NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2865 8.1227 123.5785 51.6632 20.2513 177.4946 2 I 3.4527 8.1483 120.8014 62.5628 38.0755 175.9989 3 T 5.1339 8.4727 107.4941 62.0785 69.5775 174.4406 4 D 4.5625 8.0159 122.7508 56.5430 41.1158 177.1964 5 I 4.4796 7.9503 117.5192 61.0375 39.9855 175.6055 6 L 4.8694 7.5860 118.4385 52.3897 44.7503 175.4039 7 S 4.5749 8.4319 115.4171 57.8932 64.0670 175.1735 8 A 4.0769 8.6872 130.3483 55.1371 18.1106 179.8732 9 K 3.8988 7.9534 117.7997 59.7674 32.2318 178.8392 10 D 4.3161 8.0371 118.6948 57.3539 40.7087 178.5737 11 I 3.5799 7.7753 120.2902 64.3183 37.1392 177.9125 12 E 3.9478 8.4807 120.3485 59.5994 29.2330 179.0629 13 S 4.1025 8.0209 113.4975 61.4222 62.9712 176.2701 14 A 4.0502 8.1182 123.5574 55.3329 18.0041 179.8200 15 L 4.1722 8.3389 117.9608 57.8123 41.4369 179.8613 16 S 4.1853 8.1506 114.0054 61.1549 62.9192 176.1743 17 S 4.4753 7.7915 116.6826 59.2651 63.0799 174.2770 18 C 5.3298 7.6709 117.8763 56.9427 29.8714 176.3043 19 Q 4.0267 8.3612 121.4776 59.6170 28.9263 177.1649 20 A 4.2432 7.4432 117.8872 50.8596 19.3254 176.6160 21 A 4.1115 8.4602 124.7586 54.0299 18.8048 177.2523 22 D 4.6158 9.0716 120.2989 55.2357 38.4884 174.8173 23 S 4.5745 7.8341 112.7552 58.0700 63.8462 173.8327 24 F 4.4314 8.3889 124.7043 58.1106 39.8742 174.5202 25 N 4.3122 7.3122 124.4964 50.8852 41.7547 174.6770 26 Y 3.0466 7.6340 127.0113 59.5503 38.0974 178.4766 27 K 3.7303 6.5150 119.6998 59.2934 32.2117 179.2649 28 S 3.9984 7.8038 115.3908 61.3325 62.6602 176.6337 29 F 3.8674 7.7999 123.1916 61.3895 39.2098 177.2622 30 F 4.5909 8.2449 117.6638 60.5677 38.4989 177.7486 31 S 4.0577 8.0546 112.5322 61.8285 62.0648 176.4195 32 T 3.8188 7.5565 116.9551 66.6132 68.2679 176.8855 33 V 3.6976 7.4251 112.7532 62.4504 31.3927 177.3640 34 G 3.9847 7.8478 107.5624 45.1598 0.0000 175.0472 35 L 3.9086 8.1595 123.6304 57.3360 42.3068 179.0550 36 S 4.2409 8.2193 112.2130 60.1961 63.0530 174.7146 37 S 4.6040 7.4646 114.2627 57.8980 62.9568 174.1002 38 K 4.5036 7.7020 121.1797 55.8033 33.4336 176.7757 39 T 4.3846 9.1442 111.4624 60.4174 71.2741 173.9218 40 P 4.2609 0.0000 0.0000 66.1126 31.3264 178.5965 41 D 4.3825 8.0767 116.9143 57.5691 40.7848 178.8016 42 Q 4.0627 7.9394 118.3979 59.0992 28.6819 178.8791 43 I 4.0353 8.4776 123.7870 64.8063 37.0961 179.3079 44 K 4.0784 8.6045 125.1654 59.6100 31.3994 181.9471 45 K 4.1839 8.2348 121.0149 59.3595 32.1409 179.1078 46 V 3.5820 7.9570 118.6246 65.8612 31.4643 177.6016 47 F 3.4870 8.5860 120.6874 61.2344 38.9498 177.3387 48 G 3.6691 8.1254 103.8373 47.8112 0.0000 175.3922 49 I 3.8351 7.0772 121.3323 64.1370 37.2882 178.1745 50 L 3.9344 7.4709 118.6933 56.8091 42.9364 178.4219 51 D 4.5768 7.5096 119.7945 53.0395 37.1987 176.2847 52 Q 3.9008 7.8159 121.5370 58.4596 29.4224 177.8264 53 D 4.6422 8.2029 114.3109 52.2766 39.6637 176.2709 54 K 3.9725 7.9205 117.7886 57.8678 29.9261 176.9315 55 S 4.2471 8.4422 115.0997 59.5565 63.3862 175.2024 56 G 3.9512 9.6472 109.4964 44.8214 0.0000 172.9319 57 F 5.1163 7.7275 116.3296 55.8235 43.5392 174.9994 58 I 4.3911 8.8572 122.9610 59.3054 37.7741 175.5753 59 E 4.4068 8.6451 126.9779 55.6215 30.6854 177.9296 60 E 3.8702 8.9539 121.7353 59.6730 29.4252 178.9438 61 E 3.9676 8.1214 115.3618 59.1386 29.4118 178.1747 62 E 4.1794 7.9328 118.9844 58.4708 29.9957 178.2106 63 L 4.0353 7.9391 120.7172 57.6642 41.9987 178.6278 64 Q 4.1610 7.9358 117.3611 58.0721 28.7685 177.0924 65 L 4.5543 7.6031 120.3069 54.4214 41.9189 177.6011 66 F 4.0955 7.8755 122.6658 61.9347 39.2485 177.3445 67 L 4.0322 8.0651 117.5469 57.7792 41.0971 179.5153 68 K 4.3816 8.1063 117.8453 