NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6093 8.3649 120.1915 54.0789 43.4149 175.6443 4 S 4.4052 7.4700 114.2665 57.1763 66.6437 172.4113 5 E 4.4961 9.5510 126.2537 56.5904 29.6779 176.4823 6 I 4.0317 7.7079 121.0466 61.3544 37.9739 175.5234 7 F 4.5862 9.1413 130.6467 57.1865 40.5588 174.7004 8 T 4.9674 8.0220 123.9049 63.0869 69.4216 174.6158 9 V 4.4778 9.1221 125.8392 59.9805 34.4685 174.0887 10 N 5.4886 8.9486 122.1630 51.8021 40.2900 174.4557 11 G 4.3191 9.3156 109.6595 44.4928 0.0000 171.1283 12 I 5.0505 8.0005 120.5923 58.7678 40.0169 175.0084 13 L 3.8538 8.8927 128.4105 56.8994 41.9377 176.8943 14 G 4.0958 9.4876 115.0851 45.3678 0.0000 172.8097 15 E 4.9784 8.0779 120.5413 55.5559 31.3720 174.7607 16 S 5.4002 8.4156 115.8396 57.7113 66.3518 174.1391 17 V 4.4730 8.4582 120.7536 60.3622 34.9306 174.1354 18 T 4.8944 8.2960 118.6022 61.9260 71.1188 173.5304 19 F 4.5306 9.1095 125.1733 55.0848 40.8660 173.3691 20 P 4.7813 0.0000 0.0000 62.9032 31.5049 175.3747 21 V 4.2304 9.2872 122.6785 64.1832 33.7696 175.7577 22 N 4.1731 8.6062 112.9041 54.1169 35.4225 174.9406 23 I 3.7911 8.0317 118.2280 60.8529 38.6023 174.7862 24 Q 4.0432 8.6993 126.8959 58.8838 28.7555 177.4401 25 E 4.5659 7.6375 122.8292 52.1350 29.3233 174.1633 26 P 4.4827 0.0000 0.0000 65.3223 31.7202 179.6735 27 R 4.0391 8.1257 113.8058 58.0441 29.3672 176.5965 28 Q 4.2410 8.0993 119.0138 56.1803 29.5038 174.7640 29 V 4.0698 7.5679 118.0332 63.0671 32.1326 175.2850 30 K 4.2900 8.8788 128.0735 58.3379 32.5447 176.8468 31 I 4.6727 7.2990 118.0813 59.9304 41.6975 172.3945 32 I 4.8911 8.8076 128.3981 59.3904 40.1131 174.2050 33 A 5.1757 8.8175 129.0262 50.1743 21.2190 175.2190 34 W 5.2051 9.2189 123.3635 55.9704 31.5868 175.8832 35 T 4.9273 8.9328 118.9981 61.9163 72.5882 172.4248 36 S 4.7882 8.7420 121.5972 56.0760 63.2645 176.0870 37 K 4.0288 8.7775 115.6582 58.3677 32.0839 176.4797 38 T 4.6810 7.4572 107.3009 58.7607 71.6511 173.2934 39 S 4.4108 8.4923 116.3269 59.0521 63.1202 172.4070 40 V 4.0656 7.5790 117.5453 62.7107 33.4319 174.6724 41 A 4.6926 7.2207 118.4944 51.4468 22.8419 173.4489 42 Y 5.4134 8.7532 117.5538 56.3182 40.9911 175.2187 43 V 5.1564 9.0921 123.6692 61.4171 34.2578 174.4089 44 T 5.2263 9.0258 118.0520 58.7391 72.2290 171.7077 45 P 4.6653 0.0000 0.0000 63.5289 32.0198 176.8821 46 G 4.1938 8.1294 110.1939 44.1444 0.0000 172.7468 47 D 4.5228 8.7325 118.3229 56.1037 41.4731 176.8029 48 S 4.8338 7.6104 112.2239 55.8087 66.0793 174.4290 49 E 3.8834 8.8199 122.0391 59.5624 29.2706 178.8247 50 T 4.1999 7.7681 104.7179 61.2638 69.2859 174.2921 51 A 4.5044 7.6974 124.0297 49.3748 20.6369 174.0528 52 P 4.4443 0.0000 0.0000 63.2265 32.7973 175.9227 53 V 4.1652 9.2328 122.6197 61.8838 33.0091 174.6751 54 V 4.7172 8.4131 127.8711 61.6509 33.2500 174.7565 55 T 4.5991 9.0720 125.0640 61.6123 70.8849 173.6519 56 V 4.3003 8.5230 127.4899 62.8532 32.1930 175.8098 57 T 4.6067 8.6844 115.5702 61.3627 69.8249 173.2607 58 H 4.8717 7.8845 121.7235 54.2776 33.3124 173.4736 59 R 3.9333 8.7427 126.2990 59.7686 29.8984 177.9290 60 N 4.2902 8.5332 113.6866 55.7238 38.7366 174.9620 61 Y 4.6622 8.1817 113.7837 57.2102 38.8056 174.6159 62 Y 4.3405 7.8693 121.0917 59.5625 38.9530 175.7585 63 E 3.6108 8.4740 125.0237 57.5340 27.2636 174.8742 64 R 4.7536 7.9632 113.5065 54.3820 32.9341 174.6488 65 I 4.7956 7.5587 120.0065 59.7016 39.4327 174.6669 66 H 4.9978 9.1580 123.1690 53.8401 32.8978 172.2510 67 A 4.7156 8.4383 122.4671 50.4810 21.0655 176.4173 68 L 3.9145 8.8131 122.1447 56.8138 41.6521 175.6320 69 G 3.8347 7.9779 111.9955 44.0894 0.0000 172.0130 70 P 4.7144 0.0000 0.0000 64.0773 31.7736 176.7220 71 N 4.7228 8.0541 115.8450 53.0830 38.7848 175.2316 72 Y 3.8407 7.8028 114.1393 58.6727 35.6419 169.2896 73 N 4.7335 8.0544 117.3089 53.7340 40.0780 173.4151 74 L 4.9938 