NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5965 8.3644 120.1909 53.5164 42.3192 177.7225 4 I 4.1760 8.1768 112.8138 59.4554 40.3067 171.7367 5 T 4.1913 8.7987 125.3676 62.4217 69.4392 174.3211 6 A 4.4526 8.3700 129.5973 51.0470 20.4655 174.5305 7 N 4.8739 8.7316 117.3118 53.5865 39.7231 174.7418 8 V 4.0615 7.7068 119.2707 61.3209 32.2684 175.3659 9 V 4.1752 8.0323 127.0796 59.8141 32.9068 175.9118 10 V 3.6756 8.2454 123.6060 62.9386 31.7547 175.0325 11 S 4.5847 8.3071 120.3474 56.8479 66.1693 172.7043 12 N 4.7744 8.4430 118.6808 51.2472 38.8638 171.9619 13 P 4.4105 0.0000 0.0000 63.3795 32.1520 176.3205 14 R 4.2110 7.8320 120.7738 54.7191 30.2068 174.2371 15 P 4.3778 0.0000 0.0000 62.6383 32.2245 175.4449 16 I 4.7585 7.5714 119.5018 59.5172 40.7489 174.7391 17 F 4.8126 9.1606 124.7224 55.8796 41.3802 174.6604 18 T 5.0805 8.4111 113.0614 59.3471 72.1218 173.6031 19 E 4.2334 9.1749 122.3898 56.7871 30.1066 178.3246 20 S 4.5162 8.4810 115.5716 59.9057 63.4804 175.5524 21 R 4.6453 7.9702 115.7896 55.6391 31.4986 175.1300 22 S 4.7395 7.6093 111.0312 56.7165 66.0622 174.3199 23 F 4.7111 8.5418 124.6535 56.6341 37.8350 174.4382 24 K 4.3774 7.4610 122.2304 53.8311 36.4103 175.8234 25 A 4.3788 8.1485 124.5178 52.4230 19.4828 178.7267 26 V 4.1676 8.6600 121.1694 60.7918 29.9537 174.8588 27 A 4.5401 7.7457 124.2049 53.0286 19.0640 177.3653 28 N 4.2367 8.7786 120.5346 54.2460 36.9562 174.9513 29 G 4.0721 7.8728 106.0583 45.7760 0.0000 173.2422 30 K 5.1258 9.3466 118.3342 54.4749 36.2712 175.9428 31 I 4.9975 8.4122 124.4530 59.6719 40.4041 174.0866 32 Y 5.1162 9.1092 123.7916 56.2293 41.2682 174.7449 33 I 4.9735 9.4089 123.9435 59.7905 40.9067 175.0499 34 G 4.3158 8.7930 113.2357 44.9035 0.0000 171.4400 35 Q 4.6609 8.8730 118.7019 55.5445 29.7600 177.1593 36 I 3.9001 8.4439 115.6012 62.5766 37.9321 175.0352 37 D 4.5530 9.0732 120.9731 55.5770 38.8409 173.3755 38 T 4.5828 7.5769 107.6492 59.5641 71.6025 173.1330 39 D 4.5599 8.3119 121.1901 52.5336 40.1688 174.5371 40 P 4.6182 0.0000 0.0000 63.6492 31.8574 177.7451 41 V 2.9311 7.5815 119.1365 65.1362 31.7073 175.4670 42 N 4.4143 7.7884 119.6335 52.4674 38.9097 173.7080 43 P 4.3935 0.0000 0.0000 65.4427 31.6583 178.5221 44 A 4.0920 8.0698 120.1831 54.4016 18.4404 177.7695 45 N 4.7191 8.3503 112.6523 53.6279 39.3296 175.4325 46 Q 4.6587 7.7702 118.0084 55.6035 29.4755 175.0980 47 I 4.7253 7.5278 113.5834 58.0829 40.7452 173.5219 48 P 4.2042 0.0000 0.0000 63.1003 31.8942 176.1971 49 V 4.5595 7.9360 115.8275 59.7017 35.3460 174.1349 50 Y 5.1381 8.6113 120.7314 56.0684 42.1837 174.8883 51 I 4.3042 8.6291 124.5961 61.2859 38.5821 174.6332 52 E 4.7533 8.6932 128.6851 54.8296 30.2972 175.7618 53 N 4.7335 9.2225 125.5996 52.4217 39.6430 176.3031 54 E 3.9749 8.6376 118.8802 59.5968 29.4955 178.1460 55 D 4.4768 7.9921 115.3391 53.6168 39.7715 177.0561 56 G 3.8507 8.1755 109.1020 45.2078 0.0000 173.7943 57 S 4.4952 8.3344 115.3538 58.0785 65.0424 172.6780 58 H 5.4824 8.5157 116.1552 54.0730 32.1165 173.7992 59 V 4.4935 8.7240 115.0255 59.3018 34.8000 175.0163 60 Q 4.3676 9.0740 127.6968 56.1191 29.6311 174.8852 61 I 4.6065 8.0186 118.5242 58.9865 41.0205 174.7757 62 T 4.1733 8.3954 116.5277 61.6704 68.0415 173.7426 63 Q 4.4826 8.1335 125.2679 53.6034 30.6667 173.8470 64 P 4.2595 0.0000 0.0000 62.2861 32.4258 176.0598 65 L 4.1808 8.3818 121.1784 54.9866 42.9435 176.0718 66 I 4.7992 8.2680 122.3381 59.6554 40.3241 174.3424 67 I 4.8743 8.2143 126.8619 59.7553 39.8739 175.8076 68 N 4.8934 8.9823 124.8755 51.5138 39.6594 175.3066 69 A 3.9841 8.4858 119.4385 55.1788 18.5157 178.5605 