58.9849 31.7005 178.8088 69 N 4.3162 7.8536 115.5497 55.2674 38.4621 176.6035 70 F 4.5801 7.9950 118.4781 57.9622 39.8235 176.2787 71 S 4.5373 7.6142 113.4681 56.5209 64.6050 174.3338 72 S 4.2923 9.2177 123.0369 60.4131 62.6024 175.1912 73 S 4.4510 7.9714 112.8539 58.0528 63.2652 174.0219 74 A 4.2663 8.0156 124.9595 51.8573 18.7400 177.8549 75 R 4.2269 8.1594 116.0767 55.7234 30.4527 177.0081 76 V 4.0159 7.9443 112.2560 61.3286 32.3772 176.1184 77 L 4.4446 8.4709 123.9709 54.5535 42.3912 177.3064 78 T 4.0811 9.1340 113.1532 61.5754 69.9337 175.4776 79 S 4.0966 8.9776 118.1901 61.9411 62.7301 177.0708 80 A 3.9842 7.9075 122.5572 55.2606 18.2446 179.2850 81 E 3.9911 8.3850 117.2605 60.0096 29.5569 179.8552 82 T 3.9455 8.3129 116.1041 66.3130 68.5027 176.7081 83 K 3.9256 8.3665 121.5103 59.5707 32.2943 178.7267 84 A 4.0756 8.2447 121.1332 55.0064 18.1576 179.3338 85 F 4.2593 8.5140 119.2450 61.5766 39.4424 177.1112 86 L 3.8228 8.1429 119.7013 58.1652 41.6369 178.8226 87 A 4.0054 8.0341 119.5705 54.9241 18.3852 179.1463 88 A 4.2996 8.0393 118.4592 54.0650 18.5491 178.3407 89 G 3.9864 7.4103 103.1997 45.3090 0.0000 173.3293 90 D 4.6493 8.1590 120.7402 53.4065 39.5100 175.5003 91 T 4.1804 8.2238 114.4270 62.9095 69.6776 176.1514 92 D 4.5307 8.1969 119.4919 52.7655 40.0291 176.7161 93 G 3.8519 8.1599 108.2959 46.9615 0.0000 173.8318 94 D 4.5339 8.3620 116.6513 52.5623 39.5345 177.2688 95 G 3.8854 9.0314 107.8253 45.6782 0.0000 172.9394 96 K 4.7211 8.1042 117.5871 55.2630 36.6889 175.3954 97 I 4.6861 8.8296 121.2095 59.7222 39.2927 176.5712 98 G 4.3224 9.4209 115.2866 45.1624 0.0000 174.8702 99 V 2.6582 7.9138 112.5150 64.1962 31.4238 178.8645 100 E 3.9822 7.9448 117.6939 59.3734 29.3992 179.0642 101 E 4.0517 8.1678 118.2783 59.1907 29.5066 178.9979 102 F 4.2938 8.6492 121.0066 61.5532 39.4716 177.0496 103 Q 3.8672 8.2575 117.6736 59.1665 28.2556 179.1372 104 S 4.1002 7.7839 112.7591 61.1487 62.5009 175.8474 105 L 4.2773 7.6980 120.8166 58.0059 41.5209 179.3707 106 V 2.7943 7.2422 116.7640 65.2020 31.3712 176.4061 107 K 4.2686 7.5745 121.5001 56.5087 32.2172 176.4333 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 A 8.12 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.45 1.68 0.00 0.00 0.64 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 1.23 0.89 0.00 0.00 3 T 8.47 5.13 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 1.28 0.00 0.00 4 D 8.02 4.56 0.00 2.87 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 5 I 7.95 4.48 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.98 0.00 0.00 6 L 7.59 4.87 0.00 1.78 1.62 1.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.43 4.57 0.00 3.90 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 8 A 8.69 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.90 0.00 1.90 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 10 D 8.04 4.32 0.00 2.85 2.86 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 0.00 0.00 0.00 11 I 7.78 3.58 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 1.12 0.00 0.00 12 E 8.48 3.95 0.00 2.12 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 0.00 2.33 2.39 0.00 13 S 8.02 4.10 0.00 3.99 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.12 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.34 4.17 0.00 1.78 1.83 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.15 4.19 0.00 4.04 4.09 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 0.00 0.00 0.00 17 S 7.79 4.48 0.00 4.02 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 18 C 7.67 5.33 0.00 3.16 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 19 Q 8.36 4.03 