NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0938 8.3101 121.7866 55.5878 33.3640 174.2551 20 A 3.7294 8.5200 122.6680 52.1584 18.4309 175.7175 21 K 4.2442 8.6942 123.4843 55.6417 33.6102 176.4175 22 V 3.3570 7.9265 123.8289 65.8678 31.5402 177.8129 23 K 4.0255 8.1989 119.5199 59.5051 31.4469 176.9352 24 A 3.9361 7.4621 121.1910 54.7012 18.6445 178.8189 25 T 3.9405 7.4160 110.4251 64.6183 69.6765 174.1438 26 L 5.0403 8.9671 121.8205 52.9960 46.7454 177.1927 27 G 4.1773 8.3518 118.1668 45.5953 0.0000 176.5855 28 E 4.0584 8.7336 129.6820 54.7902 28.6578 175.1062 29 F 4.9940 7.2377 118.2868 54.7255 40.7808 175.6497 30 D 4.6544 8.4849 122.6959 52.5747 39.5202 176.6869 31 L 4.1624 8.5596 124.2238 57.2528 40.5342 178.4522 32 R 4.7851 7.8586 117.4315 55.5544 30.3960 176.0800 33 D 4.4945 7.7178 120.4016 52.5658 40.3680 176.1832 34 Y 4.2895 7.3855 128.4621 56.3746 38.0231 177.0759 35 R 4.6306 8.0811 118.6632 56.6727 33.7640 175.8199 36 N 4.6588 8.0560 115.9684 52.0796 36.0127 175.5959 37 V 2.9751 8.0919 117.3394 66.0228 32.0159 176.1123 38 E 3.9116 8.6513 119.5519 59.5935 30.1965 177.9294 39 V 3.6696 7.7647 116.2722 66.3018 31.8160 177.3433 40 L 3.8720 7.8302 117.7977 56.8924 41.6411 178.8156 41 K 3.9309 9.2362 118.6104 58.5202 32.2352 176.7456 42 R 4.7126 7.8367 117.1058 56.5237 30.6881 176.7430 43 F 4.6976 8.1392 114.0127 56.8755 41.7035 175.1071 44 L 5.1334 8.3726 121.6781 55.0597 41.1229 178.7460 45 S 3.7262 6.9128 116.4415 57.8371 67.1484 174.2396 46 E 4.7220 8.9162 119.2739 55.9554 31.2649 175.4058 47 T 5.0857 7.8716 106.7247 60.5684 70.2015 175.4018 48 G 4.1090 8.5194 111.4660 45.3005 0.0000 173.8575 49 K 3.9264 8.0147 119.0648 56.6943 33.1087 175.9333 50 I 3.9037 8.5739 126.7173 61.5879 37.2694 176.2608 51 L 4.3430 8.4789 127.8050 53.9776 42.5165 175.9401 52 P 4.6104 0.0000 0.0000 62.1289 32.6413 177.6087 53 R 4.4151 8.4357 117.0540 59.0109 30.0312 179.1160 54 R 4.1388 7.9580 114.0542 57.9592 30.2320 177.0938 55 R 4.6646 8.2265 114.4639 55.8720 34.3617 176.3809 56 T 3.9970 8.2212 107.7538 62.1716 70.3116 176.3329 57 G 3.7341 8.6850 108.6257 45.1598 0.0000 173.0754 58 L 4.6577 7.6538 119.2907 53.6517 43.7326 176.5350 59 S 4.7907 8.9145 115.1739 58.3268 66.5538 172.8842 60 A 4.0969 8.1449 120.1058 54.2584 17.8935 179.1184 61 K 3.8160 8.3000 119.4503 59.0980 32.5525 177.9314 62 E 4.2468 8.2102 118.6315 58.3550 29.7478 177.9379 63 Q 3.9641 8.4530 119.4944 60.5044 29.1697 178.8227 64 R 4.1160 8.2653 119.0687 57.5340 29.4035 178.1548 65 I 3.7390 7.5759 121.9848 64.9132 37.5877 177.6418 66 L 3.9402 8.3417 121.8370 57.4495 41.8923 178.2318 67 A 4.0021 8.2230 120.3760 55.3105 18.5479 179.2253 68 K 3.8318 7.9224 117.7156 60.4182 32.1317 178.8057 69 T 3.9999 7.6503 114.9588 66.4566 68.1341 176.8681 70 I 3.6194 8.0328 121.5815 64.2875 37.4080 178.2554 71 K 4.0904 8.7340 119.4094 59.5970 31.8842 179.2356 72 R 3.8073 7.7375 117.6088 59.6613 30.0777 178.8847 73 A 4.0588 7.9457 119.6607 55.1041 17.7412 179.9180 74 R 4.2788 8.1252 118.6411 58.8800 29.7970 179.2416 75 I 3.9098 7.3619 118.4995 63.5224 37.2832 176.2812 76 L 4.4237 7.7084 119.1181 54.7696 41.9314 178.2348 77 G 3.9238 7.6274 104.5350 46.3741 0.0000 175.8051 78 L 4.0376 7.4467 119.5964 56.8777 42.3766 176.8544 79 L 4.2595 7.9527 118.6012 52.9845 42.6761 175.6724 80 P 4.6354 0.0000 0.0000 62.7371 32.2082 175.5012 81 F 4.9914 9.6306 114.5126 56.3364 41.1481 175.5763 82 T 5.3382 7.3681 119.5477 61.9318 69.0174 171.8074 83 E 4.4769 8.0357 122.0540 55.4136 31.7740 172.9104 84 K 3.5887 8.3437 120.0273 56.4725 30.1343 174.5390 85 L 3.9619 8.4141 124.5474 55.2687 42.4039 176.8635 86 V 3.7657 8.0638 122.9391 62.0822 32.5085 172.9520 87 R 3.6271 8.5739 126.1972 56.0250 29.2205 175.5938 88 K 4.1557 8.3686 124.6189 56.6158 32.5530 175.6037 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 19 K 8.31 4.09 0.00 1.70 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 20 A 8.52 3.73 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 K 8.69 4.24 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.36 7.81 22 V 7.93 3.36 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 -0.27 0.00 0.00 0.71 0.00 0.00 23 K 8.20 4.03 0.00 1.91 1.92 0.00 2.03 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 A 7.46 3.94 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 25 T 7.42 3.94 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 26 L 8.97 5.04 0.00 1.99 1.97 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.35 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 0.00 0.00 0.00 0.00 28 E 8.73 4.06 0.00 1.92 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 2.15 2.22 0.00 29 F 7.24 4.99 0.00 3.02 3.05 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 0.00 0.00 0.00 30 D 8.48 4.65 0.00 2.80 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 31 L 8.56 4.16 0.00 1.82 2.06 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.86 