70 A 4.1050 8.1104 116.7798 52.8520 19.0972 178.1460 71 G 3.9734 8.5142 104.6265 45.3031 0.0000 172.9600 72 K 5.0967 8.3987 118.4671 54.0774 35.6597 175.6449 73 I 4.5246 8.3848 123.7216 61.5229 38.1964 175.4785 74 V 5.0633 8.6985 119.5623 59.8365 35.7216 174.7602 75 Y 4.5116 8.6979 123.4984 57.0504 41.4800 174.8003 76 N 3.9163 9.2112 125.3010 54.7389 37.2928 174.6673 77 G 3.9631 8.5800 102.2291 45.1423 0.0000 173.8828 78 Q 4.6946 7.8237 117.8557 53.2944 32.3391 174.9927 79 L 4.5935 8.4069 120.7375 55.2042 42.3180 176.9854 80 V 4.6318 8.1900 114.9691 59.5569 36.2136 174.6449 81 K 4.5050 8.5842 123.8726 55.2897 33.7920 174.9070 82 I 5.1091 8.4306 127.9849 59.7733 39.2917 175.3582 83 V 4.7942 9.0272 119.5324 59.7775 35.8133 174.4771 84 T 4.9629 8.3817 111.7341 60.0292 71.6293 173.9314 85 V 3.8729 8.2698 120.1347 64.4065 31.7897 175.5843 86 Q 4.7274 7.7374 115.1036 53.2755 31.5458 174.8066 87 G 3.9517 8.3360 105.8975 47.5550 0.0000 172.0352 88 H 5.1853 8.5527 115.0374 54.3079 32.4250 173.1301 89 S 4.9625 8.9556 114.8838 58.4294 64.9978 172.6656 90 M 5.4382 8.9479 119.8624 54.1492 36.0244 173.3735 91 A 5.3296 9.3451 126.3955 50.2646 22.8741 174.7506 92 I 4.9599 8.5750 122.1876 59.6942 40.4193 174.3902 93 Y 5.1167 9.3206 124.5300 56.1060 41.7207 175.6209 94 D 4.9091 9.1597 122.8261 52.0222 41.0247 177.2316 95 A 4.0958 8.4279 121.3362 54.7081 18.3188 178.0860 96 N 4.5464 8.3465 111.8269 53.6863 38.9293 176.1874 97 G 4.0141 8.4378 107.1731 45.0780 0.0000 173.4693 98 S 4.5065 8.0233 114.6695 56.9889 63.3549 172.9037 99 Q 3.7608 8.5567 128.6815 56.0715 29.4595 175.4449 100 V 3.9807 8.7512 126.8558 65.1536 32.4842 175.2026 101 D 4.7340 7.4944 117.1518 53.6404 44.7063 173.2072 102 Y 5.2775 8.3452 122.5786 56.1904 42.6008 173.4164 103 I 4.3583 8.0920 126.8110 59.1953 40.1393 176.4826 104 A 3.8533 8.3109 128.6563 54.0650 19.7457 176.4442 105 N 5.0471 7.7160 113.8766 52.8468 41.4105 174.0374 106 V 4.3573 8.9656 127.1713 60.9442 34.9374 174.4586 107 L 4.4222 8.2937 129.5350 53.8856 43.8864 174.4171 108 K 4.4685 8.2374 126.9857 54.5491 34.7246 174.7886 109 Y 4.6773 8.5287 123.9993 56.5197 39.6039 175.3033 110 D 4.8689 8.5881 123.3716 51.9078 40.9225 175.3652 111 P 4.4808 0.0000 0.0000 65.9054 31.0635 178.6013 112 D 4.5108 8.1398 119.3276 56.7258 40.5444 178.5182 113 Q 3.8628 8.2042 120.1938 59.1736 28.9285 177.7899 114 Y 3.8446 7.9382 118.2791 61.0197 37.7823 178.7763 115 S 4.1981 8.1269 114.7381 61.2530 63.2557 176.4454 116 I 3.7504 7.7894 123.4153 64.3288 36.8317 178.2089 117 E 3.9115 8.3601 119.4254 59.2809 29.1484 179.3727 118 A 4.0345 8.2079 120.8602 55.1330 18.4624 179.3566 119 D 4.3145 8.3796 117.6744 57.5205 40.9498 179.0583 120 K 3.9152 8.3784 119.2660 59.4321 32.0780 179.1567 121 K 3.8797 8.4024 120.0604 59.4917 32.1323 178.3986 122 F 3.9037 8.4742 121.0197 61.1997 39.2345 176.9435 123 K 4.0325 8.2943 119.1782 59.3697 32.0283 178.4644 124 L 3.9035 7.9174 120.5060 58.3347 41.9976 179.0109 125 I 3.6362 7.7495 119.7332 64.1553 36.9098 178.3008 126 K 3.7512 7.8229 120.4225 59.5375 31.9924 178.7986 127 Q 3.9727 8.2384 118.3816 59.0041 28.6579 178.9746 128 I 3.6866 7.7514 120.6324 64.5111 37.1507 178.4190 129 E 4.0057 8.3722 119.6611 59.4538 29.2235 179.1781 130 D 4.3292 8.4065 119.3431 57.2281 40.8051 178.8132 131 K 3.9412 8.1881 120.1399 59.4029 32.1176 178.8308 132 I 3.6678 8.2164 120.5338 64.5881 37.0189 178.2589 133 E 3.9558 8.3537 119.3413 59.3058 29.2404 179.0405 134 E 3.9283 8.3667 119.4390 59.2265 29.6241 178.8708 135 I 3.6451 8.0607 120.2061 64.4617 37.1503 178.3314 136 L 3.6154 8.0589 119.9530 57.7823 41.3905 