NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0294 8.0549 120.4072 62.0585 32.9795 171.9061 2 D 4.2329 8.0473 128.9910 53.6775 38.7314 172.6159 3 M 4.3163 8.7549 123.6892 56.0251 33.2523 177.0190 4 S 4.4035 7.9400 113.5666 59.1628 63.1628 174.0348 5 N 4.9435 8.0426 115.3831 52.1120 37.5370 173.8746 6 V 4.6456 7.4452 118.6530 60.2440 33.1208 176.1566 7 V 3.8599 8.3491 118.0399 63.7366 32.4101 176.6916 8 K 4.1832 7.4757 118.0343 55.7101 35.3633 173.9522 9 T 4.9983 8.4426 123.6455 62.0533 70.9218 173.1460 10 Y 4.6514 9.5802 124.4052 56.2799 40.7214 174.0646 11 D 5.0168 8.7542 124.0456 52.7233 43.0247 175.4456 12 L 4.7282 9.1802 126.7866 54.2449 42.7642 178.1699 13 Q 3.9911 8.5648 122.5317 58.1742 29.1354 176.5994 14 D 4.4665 7.7819 115.4640 54.7129 42.1192 176.2991 15 G 4.0367 8.2306 107.4088 45.8146 0.0000 174.1768 16 S 4.7102 7.5155 115.6126 58.5560 64.3109 173.5414 17 K 5.0010 9.5882 120.8363 54.8036 36.1991 175.7548 18 V 4.8890 9.1891 122.7964 61.4913 35.2608 173.9744 19 H 5.3189 8.9667 122.3042 54.0184 32.9001 172.4806 20 V 4.4475 8.6765 123.9854 61.8969 32.6160 175.2141 21 F 4.9673 9.6380 127.5341 56.3879 40.4133 177.3973 22 K 4.1100 9.7689 121.5564 58.6198 31.9391 177.6872 23 D 4.5391 8.1878 116.9354 54.2669 41.4916 176.7048 24 G 4.0151 8.5836 107.4040 45.6606 0.0000 173.6936 25 K 4.5999 7.7309 118.8160 55.8429 34.7690 175.1633 26 M 6.2300 8.0523 118.5825 53.4315 36.1317 175.3367 27 G 4.5039 9.1731 108.2600 44.7210 0.0000 171.0472 28 M 5.3459 8.7326 122.9450 53.6573 35.4998 174.0633 29 E 5.3085 9.5523 124.4183 54.6408 34.4911 175.2873 30 N 5.1321 9.3685 119.8298 50.6692 38.8153 176.2400 31 K 4.2643 8.4414 114.9340 57.7366 32.2196 177.0152 32 F 4.6976 8.1398 115.8869 57.2048 39.8977 175.4220 33 G 3.9407 8.9008 108.7624 46.0632 0.0000 173.5668 34 K 4.6576 8.6199 119.0074 54.0489 34.4198 175.7131 35 S 5.0845 8.6144 119.8012 58.6487 63.3854 173.4402 36 M 5.0289 9.1247 121.8176 53.3751 34.3715 174.5028 37 N 4.5353 8.7349 118.1667 53.2250 38.4646 173.9916 38 M 4.2793 8.5062 121.7066 53.7758 33.4116 173.9399 39 P 4.3247 0.0000 0.0000 62.2412 31.9558 175.5720 40 E 4.8538 8.0093 124.2313 56.9990 30.1523 176.8718 41 G 3.9211 8.9816 113.5513 44.8072 0.0000 172.9968 42 K 4.5557 7.4772 119.1440 54.7609 33.8664 175.8946 43 V 4.3883 8.2677 125.3085 61.0532 32.7220 175.2978 44 M 4.9271 9.4165 123.6644 53.5821 36.6111 174.3442 45 E 5.1979 8.6177 119.3764 55.2267 33.0684 175.0144 46 T 5.1983 8.1418 111.4251 59.5956 71.7215 175.5986 47 R 4.0161 8.9035 118.8235 58.5284 29.5199 177.2110 48 D 4.4501 8.0292 116.7045 54.7056 41.6900 176.6933 49 G 4.0517 8.0119 106.4947 45.7335 0.0000 173.2239 50 T 4.5829 8.1641 116.2002 61.8521 71.1246 173.8167 51 K 5.2249 8.3927 122.5969 54.7103 35.4715 175.2698 52 I 5.8129 8.7655 116.8686 58.7059 41.6326 173.7896 53 I 4.8610 8.4720 120.8760 60.8260 41.7586 172.5807 54 M 4.9492 8.6206 127.6496 53.9811 33.9827 174.7512 55 K 4.7503 8.5265 126.7777 55.7072 35.4476 176.1572 56 G 4.0412 8.9868 114.4471 46.9085 0.0000 173.7063 57 N 4.2398 8.5551 114.0828 53.6022 38.0240 172.4016 58 E 4.8943 7.9065 116.6740 54.8810 33.3851 174.3681 59 I 5.0552 8.0522 119.8148 59.8954 40.6995 175.2587 60 F 4.3645 9.8191 130.9666 57.7047 40.7069 174.2430 61 R 3.9098 8.2833 127.7945 54.2753 31.2928 174.4060 62 L 2.8920 8.2831 123.8003 55.4083 40.7911 175.1740 63 D 4.6426 6.7415 125.1633 56.4754 41.4380 175.7941 64 E 4.0617 7.6949 116.3716 58.4544 29.3284 178.7759 65 A 3.9823 7.8181 120.8218 54.5342 18.2411 179.0784 66 L 4.0800 7.7057 116.9051 57.4221 42.0293 178.5512 67 R 4.0797 7.9723 118.0690 58.3275 30.0416 176.7761 68 K 4.6376 8.3709 115.1260 56.4853 33.6628 176.4093 69 G 4.1636 7.9801 105.6655 45.4322 0.0000 173.8388 70 H 4.5159 8.1535 117.8471 54.9407 28.4514 175.0905 71 S 4.4672 8.4614 120.2718 57.0725 64.9572 172.1574 72 E 3.6131 9.0177 123.2305 56.3064 28.2028 173.3359 73 G 4.1054 9.2538 114.4438 43.4029 0.0000 171.9103 74 G 3.4514 9.4130 110.8495 45.5371 0.0000 172.8452 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 V 8.05 4.03 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 0.78 0.00 0.00 1.04 0.00 0.00 2 D 8.05 4.23 0.00 3.24 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 8.75 4.32 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 4 S 7.94 4.40 0.00 3.83 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 5 N 8.04 4.94 0.00 3.11 3.07 0.00 0.00 6.68 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.45 4.65 1.58 0.00 0.00 0.00 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 0.57 0.00 0.00 7 V 8.35 3.86 2.04 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 0.58 0.00 0.00 0.92 0.00 0.00 8 K 7.48 4.18 0.00 1.68 1.43 0.00 1.36 0.00 0.00 1.63 0.00 0.00 2.56 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.95 0.98 7.81 9 T 8.44 5.00 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 1.32 0.00 0.00 10 Y 9.58 4.65 0.00 2.75 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 11 D 8.75 5.02 0.00 2.74 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 12 L 9.18 4.73 0.00 1.83 1.56 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.56 3.99 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 