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 20 A 7.44 4.24 1.29 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 0.00 0.00 0.00 21 A 8.46 4.11 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 22 D 9.07 4.62 0.00 2.87 2.82 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 0.00 0.00 0.00 23 S 7.83 4.57 0.00 4.01 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 0.00 24 F 8.39 4.43 0.00 2.91 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 25 N 7.31 4.31 0.00 2.44 2.22 0.00 0.00 6.95 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 26 Y 7.63 3.05 0.00 2.41 1.78 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 27 K 6.51 3.73 0.00 1.54 1.63 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.92 0.21 7.81 28 S 7.80 4.00 0.00 3.79 3.77 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 29 F 7.80 3.87 0.00 2.91 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 30 F 8.24 4.59 0.00 3.18 3.03 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 31 S 8.05 4.06 0.00 3.91 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 32 T 7.56 3.82 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 1.17 0.00 0.00 33 V 7.43 3.70 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 -0.31 0.00 0.00 1.02 0.00 0.00 34 G 7.85 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 35 L 8.16 3.91 0.00 2.03 1.90 1.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.22 4.24 0.00 4.03 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 37 S 7.46 4.60 0.00 3.96 3.99 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 38 K 7.70 4.50 0.00 1.94 1.95 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.57 7.81 39 T 9.14 4.38 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 40 P 0.00 4.26 0.00 2.17 2.32 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 41 D 8.08 4.38 0.00 2.69 2.73 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 42 Q 7.94 4.06 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 43 I 8.48 4.04 2.07 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 1.42 0.78 1.06 0.00 0.00 44 K 8.60 4.08 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 45 K 8.23 4.18 0.00 1.86 2.06 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 46 V 7.96 3.58 2.55 0.00 0.00 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 1.13 0.00 0.00 47 F 8.59 3.49 0.00 3.02 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 48 G 8.13 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 49 I 7.08 3.84 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.72 0.00 0.00 50 L 7.47 3.93 0.00 1.31 1.45 0.56 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.51 4.58 0.00 2.22 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 52 Q 7.82 3.90 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 53 D 8.20 4.64 0.00 2.75 2.73 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 54 K 7.92 3.97 0.00 1.93 1.93 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.48 7.81 55 S 8.44 4.25 0.00 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.73 5.12 0.00 3.20 2.91 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 58 I 8.86 4.39 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.68 0.80 0.00 0.00 59 E 8.65 4.41 0.00 1.96 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 2.38 2.34 0.00 60 E 8.95 3.87 0.00 2.00 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 2.36 2.36 0.00 61 E 8.12 3.97 0.00 2.14 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 0.00 2.25 2.33 0.00 62 E 7.93 4.18 0.00 2.16 1.96 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 2.32 2.31 0.00 63 L 7.94 4.04 0.00 1.81 1.71 0.38 