179.5858 137 S 4.2595 8.2702 113.0698 61.2551 62.3183 176.3579 138 K 3.9736 8.2220 121.2914 59.4780 31.7313 179.3413 139 I 3.6287 7.8015 120.1351 64.7067 37.0456 178.1898 140 Y 4.3839 7.9769 117.8770 61.3256 37.5870 178.3172 141 H 4.1842 8.3636 117.2823 58.8601 28.7405 177.8038 142 I 3.8848 7.8509 121.5008 64.5657 36.9827 178.1022 143 E 3.9931 8.5323 119.6746 59.7686 29.4472 179.3819 144 N 4.3734 8.3313 116.2023 56.2937 38.5503 177.3520 145 E 3.9939 8.3864 120.0169 59.4478 29.5132 179.3834 146 I 3.6708 8.1325 119.9262 64.3941 37.1811 178.1803 147 A 3.9979 8.1185 121.5050 55.2064 18.0975 179.6867 148 R 3.8049 7.9107 116.6601 59.5705 30.2197 178.7064 149 I 3.6765 7.8922 119.6293 64.4376 36.9122 178.3325 150 K 3.8925 8.3506 119.5961 59.6008 31.6837 179.2922 151 K 3.9739 7.8372 118.4792 59.3270 32.1897 178.4120 152 L 4.1558 7.9712 118.8648 57.3831 41.7155 178.7030 153 I 4.2249 7.7037 109.4364 60.3197 38.1233 175.9243 154 G 4.0577 7.7097 115.2048 46.1398 0.0000 173.4633 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 4.60 0.00 2.65 1.81 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 4 I 8.18 4.18 1.87 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 1.41 0.81 0.91 0.00 0.00 5 T 8.80 4.19 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 A 8.37 4.45 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 7 N 8.73 4.87 0.00 2.67 2.79 0.00 0.00 7.04 7.68 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 8 V 7.71 4.06 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 0.78 0.00 0.00 0.89 0.00 0.00 9 V 8.03 4.18 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 0.74 0.00 0.00 0.92 0.00 0.00 10 V 8.25 3.68 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 0.83 0.00 0.00 0.92 0.00 0.00 11 S 8.31 4.58 0.00 3.93 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 12 N 8.44 4.77 0.00 2.65 2.75 0.00 0.00 6.97 7.69 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 13 P 0.00 4.41 0.00 2.23 2.15 0.00 3.81 0.00 0.00 3.71 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 14 R 7.83 4.21 0.00 1.83 1.89 0.00 3.28 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 15 P 0.00 4.38 0.00 1.79 1.91 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 16 I 7.57 4.76 1.74 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 1.31 0.61 0.93 0.00 0.00 17 F 9.16 4.81 0.00 3.03 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 18 T 8.41 5.08 4.28 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 1.09 0.00 0.00 19 E 9.17 4.23 0.00 2.18 1.94 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 2.46 2.43 0.00 20 S 8.48 4.52 0.00 3.87 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 21 R 7.97 4.65 0.00 1.77 1.93 0.00 3.35 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 22 S 7.61 4.74 0.00 3.96 3.81 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 23 F 8.54 4.71 0.00 2.94 3.08 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 0.00 0.00 0.00 24 K 7.46 4.38 0.00 1.77 1.57 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.44 7.81 25 A 8.15 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 26 V 8.66 4.17 2.15 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 1.11 0.00 0.00 1.04 0.00 0.00 27 A 7.75 4.54 1.25 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 0.00 0.00 0.00 28 N 8.78 4.24 0.00 2.91 2.91 0.00 0.00 7.05 7.20 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 29 G 7.87 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 0.00 0.00 0.00 0.00 30 K 9.35 5.13 0.00 1.70 1.39 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.36 7.81 31 I 8.41 5.00 1.62 