4.79 0.00 1.93 1.99 0.00 3.25 0.00 0.00 2.93 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 33 D 7.72 4.49 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.39 4.29 0.00 3.02 3.04 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 35 R 8.08 4.63 0.00 1.54 1.84 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 36 N 8.06 4.66 0.00 2.74 2.70 0.00 0.00 6.42 7.56 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 37 V 8.09 2.98 2.06 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 1.01 0.00 0.00 0.91 0.00 0.00 38 E 8.65 3.91 0.00 1.97 1.99 0.00 0.00 0.00 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 2.46 0.00 39 V 7.76 3.67 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 0.60 0.00 0.00 0.96 0.00 0.00 40 L 7.83 3.87 0.00 1.63 1.49 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.24 3.93 0.00 1.80 1.93 0.00 1.77 0.00 0.00 2.08 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.51 7.81 42 R 7.84 4.71 0.00 2.06 1.84 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 43 F 8.14 4.70 0.00 3.06 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 44 L 8.37 5.13 0.00 1.64 1.66 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.91 3.73 0.00 4.06 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 46 E 8.92 4.72 0.00 1.92 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 2.20 2.21 0.00 47 T 7.87 5.09 4.26 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 1.22 0.00 0.00 48 G 8.52 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.01 3.93 0.00 1.75 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.51 7.81 50 I 8.57 3.90 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.95 0.00 0.00 51 L 8.48 4.34 0.00 1.72 1.63 0.95 1.12 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 52 P 0.00 4.61 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 53 R 8.44 4.42 0.00 1.92 2.18 0.00 3.44 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 54 R 7.96 4.14 0.00 1.80 1.99 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 8.23 4.66 0.00 1.80 1.84 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 56 T 8.22 4.00 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 1.36 0.00 0.00 57 G 8.69 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 58 L 7.65 4.66 0.00 1.73 1.80 1.22 1.12 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 59 S 8.91 4.79 0.00 4.02 4.05 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 0.00 0.00 0.00 60 A 8.14 4.10 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 61 K 8.30 3.82 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 62 E 8.21 4.25 0.00 2.18 1.98 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 2.41 2.39 0.00 63 Q 8.45 3.96 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 64 R 8.27 4.12 0.00 2.08 1.81 0.00 3.22 0.00 0.00 3.18 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 65 I 7.58 3.74 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.93 0.00 0.00 66 L 8.34 3.94 0.00 1.77 1.78 0.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.22 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.92 3.83 0.00 1.90 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.58 7.81 69 T 7.65 4.00 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 1.34 0.00 0.00 70 I 8.03 3.62 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.86 0.00 0.00 71 K 8.73 4.09 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.62 7.81 72 R 7.74 3.81 0.00 2.08 1.83 0.00 3.15 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 73 A 7.95 4.06 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 74 R 8.13 4.28 0.00 1.51 1.11 0.00 3.14 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 75 I 7.36 3.91 2.01 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 1.65 0.66 0.92 0.00 0.00 76 L 7.71 4.42 0.00 1.64 1.65 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.63 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 78 L 7.45 4.04 0.00 1.81 1.64 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.95 4.26 0.00 1.57 1.44 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.64 0.00 2.26 2.06 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 81 F 9.63 4.99 0.00 3.06 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 82 T 7.37 5.34 4.31 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 1.27 0.00 0.00 83 E 8.04 4.48 0.00 2.11 2.09 0.00 0.00 0.00 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 2.28 0.00 84 K 8.34 3.59 0.00 1.90 1.87 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.36 7.81 85 L 8.41 3.96 0.00 1.69 1.60 0.98 1.00 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 86 V 8.06 3.77 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 87 R 8.57 3.63 0.00 1.96 1.91 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 88 K 8.37 4.16 0.00 1.69 1.58 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.35 7.81