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.94 4.16 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 65 L 7.60 4.55 0.00 1.85 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.88 4.10 0.00 3.36 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 L 8.07 4.03 0.00 1.87 1.75 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.11 4.38 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.49 7.81 69 N 7.85 4.32 0.00 2.37 2.51 0.00 0.00 6.96 6.91 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 70 F 7.99 4.58 0.00 3.29 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 71 S 7.61 4.54 0.00 3.90 3.76 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 72 S 9.22 4.29 0.00 4.01 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 73 S 7.97 4.45 0.00 4.01 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 74 A 8.02 4.27 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 75 R 8.16 4.23 0.00 1.94 1.96 0.00 3.05 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 76 V 7.94 4.02 2.07 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 0.69 0.00 0.00 0.92 0.00 0.00 77 L 8.47 4.44 0.00 1.43 1.47 0.47 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.13 4.08 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 1.25 0.00 0.00 79 S 8.98 4.10 0.00 3.89 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 80 A 7.91 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.39 3.99 0.00 2.16 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 2.43 2.57 0.00 82 T 8.31 3.95 4.39 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 1.26 0.00 0.00 83 K 8.37 3.93 0.00 1.97 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 A 8.24 4.08 1.40 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 0.00 0.00 85 F 8.51 4.26 0.00 3.23 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 86 L 8.14 3.82 0.00 1.85 1.83 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.03 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.04 4.30 1.40 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 0.00 0.00 89 G 7.41 3.99 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 0.00 0.00 0.00 90 D 8.16 4.65 0.00 2.66 2.68 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 91 T 8.22 4.18 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 1.24 0.00 0.00 92 D 8.20 4.53 0.00 2.82 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 93 G 8.16 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 94 D 8.36 4.53 0.00 2.70 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 95 G 9.03 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 96 K 8.10 4.72 0.00 1.87 1.69 0.00 1.04 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.24 7.81 97 I 8.83 4.69 1.96 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 1.13 0.85 1.18 0.00 0.00 98 G 9.42 4.32 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 0.00 99 V 7.91 2.66 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.69 0.00 0.00 100 E 7.94 3.98 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 2.33 2.31 0.00 101 E 8.17 4.05 0.00 2.28 2.26 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 2.45 2.42 0.00 102 F 8.65 4.29 0.00 3.48 3.36 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 0.00 103 Q 8.26 3.87 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 104 S 7.78 4.10 0.00 3.92 4.09 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 0.00 0.00 0.00 105 L 7.70 4.28 0.00 1.78 1.92 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.24 2.79 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.38 0.00 0.00 107 K 7.57 4.27 0.00 1.71 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.55 7.81