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.40 0.76 0.00 0.00 32 Y 9.11 5.12 0.00 3.03 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 33 I 9.41 4.97 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.00 0.70 0.00 0.00 34 G 8.79 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 35 Q 8.87 4.66 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 36 I 8.44 3.90 1.88 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 1.43 0.54 0.96 0.00 0.00 37 D 9.07 4.55 0.00 2.84 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 38 T 7.58 4.58 4.28 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 1.31 0.00 0.00 39 D 8.31 4.56 0.00 2.61 2.58 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 0.00 0.00 0.00 0.00 40 P 0.00 4.62 0.00 2.36 2.35 0.00 4.03 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 41 V 7.58 2.93 1.94 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 0.10 0.00 0.00 0.42 0.00 0.00 42 N 7.79 4.41 0.00 2.68 2.84 0.00 0.00 7.05 7.58 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 43 P 0.00 4.39 0.00 2.21 2.10 0.00 3.62 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 2.10 2.08 0.00 44 A 8.07 4.09 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 45 N 8.35 4.72 0.00 3.00 2.88 0.00 0.00 6.85 7.76 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 46 Q 7.77 4.66 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 47 I 7.53 4.73 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 1.24 0.65 0.96 0.00 0.00 48 P 0.00 4.20 0.00 1.88 1.87 0.00 3.63 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 2.07 2.09 0.00 49 V 7.94 4.56 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 0.72 0.00 0.00 0.82 0.00 0.00 50 Y 8.61 5.14 0.00 2.92 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 51 I 8.63 4.30 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.37 0.96 0.00 0.00 52 E 8.69 4.75 0.00 2.07 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 2.22 2.09 0.00 53 N 9.22 4.73 0.00 2.85 2.73 0.00 0.00 6.61 7.54 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 54 E 8.64 3.97 0.00 1.95 2.02 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 2.32 2.31 0.00 55 D 7.99 4.48 0.00 2.77 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 56 G 8.18 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 57 S 8.33 4.50 0.00 3.87 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 58 H 8.52 5.48 0.00 2.87 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.72 4.49 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 0.70 0.00 0.00 0.84 0.00 0.00 60 Q 9.07 4.37 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 61 I 8.02 4.61 1.58 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 0.86 0.66 0.21 0.00 0.00 62 T 8.40 4.17 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 1.26 0.00 0.00 63 Q 8.13 4.48 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 64 P 0.00 4.26 0.00 1.56 0.62 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 65 L 8.38 4.18 0.00 1.43 1.51 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.27 4.80 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.88 0.00 0.00 67 I 8.21 4.87 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.77 1.03 0.00 0.00 68 N 8.98 4.89 0.00 2.83 2.99 0.00 0.00 6.55 6.88 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 69 A 8.49 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.11 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 71 G 8.51 3.97 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 0.00 0.00 0.00 72 K 8.40 5.10 0.00 1.83 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.41 