8.5423 123.7403 53.2439 44.8113 175.0483 75 V 4.7683 9.3310 126.4754 61.2034 34.3146 174.1368 76 I 5.0470 8.3568 127.9979 59.5529 39.8409 175.0276 77 S 4.7912 9.0267 121.1221 55.5832 66.5422 172.9394 78 D 4.4824 8.4601 116.0758 53.1188 39.4696 173.6264 79 L 4.2384 7.8645 118.0289 55.7077 42.8198 177.5050 80 R 4.9829 8.8199 120.3747 54.1906 33.4832 176.7732 81 M 4.0863 8.6265 119.5046 58.6826 32.1013 178.8035 82 E 4.1383 8.0483 116.5627 58.7244 29.8664 177.7463 83 D 4.6599 8.2633 118.2498 56.3861 41.1109 176.8538 84 A 4.4137 7.4932 122.1461 52.2883 19.3253 177.8323 85 G 3.7946 8.0661 106.9930 44.6108 0.0000 172.0987 86 D 5.3862 8.5215 120.1121 54.2038 42.6067 175.4377 87 Y 5.0415 9.6360 119.6326 56.3253 42.3603 174.7406 88 K 5.2883 9.5752 120.3528 54.7347 37.2246 175.1014 89 A 4.3567 8.5955 125.3261 49.9624 21.5030 175.0634 90 D 4.7384 8.7712 124.0388 53.4400 42.3845 175.9058 91 I 4.3436 8.5700 126.5167 59.8909 38.9369 174.7003 92 N 6.0801 9.4481 125.7848 51.0587 40.5293 174.4269 93 T 4.9948 8.3387 112.7473 59.5776 71.6159 173.7722 94 Q 4.2456 9.1663 121.8563 58.4737 29.5028 176.8353 95 A 4.8235 7.5091 120.4176 49.2183 22.1061 174.3880 96 D 3.3700 8.3497 118.1669 54.3656 41.1631 174.4754 97 P 4.0569 0.0000 0.0000 62.4414 31.8880 176.9528 98 Y 3.9605 7.5762 122.8983 59.5143 37.5734 169.6195 99 T 5.0840 7.6856 114.3892 62.1375 71.7624 173.6469 100 T 4.5386 8.4940 123.5795 62.0193 71.0261 173.6484 101 T 4.8870 8.4375 122.9025 61.9035 70.3687 174.0130 102 K 4.4964 8.5674 125.7578 54.5774 34.9285 175.4344 103 R 5.0449 8.1040 122.3666 54.6838 33.4511 174.5013 104 Y 5.5183 8.9732 119.0208 56.4632 43.1087 173.9205 105 N 5.5879 9.4106 121.5075 51.9880 41.6156 172.7037 106 L 5.0499 9.2747 129.9665 54.1449 43.8756 175.0652 107 Q 4.8984 9.2136 125.6840 54.1164 31.6419 174.4416 108 I 4.9081 8.1893 124.2698 59.7766 39.4849 174.5989 109 Y 4.8553 8.7341 124.0490 55.6127 41.4033 175.5775 110 R 4.5056 8.6379 117.8346 55.8100 30.8008 176.8466 111 R 4.1151 8.3935 115.3452 56.5997 29.6566 176.4103 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 3 D 8.36 4.61 0.00 2.64 2.77 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 4 S 7.47 4.41 0.00 3.97 3.70 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 5 E 9.55 4.50 0.00 1.94 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 2.32 2.32 0.00 6 I 7.71 4.03 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.98 0.00 0.00 7 F 9.14 4.59 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.97 4.07 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 1.27 0.00 0.00 9 V 9.12 4.48 2.33 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 0.72 0.00 0.00 0.79 0.00 0.00 10 N 8.95 5.49 0.00 2.65 2.98 0.00 0.00 6.80 7.65 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 11 G 9.32 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 12 I 8.00 5.05 1.89 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 1.26 1.10 0.99 0.00 0.00 13 L 8.89 3.85 0.00 1.76 1.65 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.08 4.98 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 2.43 2.41 0.00 16 S 8.42 5.40 0.00 3.67 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 17 V 8.46 4.47 1.95 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 0.44 0.00 0.00 0.70 0.00 0.00 18 T 8.30 4.89 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 19 F 9.11 4.53 0.00 2.46 2.29 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 20 P 0.00 4.78 0.00 1.88 1.90 0.00 3.68 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 1.31 1.00 0.00 21 V 9.29 4.23 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 0.96 0.00 0.00 1.33 0.00 0.00 22 N 8.61 4.17 0.00 2.93 2.88 0.00 0.00 6.83 7.45 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 23 I 8.03 3.79 2.17 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 1.17 0.00 0.00 24 Q 8.70 4.04 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 25 E 7.64 4.57 0.00 2.04 1.85 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 2.44 2.33 0.00 26 P 0.00 4.48 0.00 2.39 2.67 0.00 3.84 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 27 R 8.13 4.04 0.00 1.95 2.16 0.00 3.10 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 28 Q 8.10 4.24 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 29 V 7.57 4.