NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4971 8.0393 114.0049 61.7399 33.3837 174.1815 2 R 4.5447 8.4093 117.8715 54.4272 32.8393 173.0011 3 D 4.7437 9.2446 122.5148 54.8636 42.5391 176.5795 4 A 3.5832 6.6033 120.8132 52.2318 24.4679 175.2242 5 Y 4.5988 7.7056 115.2907 56.2472 37.6728 175.4606 6 I 3.8151 7.7772 123.2015 61.2315 38.7991 174.6998 7 A 4.7279 8.0642 127.2977 51.3703 22.2301 174.9180 8 K 4.6248 8.6827 119.7048 53.7477 34.6631 174.1301 9 P 4.6823 0.0000 0.0000 62.3832 32.2381 175.4772 10 E 4.0168 8.8454 121.0519 56.1677 30.0494 175.4853 11 N 4.1795 8.6295 123.7828 54.6855 37.1489 172.8997 12 C 5.0317 8.5098 116.5427 54.8083 44.4895 174.9768 13 V 4.1979 8.0962 117.1361 61.3722 32.9537 175.5439 14 Y 4.7995 8.3941 119.0845 55.7707 39.8032 175.0993 15 E 4.6735 9.0105 122.3782 56.9557 30.5077 176.9912 16 C 5.1701 8.6893 120.9225 55.3009 46.7082 173.2446 17 G 3.9818 9.2614 106.8885 45.4027 0.0000 174.1614 18 I 4.4128 7.7100 118.3111 62.1065 39.5174 176.6219 19 T 4.1023 8.1343 108.8412 62.3499 69.9825 174.7410 20 Q 3.3596 8.0651 120.5044 56.8248 27.2944 172.6817 21 D 4.8174 7.4615 110.6404 53.5537 43.1514 177.3698 22 C 4.2366 8.5204 117.6324 59.5598 41.3616 174.9793 23 N 4.4722 8.1101 119.4715 55.8806 38.4449 176.6899 24 K 3.9482 7.8170 121.7315 58.8977 32.4838 178.3086 25 L 3.8741 7.9326 120.6313 58.3233 41.9175 178.2473 26 C 4.1967 8.6289 116.8250 60.1396 37.8884 175.9880 27 T 4.3887 7.7970 112.5223 64.5231 67.9764 175.8806 28 E 3.9433 8.1888 120.9121 59.0653 29.6144 179.0365 29 N 4.4751 8.0734 115.1305 54.8470 38.6027 175.4939 30 G 3.8465 7.5995 106.2531 44.9141 0.0000 173.8571 31 A 4.3784 8.2430 122.7874 51.3627 19.4094 178.6861 32 E 3.9227 8.6973 121.4443 59.4547 30.5963 176.2545 33 S 4.5009 7.6631 112.4460 57.9036 66.5503 173.1351 34 G 4.1280 8.2465 107.3476 46.6976 0.0000 171.8362 35 Y 5.0912 7.4650 117.9339 56.6731 41.9848 172.6246 36 C 4.8155 8.8919 117.7557 59.1109 28.9089 174.6761 37 Q 4.4249 9.4900 125.5054 55.1972 28.0985 174.5436 38 W 4.9182 8.9330 123.8819 53.7762 27.9802 174.2610 39 G 3.1693 7.7673 115.8068 45.2927 0.0000 169.4261 40 G 4.6854 8.3484 110.2616 42.3454 0.0000 172.5699 41 K 3.6489 8.6963 119.2957 59.0939 31.9016 176.9792 42 Y 4.7019 7.7239 114.0412 57.5119 38.9652 176.9007 43 G 3.8378 8.1612 108.3649 44.4233 0.0000 172.4346 44 N 5.2861 8.4857 118.9419 52.7931 38.2373 174.9431 45 A 5.0762 9.3264 124.0229 50.5491 23.5152 175.0002 46 C 4.8130 8.9870 118.7215 59.7451 28.5530 173.6396 47 W 4.5113 9.4190 135.0000 56.8980 32.2012 174.2885 48 C 4.9435 7.1658 121.7598 54.9052 44.8664 172.9236 49 I 4.5749 8.3978 123.6789 60.3320 39.3132 173.4286 50 K 4.0840 9.2436 129.7214 56.1405 29.2451 173.1636 51 L 4.9198 8.6167 124.1341 51.7833 44.5388 174.4810 52 P 4.6975 0.0000 0.0000 62.3007 32.2708 176.5874 53 D 4.2781 8.7892 119.6872 57.6512 41.1232 177.7447 54 S 4.1207 8.1436 111.6469 60.5441 62.2725 174.0670 55 V 4.1244 7.3095 120.3905 59.9713 30.1902 173.0777 56 P 4.5135 0.0000 0.0000 61.8816 32.4257 174.8608 57 I 4.6287 7.6289 111.4103 58.4953 40.6704 174.8584 58 R 4.0142 8.4669 123.0294 56.9196 30.0083 176.5501 59 V 4.5131 8.4688 119.8874 58.7322 34.2341 174.4475 60 P 4.3275 0.0000 0.0000 63.9817 30.8884 175.8682 61 G 3.8907 7.5726 112.7530 46.2503 0.0000 171.0700 62 K 4.3416 8.4918 119.7984 55.4219 33.7555 176.1609 63 C 5.3364 8.2044 119.2802 54.4948 46.7594 173.3345 64 Q 4.0252 9.0720 125.8067 56.4212 28.9875 174.3750 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 8.04 4.50 2.13 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 0.87 0.00 0.00 0.92 0.00 0.00 2 R 8.41 4.54 0.00 1.81 1.96 0.00 2.92 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 3 D 9.24 4.74 0.00 2.92 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 4 A 6.60 3.58 1.01 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 0.00 0.00 5 Y 7.71 4.60 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 6 I 7.78 3.82 1.73 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.90 0.00 0.00 7 A 8.06 4.73 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.68 4.62 0.00 1.80 1.19 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 9 P 0.00 4.68 0.00 2.19 2.01 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 10 E 8.85 4.02 0.00 2.07 1.93 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 2.26 2.25 0.00 11 N 8.63 4.18 0.00 2.87 2.83 0.00 0.00 7.13 7.81 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 12 C 8.51 5.03 0.00 3.01 2.69 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 