7.81 73 I 8.38 4.52 1.94 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 1.22 0.67 0.96 0.00 0.00 74 V 8.70 5.06 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 0.70 0.00 0.00 0.97 0.00 0.00 75 Y 8.70 4.51 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.21 3.92 0.00 2.71 2.83 0.00 0.00 7.27 7.98 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 77 G 8.58 3.96 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 0.00 0.00 0.00 78 Q 7.82 4.69 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 79 L 8.41 4.59 0.00 1.64 1.63 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.19 4.63 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 0.78 0.00 0.00 0.99 0.00 0.00 81 K 8.58 4.51 0.00 1.87 1.70 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 82 I 8.43 5.11 1.89 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 1.36 1.00 0.94 0.00 0.00 83 V 9.03 4.79 2.15 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 0.96 0.00 0.00 1.13 0.00 0.00 84 T 8.38 4.96 4.47 0.00 0.00 0.00 0.00 0.00 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 85 V 8.27 3.87 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 0.83 0.00 0.00 0.97 0.00 0.00 86 Q 7.74 4.73 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 87 G 8.34 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 88 H 8.55 5.19 0.00 3.34 3.37 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.96 4.96 0.00 3.99 4.28 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 90 M 8.95 5.44 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 91 A 9.35 5.33 1.57 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 0.00 0.00 92 I 8.57 4.96 1.87 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 1.11 1.06 0.92 0.00 0.00 93 Y 9.32 5.12 0.00 3.04 2.95 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 94 D 9.16 4.91 0.00 2.90 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 95 A 8.43 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.35 4.55 0.00 2.91 2.90 0.00 0.00 7.20 7.22 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 97 G 8.44 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 0.00 0.00 0.00 98 S 8.02 4.51 0.00 3.91 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 99 Q 8.56 3.76 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.11 1.75 0.00 100 V 8.75 3.98 2.15 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 0.79 0.00 0.00 1.05 0.00 0.00 101 D 7.49 4.73 0.00 2.75 2.46 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 0.00 0.00 0.00 0.00 102 Y 8.35 5.28 0.00 3.06 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 0.00 103 I 8.09 4.36 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.85 0.80 0.00 0.00 104 A 8.31 3.85 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 0.00 105 N 7.72 5.05 0.00 2.67 2.64 0.00 0.00 6.67 7.71 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 0.00 106 V 8.97 4.36 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 0.84 0.00 0.00 0.92 0.00 0.00 107 L 8.29 4.42 0.00 1.48 1.36 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.24 4.47 0.00 1.67 1.61 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.46 7.81 109 Y 8.53 4.68 0.00 3.04 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 0.00 110 D 8.59 4.87 0.00 2.99 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 0.00 111 P 0.00 4.48 0.00 2.21 2.15 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 112 D 8.14 4.51 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.20 3.86 0.00 2.