NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Y 5.0210 8.1449 118.3071 57.9766 39.9631 173.6929 22 I 4.2358 8.2627 121.4427 59.6074 38.9897 173.5014 23 K 4.9996 10.4808 129.6267 54.7884 34.7860 174.4822 24 L 5.0542 9.1632 127.7484 53.1531 44.8461 175.5212 25 K 4.9737 9.0312 121.8381 54.9744 34.2601 175.5496 26 V 4.6232 9.0889 126.4402 61.9216 33.1613 174.4948 27 I 4.7620 8.8352 129.8799 59.8672 38.8239 175.8476 28 G 4.1090 8.5965 114.9854 44.6775 0.0000 173.5742 29 Q 4.2259 8.5074 120.1940 57.9960 29.3650 176.3772 30 D 4.6662 8.0163 116.2430 53.2038 40.0041 176.5901 31 S 3.7353 7.6432 114.0782 60.0625 60.2833 171.7709 32 S 4.7050 7.3625 114.6813 56.6258 67.1932 174.7962 33 E 5.0510 8.7734 121.1226 54.7649 31.0725 174.8961 34 I 4.2320 8.7084 125.7438 60.4607 39.3023 174.6628 35 H 5.1223 8.5650 122.6537 55.0557 30.1929 174.5019 36 F 4.7757 9.5613 125.5522 56.1695 41.8396 174.0320 37 K 4.8114 9.1240 129.0028 56.3024 32.5363 176.1804 38 V 4.3486 9.0971 121.4124 59.2991 35.4060 174.6247 39 K 4.3524 7.9592 123.7274 54.7915 34.1762 175.7176 40 M 4.7620 8.6910 127.6695 54.4429 30.2641 175.0659 41 T 4.7529 7.5194 130.1849 62.7474 66.8095 172.4607 42 T 4.1907 7.2009 119.1932 62.5360 69.6029 174.1116 43 H 4.2524 8.6157 125.7270 56.0924 30.6181 176.1444 44 L 3.9498 8.9077 127.0883 56.9344 41.3333 179.4855 45 K 3.7221 7.9545 119.9299 59.4752 32.0498 178.3532 46 K 3.9339 7.8564 119.1631 59.4175 32.1260 178.7545 47 L 4.1087 7.7604 118.7725 57.6971 41.6687 179.4400 48 K 3.5819 8.3239 118.9147 59.3080 32.1366 179.2222 49 E 4.0298 8.0690 117.6844 59.8042 29.5847 179.3648 50 S 5.0508 8.2137 117.6603 60.8620 62.8507 176.0757 51 Y 4.2784 8.3058 122.5178 60.8154 38.5443 177.5777 52 C 4.0232 8.2366 117.6168 62.8870 28.2375 176.1138 53 Q 3.9750 8.0094 119.2685 58.9508 28.0595 178.8195 54 R 3.8979 7.5989 118.6735 59.4144 30.1360 178.3290 55 Q 4.0098 7.5259 117.4833 57.4930 28.6413 177.2254 56 G 4.1550 8.1323 107.3531 45.3001 0.0000 173.3846 57 V 4.4998 7.2198 110.7443 58.1002 35.4018 173.6738 58 P 4.4668 0.0000 0.0000 62.4213 32.1534 175.7311 59 M 4.2257 8.2051 118.4317 56.6609 32.7393 176.7003 60 N 4.7165 8.8721 117.9256 53.4484 36.7831 175.5013 61 S 4.5658 7.7111 112.4405 59.7847 64.5794 174.1835 62 L 5.3283 7.9846 118.6844 52.5407 44.8358 176.0530 63 R 4.8048 9.2237 119.0163 54.5719 32.2897 174.7370 64 F 5.1552 9.1300 121.4224 56.3160 40.9069 174.3891 65 L 5.2521 9.3657 124.6976 52.9744 44.5146 175.4069 66 F 4.8459 9.5420 126.1278 56.8049 41.8648 174.5130 67 E 3.5214 9.4535 124.1644 57.1750 26.7772 174.8845 68 G 4.1344 8.4660 108.6199 45.7326 0.0000 174.7721 69 Q 4.4230 7.9239 118.3140 54.8565 29.8158 174.9649 70 R 4.7693 8.3595 118.2675 55.8704 30.7715 176.0564 71 I 4.0529 9.1114 124.6988 60.9787 37.2830 176.0224 72 A 4.1263 8.2287 129.1831 51.5861 18.6384 177.1462 73 D 4.3463 8.6862 119.8209 57.1395 41.0915 176.8577 74 N 4.6425 7.8318 115.0549 53.6088 38.1141 174.2757 75 H 5.2501 8.0388 114.7530 55.2969 32.1192 173.3016 76 T 4.9029 8.7244 110.5389 59.1417 71.3384 173.4488 77 P 4.2041 0.0000 0.0000 64.6201 31.6534 178.8505 78 K 3.6803 7.9616 119.3920 58.5310 32.2742 176.4213 79 E 4.3460 7.5625 115.6432 55.5784 31.5506 175.4215 80 L 4.1561 8.8149 122.4676 56.2556 40.2118 176.4568 81 G 4.3557 7.9729 105.1192 46.3952 0.0000 173.8932 82 M 4.5009 7.3973 118.1368 54.8433 32.8107 176.2622 83 E 4.7911 9.2215 122.3957 53.8702 33.3703 175.0502 84 E 4.0518 8.4304 119.8601 57.5504 30.1114 176.2219 85 E 3.8403 8.7744 123.1046 57.4918 27.6449 174.2920 86 D 4.7635 7.4045 115.6715 54.1403 43.1125 174.6526 87 V 4.9440 8.3487 120.6621 60.9826 33.7769 174.2611 