384 34 Y 5.3059 8.4776 119.7935 55.9172 42.2416 173.1799 35 D 4.7258 9.0635 120.9953 53.6318 41.9084 176.3737 36 D 4.7650 9.1537 128.7713 53.9253 40.4059 175.0596 37 N 4.1984 9.4278 124.5053 54.1725 37.5512 174.5526 38 G 4.0251 9.1963 105.2699 45.0523 0.0000 172.9517 39 K 4.6504 7.5743 118.2101 54.3236 35.4756 175.2780 40 T 4.3676 8.3879 118.3273 63.5050 69.0449 174.2950 41 G 3.4103 8.4959 113.8172 44.1009 0.0000 172.3051 42 R 5.0471 8.3835 120.6534 54.1746 33.3013 175.1242 43 G 3.6857 8.0146 108.4812 44.8568 0.0000 171.0364 44 A 4.9837 7.9090 119.9848 50.4070 22.4049 176.1513 45 V 4.7528 8.8313 112.9147 59.2429 36.3770 175.5125 46 S 4.4273 8.9032 118.5800 58.1463 63.2116 174.6301 47 E 3.9520 9.2586 129.0986 59.1829 29.4808 179.0426 48 K 4.1168 7.9928 116.1368 58.8759 32.7221 176.9031 49 D 4.7100 7.9996 117.9566 53.9263 41.7334 176.5435 50 A 4.1594 7.6362 123.7191 51.1452 19.1080 176.4225 51 P 4.5224 0.0000 0.0000 62.0300 33.6895 177.3953 52 K 3.7933 8.6044 119.9152 60.0052 32.0179 178.5046 53 E 3.8769 8.1125 118.8205 59.2529 29.4865 178.4295 54 L 3.9560 7.7670 119.8931 57.9324 42.2460 178.7256 55 L 4.0146 7.9030 119.1181 57.6208 41.4810 179.1647 56 D 4.3981 8.3389 119.4644 57.5317 40.6777 178.6395 57 M 4.1115 8.1691 119.3275 58.1082 31.8955 178.5335 58 L 3.9797 8.1789 120.6054 58.0618 42.2716 178.8845 59 A 4.2603 8.0164 122.0494 54.7316 18.3064 179.6145 60 R 3.8484 8.1148 117.0342 59.3835 29.9094 178.5286 61 A 4.0438 8.0798 119.9650 55.1647 18.4482 179.2535 62 E 4.0876 8.2538 116.9468 59.8344 29.4257 179.5915 63 R 4.0842 7.7213 116.5498 58.8880 30.1308 177.9897 64 E 4.5908 7.5507 114.9812 54.8385 30.2781 175.7266 65 K 4.1302 7.5599 121.4725 55.6214 32.8918 177.1093 66 K 4.0220 8.8353 124.2315 57.1820 31.9545 176.4293 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 2 V 7.91 4.09 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 0.92 0.00 0.00 0.91 0.00 0.00 3 K 8.61 4.66 0.00 1.74 1.82 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.48 7.81 4 V 9.68 4.28 1.92 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 0.87 0.00 0.00 0.70 0.00 0.00 5 K 8.71 5.19 0.00 1.72 1.90 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 6 F 9.08 5.11 0.00 3.35 3.23 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 7 K 8.81 4.94 0.00 1.72 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 8 Y 8.79 4.57 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.30 3.76 0.00 1.67 1.70 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.01 0.44 7.81 10 G 8.41 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.80 4.68 0.00 2.16 1.85 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 0.00 2.41 2.43 0.00 12 E 8.60 4.46 0.00 1.81 1.82 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 2.28 2.23 0.00 13 K 8.94 4.52 0.00 0.96 0.74 0.00 1.33 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.09 1.21 7.81 14 E 8.37 5.21 0.00 1.91 1.69 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 2.31 2.22 0.00 15 V 8.95 4.43 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.44 0.00 0.00 16 D 8.62 4.90 0.00 2.69 2.48 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 17 T 8.81 3.77 4.18 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 1.10 0.00 0.00 18 S 9.33 4.27 0.00 3.92 4.04 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 0.00 0.00 0.00 0.00 19 K 8.16 4.44 0.00 1.93 2.00 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.57 7.81 20 I 7.37 4.38 1.96 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.98 0.00 0.00 21 K 8.67 4.33 0.00 1.69 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.65 7.81 22 K 7.69 4.79 0.00 2.06 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.54 7.81 23 V 8.49 5.26 2.20 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 0.89 0.00 0.00 1.01 0.00 0.00 24 W 8.91 5.31 0.00 3.42 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 25 R 8.78 4.66 0.00 1.95 2.00 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 26 F 9.28 5.14 0.00 2.92 2.89 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 27 G 8.10 3.67 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 0.00 0.00 0.00 28 K 8.29 4.03 0.00 1.63 1.78 0.00 1.17 0.00 0.00 1.39 0.00 0.00 2.51 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.70 0.21 7.81 29 F 7.90 5.24 0.00 3.26 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 30 V 8.96 4.67 2.17 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 1.01 0.00 0.00 0.97 0.00 0.00 31 S 8.38 4.64 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.67 5.31 0.00 3.18 2.98 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 0.00 0.00 0.00 33 T 9.09 5.35 4.29 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 1.41 0.00 0.00 34 Y 8.48 5.31 0.00 3.17 3.16 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 35 D 9.06 4.73 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.15 4.76 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.43 4.20 0.00 2.83 2.79 0.00 0.00 7.55 7.98 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 38 G 9.20 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 39 K 7.57 4.65 0.00 1.86 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.34 7.81 40 T 8.39 4.37 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 1.13 0.00 0.00 41 G 8.50 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 0.00 0.00 0.00 42 R 8.38 5.05 0.00 1.69 1.72 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 43 G 8.01 3.69 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 0.00 0.00 0.00 44 A 7.91 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.83 4.75 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 0.90 0.00 0.00 1.06 0.00 0.00 46 S 8.90 4.43 0.00 3.84 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 47 E 9.26 3.95 0.00 1.98 1.91 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 2.31 2.27 0.00 48 K 7.99 4.12 0.00 1.88 1.90 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.45 7.81 49 D 8.00 4.71 0.00 2.84 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 50 A 7.64 4.16 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 51 P 0.00 4.52 0.00 2.25 2.17 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 52 K 8.60 3.79 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.69 7.81 53 E 8.11 3.88 0.00 2.09 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 2.34 2.39 0.00 54 L 7.77 3.96 0.00 1.66 1.73 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.90 4.01 0.00 1.88 1.70 0.96 1.11 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 56 D 8.34 4.40 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.17 4.11 0.00 2.08 2.23 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 2.75 2.54 0.00 58 L 8.18 3.98 0.00 1.87 1.91 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.02 4.26 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 60 R 8.11 3.85 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 61 A 8.08 4.04 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 62 E 8.25 4.09 0.00 2.23 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 2.54 0.00 63 R 7.72 4.08 0.00 1.81 2.03 0.00 3.15 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 64 E 7.55 4.59 0.00 1.92 1.95 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 2.27 2.30 0.00 65 K 7.56 4.13 0.00 1.88 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.38 7.81 66 K 8.84 4.02 0.00 1.74 1.73 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.52 7.81