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.59 0.00 0.00 30 K 8.88 4.29 0.00 1.73 1.81 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.44 7.81 31 I 7.30 4.67 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 0.85 0.00 0.00 32 I 8.81 4.89 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.35 0.36 0.00 0.00 33 A 8.82 5.18 1.45 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 34 W 9.22 5.21 0.00 3.32 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 35 T 8.93 4.93 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 1.20 0.00 0.00 36 S 8.74 4.79 0.00 2.72 3.12 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 37 K 8.78 4.03 0.00 1.74 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.36 7.81 38 T 7.46 4.68 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 1.10 0.00 0.00 39 S 8.49 4.41 0.00 3.92 3.93 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 40 V 7.58 4.07 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 0.25 0.00 0.00 0.70 0.00 0.00 41 A 7.22 4.69 1.10 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 0.00 0.00 0.00 0.00 0.00 42 Y 8.75 5.41 0.00 2.96 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 43 V 9.09 5.16 2.43 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 1.41 0.00 0.00 1.14 0.00 0.00 44 T 9.03 5.23 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 1.26 0.00 0.00 45 P 0.00 4.67 0.00 2.18 2.28 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 46 G 8.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.52 0.00 2.68 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 48 S 7.61 4.83 0.00 3.94 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 49 E 8.82 3.88 0.00 2.00 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 2.41 2.29 0.00 50 T 7.77 4.20 4.20 0.00 0.00 0.00 0.00 0.00 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 51 A 7.70 4.50 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 1.89 1.94 0.00 3.53 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 53 V 9.23 4.17 2.14 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 1.05 0.00 0.00 0.96 0.00 0.00 54 V 8.41 4.72 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 0.84 0.00 0.00 0.91 0.00 0.00 55 T 9.07 4.60 4.43 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 1.33 0.00 0.00 56 V 8.52 4.30 2.16 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 0.98 0.00 0.00 0.92 0.00 0.00 57 T 8.68 4.61 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 0.91 0.00 0.00 58 H 7.88 4.87 0.00 3.30 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.74 3.93 0.00 1.79 1.84 0.00 3.17 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 60 N 8.53 4.29 0.00 2.44 2.37 0.00 0.00 6.74 7.46 0.00 0.00 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 Y 8.18 4.66 0.00 3.12 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 62 Y 7.87 4.34 0.00 2.95 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 63 E 8.47 3.61 0.00 1.83 1.74 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 1.47 1.56 0.00 64 R 7.96 4.75 0.00 1.97 2.05 0.00 3.31 0.00 0.00 3.29 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 65 I 7.56 4.80 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.64 0.00 0.00 66 H 9.16 5.00 0.00 2.96 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.44 4.