88 I 4.9309 9.2006 128.1326 59.3929 41.1048 173.8900 89 E 5.1494 9.2662 128.6846 54.8234 32.2011 175.2955 90 V 4.6239 7.3303 120.8221 60.2493 34.0571 174.3759 91 Y 4.8369 8.6725 121.1726 56.0205 42.7202 173.8937 92 Q 4.7565 8.6543 122.0814 55.2876 30.1960 175.3523 93 E 4.2083 9.3543 126.1521 56.1791 30.3393 178.0062 94 Q 3.9772 8.8034 123.9043 59.3709 29.4630 177.8932 95 T 3.9142 7.8169 107.2691 62.8224 68.9859 175.4203 96 G 3.8486 7.4971 110.0584 44.4131 0.0000 173.4853 97 G 4.0041 7.9070 112.6672 45.6807 0.0000 173.3148 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 21 Y 8.14 5.02 0.00 2.90 3.07 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 0.00 0.00 0.00 0.00 22 I 8.26 4.24 1.84 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 1.15 0.36 0.89 0.00 0.00 23 K 10.48 5.00 0.00 1.79 2.03 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 24 L 9.16 5.05 0.00 1.54 1.56 0.66 0.73 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 25 K 9.03 4.97 0.00 1.89 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.44 7.81 26 V 9.09 4.62 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 1.07 0.00 0.00 0.94 0.00 0.00 27 I 8.84 4.76 1.85 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 1.18 1.05 0.90 0.00 0.00 28 G 8.60 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 29 Q 8.51 4.23 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.12 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 30 D 8.02 4.67 0.00 2.81 2.72 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 31 S 7.64 3.74 0.00 3.99 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 32 S 7.36 4.71 0.00 3.82 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 33 E 8.77 5.05 0.00 1.80 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 2.19 2.29 0.00 34 I 8.71 4.23 1.85 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 1.24 0.99 0.89 0.00 0.00 35 H 8.56 5.12 0.00 3.06 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.56 4.78 0.00 2.82 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 37 K 9.12 4.81 0.00 1.93 1.84 0.00 1.95 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.60 7.81 38 V 9.10 4.35 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 0.14 0.00 0.00 0.83 0.00 0.00 39 K 7.96 4.35 0.00 1.22 1.39 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.29 1.18 7.81 40 M 8.69 4.76 0.00 2.01 1.98 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 2.55 2.57 0.00 41 T 7.52 4.75 4.22 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 0.00 0.00 1.18 0.00 0.00 42 T 7.20 4.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 43 H 8.62 4.25 0.00 3.13 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.91 3.95 0.00 1.73 1.51 0.76 0.31 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 45 K 7.95 3.72 0.00 1.82 1.69 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 46 K 7.86 3.93 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 47 L 7.76 4.11 0.00 1.65 1.48 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.32 3.58 0.00 1.73 1.64 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.15 7.81 49 E 8.07 4.03 0.00 2.25 2.23 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 2.60 2.49 0.00 50 S 8.21 5.05 0.00 4.01 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 51 Y 8.31 4.28 0.00 3.22 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.24 4.02 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.98 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 54 R 7.60 3.90 0.00 1.84 2.09 0.00 3.27 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 Q 7.53 4.01 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 