13 V 8.10 4.20 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 0.52 0.00 0.00 0.88 0.00 0.00 14 Y 8.39 4.80 0.00 2.94 2.84 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 0.00 0.00 0.00 15 E 9.01 4.67 0.00 2.08 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 2.46 0.00 16 C 8.69 5.17 0.00 3.27 3.26 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 17 G 9.26 3.98 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 0.00 0.00 0.00 18 I 7.71 4.41 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 0.97 0.00 0.00 19 T 8.13 4.10 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 1.23 0.00 0.00 20 Q 8.07 3.36 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.32 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 21 D 7.46 4.82 0.00 2.69 2.45 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 22 C 8.52 4.24 0.00 3.01 3.15 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 0.00 23 N 8.11 4.47 0.00 2.83 2.82 0.00 0.00 7.32 6.81 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 24 K 7.82 3.95 0.00 1.84 1.83 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.33 7.81 25 L 7.93 3.87 0.00 1.79 1.53 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.63 4.20 0.00 3.01 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.39 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 1.20 0.00 0.00 28 E 8.19 3.94 0.00 2.13 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 0.00 2.33 2.49 0.00 29 N 8.07 4.48 0.00 2.94 2.85 0.00 0.00 7.43 7.16 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 30 G 7.60 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 31 A 8.24 4.38 1.23 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 0.00 0.00 32 E 8.70 3.92 0.00 1.99 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 0.00 2.32 2.40 0.00 33 S 7.66 4.50 0.00 3.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 35 Y 7.46 5.09 0.00 3.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 4.82 0.00 2.84 2.99 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 0.00 0.00 0.00 37 Q 9.49 4.42 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 38 W 8.93 4.92 0.00 3.15 3.22 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 0.00 39 G 7.77 3.17 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 0.00 0.00 0.00 40 G 8.35 4.69 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 41 K 8.70 3.65 0.00 1.53 1.15 0.00 1.54 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.24 7.81 42 Y 7.72 4.70 0.00 2.86 2.79 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 0.00 0.00 0.00 0.00 43 G 8.16 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.49 5.29 0.00 2.91 2.51 0.00 0.00 5.30 7.13 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 45 A 9.33 5.08 1.36 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 46 C 8.99 4.81 0.00 3.04 2.99 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 0.00 0.00 0.00 47 W 9.42 4.51 0.00 3.33 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 48 C 7.17 4.94 0.00 2.44 2.50 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 49 I 8.40 4.57 1.76 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 1.48 0.53 1.02 0.00 0.00 50 K 9.24 4.08 0.00 1.99 1.82 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 51 L 8.62 4.92 0.00 1.46 1.37 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.70 0.00 2.23 2.13 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 53 D 8.79 4.28 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.12 0.00 3.85 3.89 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 55 V 7.31 4.12 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 0.92 0.00 0.00 0.91 0.00 0.00 56 P 0.00 4.51 0.00 2.21 2.06 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 57 I 7.63 4.63 2.07 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 1.21 0.59 0.78 0.00 0.00 58 R 8.47 4.01 0.00 2.03 1.89 0.00 3.19 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 59 V 8.47 4.51 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 0.76 0.00 0.00 0.95 0.00 0.00 60 P 0.00 4.33 0.00 2.22 2.21 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 61 G 7.57 3.89 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 0.00 0.00 0.00 62 K 8.49 4.34 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 63 C 8.20 5.34 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 64 Q 9.07 4.03 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.31 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00