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 3.91 0.00 1.52 1.68 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.98 3.83 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 0.00 0.00 0.00 70 P 0.00 4.71 0.00 2.19 2.16 0.00 3.33 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 71 N 8.05 4.72 0.00 2.88 3.00 0.00 0.00 7.18 7.48 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 72 Y 7.80 3.84 0.00 3.21 3.21 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 73 N 8.05 4.73 0.00 2.74 2.84 0.00 0.00 6.49 6.74 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 74 L 8.54 4.99 0.00 1.25 0.68 0.45 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.33 4.77 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 1.04 0.00 0.00 0.88 0.00 0.00 76 I 8.36 5.05 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 1.02 0.00 0.00 77 S 9.03 4.79 0.00 3.85 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 78 D 8.46 4.48 0.00 2.74 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 79 L 7.86 4.24 0.00 1.88 1.63 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.82 4.98 0.00 1.83 1.94 0.00 3.12 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 81 M 8.63 4.09 0.00 2.03 2.12 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 2.68 2.52 0.00 82 E 8.05 4.14 0.00 1.91 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 2.29 2.38 0.00 83 D 8.26 4.66 0.00 2.92 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 84 A 7.49 4.41 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 85 G 8.07 3.79 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 0.00 0.00 0.00 86 D 8.52 5.39 0.00 2.68 2.67 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 87 Y 9.64 5.04 0.00 2.97 2.85 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 88 K 9.58 5.29 0.00 1.62 1.58 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 89 A 8.60 4.36 -0.12 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 0.00 0.00 90 D 8.77 4.74 0.00 2.56 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 91 I 8.57 4.34 1.84 0.00 0.00 0.75 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 0.95 0.76 0.00 0.00 92 N 9.45 6.08 0.00 2.66 2.70 0.00 0.00 6.38 7.09 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 93 T 8.34 4.99 4.29 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 1.14 0.00 0.00 94 Q 9.17 4.25 0.00 1.92 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 95 A 7.51 4.82 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 96 D 8.35 3.37 0.00 2.35 2.39 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 97 P 0.00 4.06 0.00 2.09 2.00 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 98 Y 7.58 3.96 0.00 3.35 3.11 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 99 T 7.69 5.08 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 1.18 0.00 0.00 100 T 8.49 4.54 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 1.15 0.00 0.00 101 T 8.44 4.89 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 1.18 0.00 0.00 102 K 8.57 4.50 0.00 1.56 1.38 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.50 7.81 103 R 8.10 5.04 0.00 1.64 1.77 0.00 3.04 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 104 Y 8.97 5.52 0.00 3.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.41 5.59 0.00 2.91 2.78 0.00 0.00 6.76 5.98 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 0.00 106 L 9.27 5.05 0.00 2.03 2.03 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 9.21 4.90 0.00 2.27 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 108 I 8.19 4.91 1.83 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 1.36 0.60 0.92 0.00 0.00 109 Y 8.73 4.86 0.00 2.89 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 0.00 110 R 8.64 4.51 0.00 1.85 1.98 0.00 3.06 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 111 R 8.39 4.12 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00