D 7.78 4.47 0.00 2.64 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 15 G 8.23 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 0.00 0.00 0.00 16 S 7.52 4.71 0.00 3.76 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 0.00 17 K 9.59 5.00 0.00 1.60 1.66 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 18 V 9.19 4.89 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 1.03 0.00 0.00 0.94 0.00 0.00 19 H 8.97 5.32 0.00 2.25 2.53 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 20 V 8.68 4.45 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 1.06 0.00 0.00 1.00 0.00 0.00 21 F 9.64 4.97 0.00 3.21 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 22 K 9.77 4.11 0.00 1.75 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 23 D 8.19 4.54 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 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 K 7.73 4.60 0.00 1.76 1.80 0.00 1.51 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.54 7.81 26 M 8.05 6.23 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 27 G 9.17 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.73 5.35 0.00 2.32 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 29 E 9.55 5.31 0.00 1.90 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 2.27 2.30 0.00 30 N 9.37 5.13 0.00 2.96 3.04 0.00 0.00 6.97 7.07 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 31 K 8.44 4.26 0.00 1.51 1.84 0.00 0.82 0.00 0.00 2.49 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.28 0.53 7.81 32 F 8.14 4.70 0.00 3.19 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 33 G 8.90 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 34 K 8.62 4.66 0.00 1.98 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.56 7.81 35 S 8.61 5.08 0.00 3.79 3.85 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 0.00 0.00 0.00 36 M 9.12 5.03 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 37 N 8.73 4.54 0.00 2.74 2.88 0.00 0.00 6.01 7.67 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 38 M 8.51 4.28 0.00 2.03 2.04 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 2.56 2.57 0.00 39 P 0.00 4.32 0.00 2.21 1.97 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 40 E 8.01 4.85 0.00 1.93 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 2.28 2.46 0.00 41 G 8.98 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 42 K 7.48 4.56 0.00 1.88 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 43 V 8.27 4.39 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 0.72 0.00 0.00 0.95 0.00 0.00 44 M 9.42 4.93 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 45 E 8.62 5.20 0.00 1.89 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 2.30 2.27 0.00 46 T 8.14 5.20 4.53 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 1.01 0.00 0.00 47 R 8.90 4.02 0.00 1.94 2.12 0.00 3.06 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 48 D 8.03 4.45 0.00 2.69 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 49 G 8.01 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 0.00 0.00 0.00 50 T 8.16 4.58 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 1.13 0.00 0.00 51 K 8.39 5.22 0.00 1.82 1.81 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 52 I 8.77 5.81 1.86 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.68 0.39 0.00 0.00 53 I 8.47 4.86 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.63 0.48 0.00 0.00 54 M 8.62 4.95 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 55 K 8.53 4.75 0.00 1.83 1.58 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 G 8.99 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 0.00 0.00 0.00 57 N 8.56 4.24 0.00 2.89 2.96 0.00 0.00 7.12 7.67 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 58 E 7.91 4.89 0.00 2.17 1.90 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 2.26 2.50 0.00 59 I 8.05 5.06 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.96 0.00 0.00 60 F 9.82 4.36 0.00 3.05 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 61 R 8.28 3.91 0.00 1.87 1.68 0.00 3.49 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 62 L 8.28 2.89 0.00 1.74 1.61 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 D 6.74 4.64 0.00 3.42 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.06 0.00 2.02 1.97 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 2.41 2.51 0.00 65 A 7.82 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.08 0.00 1.77 1.77 1.04 0.78 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 67 R 7.97 4.08 0.00 1.81 2.03 0.00 3.19 0.00 0.00 3.28 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 68 K 8.37 4.64 0.00 1.85 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.35 7.81 69 G 7.98 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 0.00 0.00 0.00 70 H 8.15 4.52 0.00 3.16 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.46 4.47 0.00 3.81 3.87 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 72 E 9.02 3.61 0.00 2.08 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 2.19 2.35 0.00 73 G 9.25 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 74 G 9.41 3.45 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 0.00