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 114 Y 7.94 3.84 0.00 3.24 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 0.00 115 S 8.13 4.20 0.00 4.05 4.14 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 0.00 116 I 7.79 3.75 1.93 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 1.50 0.72 0.86 0.00 0.00 117 E 8.36 3.91 0.00 1.96 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 2.28 2.17 0.00 118 A 8.21 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.38 4.31 0.00 2.84 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 0.00 120 K 8.38 3.92 0.00 1.91 1.86 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.60 7.81 121 K 8.40 3.88 0.00 1.93 1.99 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 122 F 8.47 3.90 0.00 3.25 3.18 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 0.00 123 K 8.29 4.03 0.00 2.10 2.00 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.51 7.81 124 L 7.92 3.90 0.00 2.00 1.75 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.75 3.64 1.66 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 1.34 0.57 0.81 0.00 0.00 126 K 7.82 3.75 0.00 1.65 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.42 7.81 127 Q 8.24 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 128 I 7.75 3.69 1.96 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 1.50 0.59 0.88 0.00 0.00 129 E 8.37 4.01 0.00 1.90 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 2.55 2.38 0.00 130 D 8.41 4.33 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 131 K 8.19 3.94 0.00 1.98 1.92 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 132 I 8.22 3.67 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.89 0.00 0.00 133 E 8.35 3.96 0.00 2.11 2.01 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 2.49 2.47 0.00 134 E 8.37 3.93 0.00 2.03 2.15 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 2.29 2.34 0.00 135 I 8.06 3.65 2.03 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 1.49 0.50 0.84 0.00 0.00 136 L 8.06 3.62 0.00 1.78 1.51 0.99 0.89 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 0.00 137 S 8.27 4.26 0.00 3.97 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 0.00 138 K 8.22 3.97 0.00 2.00 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 139 I 7.80 3.63 1.63 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 1.43 0.70 0.75 0.00 0.00 140 Y 7.98 4.38 0.00 2.93 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 0.00 141 H 8.36 4.18 0.00 3.44 3.38 0.00 5.82 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 0.00 142 I 7.85 3.88 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.92 0.00 0.00 143 E 8.53 3.99 0.00 2.27 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 2.62 0.00 144 N 8.33 4.37 0.00 2.93 2.87 0.00 0.00 7.06 6.95 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 0.00 145 E 8.39 3.99 0.00 2.18 2.01 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 2.35 2.50 0.00 146 I 8.13 3.67 2.02 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 1.46 0.78 0.92 0.00 0.00 147 A 8.12 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.91 3.80 0.00 1.94 2.13 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 149 I 7.89 3.68 2.01 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 1.53 0.82 0.91 0.00 0.00 150 K 8.35 3.89 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 151 K 7.84 3.97 0.00 1.89 1.95 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 152 L 7.97 4.16 0.00 1.93 1.73 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.70 4.22 1.87 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 1.74 0.58 0.94 0.00 0.00 154 G 7.71 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00