5.88 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 56 G 8.13 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 57 V 7.22 4.50 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 0.71 0.00 0.00 0.85 0.00 0.00 58 P 0.00 4.47 0.00 2.18 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 59 M 8.21 4.23 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 60 N 8.87 4.72 0.00 2.95 3.03 0.00 0.00 6.97 7.59 0.00 0.00 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 S 7.71 4.57 0.00 3.97 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 62 L 7.98 5.33 0.00 1.39 1.47 0.77 0.78 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 63 R 9.22 4.80 0.00 1.92 2.44 0.00 2.83 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 64 F 9.13 5.16 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.37 5.25 0.00 1.75 1.71 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.54 4.85 0.00 3.09 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 67 E 9.45 3.52 0.00 1.97 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 1.83 1.47 0.00 68 G 8.47 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.92 4.42 0.00 2.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 70 R 8.36 4.77 0.00 1.91 2.01 0.00 3.07 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 71 I 9.11 4.05 1.95 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 1.33 0.81 0.80 0.00 0.00 72 A 8.23 4.13 0.94 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 73 D 8.69 4.35 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 4.64 0.00 2.86 2.87 0.00 0.00 5.92 7.95 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 75 H 8.04 5.25 0.00 3.32 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.72 4.90 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 1.17 0.00 0.00 77 P 0.00 4.20 0.00 2.09 1.98 0.00 3.49 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 78 K 7.96 3.68 0.00 1.64 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.45 7.81 79 E 7.56 4.35 0.00 2.03 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 2.42 2.10 0.00 80 L 8.81 4.16 0.00 1.74 2.07 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.97 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.40 4.50 0.00 1.70 2.04 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 83 E 9.22 4.79 0.00 1.92 1.87 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 2.26 2.42 0.00 84 E 8.43 4.05 0.00 2.06 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 2.38 2.40 0.00 85 E 8.77 3.84 0.00 2.20 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 0.00 2.25 2.39 0.00 86 D 7.40 4.76 0.00 3.19 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 87 V 8.35 4.94 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 0.96 0.00 0.00 0.96 0.00 0.00 88 I 9.20 4.93 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.05 1.08 0.00 0.00 89 E 9.27 5.15 0.00 2.10 1.77 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 2.26 2.28 0.00 90 V 7.33 4.62 1.71 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 0.60 0.00 0.00 0.49 0.00 0.00 91 Y 8.67 4.84 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.65 4.76 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 93 E 9.35 4.21 0.00 1.90 1.87 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 2.47 2.66 0.00 94 Q 8.80 3.98 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 95 T 7.82 3.91 4.25 0.00 0.00 0.00 0.00 0.00 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 96 G 7.50 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 0.00 0.00 0.00 97 G 7.91 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