NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4290 8.3049 118.1897 54.8167 32.8506 174.4485 2 T 3.7985 8.0527 115.6689 62.5755 69.5829 170.3656 3 E 4.9837 9.1791 127.5501 54.5257 32.9665 173.9604 4 Y 4.6913 9.0861 125.2047 56.3977 40.2752 175.4262 5 K 4.6694 9.0365 125.9183 55.6300 32.6437 175.8871 6 L 4.9639 9.0495 126.1174 52.9956 44.3382 175.9487 7 V 4.7093 8.4123 122.2289 61.0716 34.6311 174.2422 8 V 4.6833 8.8976 128.2955 61.5941 33.0479 174.8483 9 V 4.4468 10.0127 121.0906 58.9118 35.8115 175.6604 10 G 3.6485 7.9961 109.2324 43.8360 0.0000 171.9573 11 A 4.4313 7.0401 121.8608 50.8305 18.9991 177.3902 12 G 3.7474 8.5658 109.1772 47.3645 0.0000 174.1428 13 G 3.9589 8.8972 110.2734 45.8500 0.0000 174.7503 14 V 3.7936 7.2742 111.6292 61.9279 32.0091 177.1121 15 G 4.2446 8.3563 109.4171 45.6291 0.0000 175.9770 16 K 3.8893 8.4572 120.9521 59.4192 32.0580 179.2215 17 S 4.2587 8.2147 115.9149 60.8610 62.8661 176.3777 18 A 3.7667 7.7666 122.9777 54.9686 18.1980 179.4424 19 L 3.9380 8.0485 117.5207 58.2979 41.7516 179.8608 20 T 3.6320 7.6947 115.3687 66.8074 68.3111 176.8861 21 I 3.4176 7.7902 121.7711 63.8706 36.8417 178.3994 22 Q 4.0446 7.8785 122.1786 58.3316 28.6678 177.8185 23 L 3.7262 7.5339 120.3321 57.9905 42.1344 178.4142 24 I 3.9890 7.2209 117.9584 62.5627 37.6309 176.6132 25 Q 4.4873 7.9146 115.4299 54.6942 30.0234 175.1279 26 N 4.6392 8.5383 113.4386 53.2457 35.6423 173.3387 27 H 4.9296 7.6473 110.5936 54.2588 31.6298 171.3966 28 F 4.9092 8.6795 122.5523 56.5534 40.5851 175.0309 29 V 3.9229 7.4996 127.4599 61.1910 32.1026 175.3467 30 D 4.0308 8.2044 127.7899 55.9834 41.0993 176.2435 31 E 4.5147 7.8133 115.7054 54.5076 31.2481 174.2170 32 F 4.7745 8.4664 124.9508 55.6592 42.6769 173.7809 33 D 4.4257 7.4020 124.9137 52.9506 41.7360 174.4359 34 P 4.3885 0.0000 0.0000 63.2923 31.9800 175.8961 35 T 4.4506 8.0859 117.6967 62.8031 69.9205 174.9562 36 I 3.8509 8.1258 126.2350 61.7280 37.9797 175.7808 37 E 5.2360 7.2951 116.3962 55.9483 32.2089 174.8512 38 D 5.1089 8.9069 126.3066 52.6212 45.7774 174.5381 39 S 5.3122 8.3906 114.4885 56.9585 66.2697 172.7474 40 Y 4.8232 9.0936 119.3524 56.2420 41.7739 174.4457 41 R 5.1696 8.5409 122.0090 54.6438 33.5061 174.2230 42 K 4.5809 8.9576 126.1447 55.2909 36.2755 174.0962 43 Q 4.7910 8.7126 128.9477 55.8482 30.0614 174.8843 44 V 4.6334 9.0330 118.8333 59.9171 37.1776 174.2243 45 V 4.6094 8.2931 120.3308 61.2362 33.3883 174.5522 46 I 4.0297 8.2347 127.9557 60.1989 39.1691 175.3901 47 D 4.0571 9.5251 126.6542 55.4495 38.1335 175.0640 48 G 3.8333 8.3698 104.4233 45.5549 0.0000 173.2437 49 E 4.4819 7.7718 121.6261 54.3420 30.7494 174.9754 50 T 4.5783 8.4372 123.8617 63.3386 69.2868 173.4752 51 C 4.9268 8.9579 120.4728 57.0702 34.3102 172.0346 52 L 5.1157 9.1658 120.8990 53.2921 44.3587 174.8602 53 L 5.0663 9.2717 126.9285 53.5245 43.5545 175.0075 54 D 5.2106 8.8744 125.3471 52.8587 43.0004 174.9658 55 I 4.9691 9.0579 128.0166 59.4748 39.9779 174.4490 56 L 4.9628 9.3077 130.3221 53.8341 43.6310 174.4684 57 D 5.1844 9.5514 127.6168 53.1855 42.6151 175.8054 58 T 4.5780 8.1048 116.4761 59.8147 71.3899 174.1862 59 A 4.1057 8.4481 125.0599 51.8696 19.0208 177.8226 60 G 3.9154 8.5933 113.6222 47.5902 0.0000 175.3998 61 Q 4.2813 7.8851 120.5710 55.3602 28.9682 181.1942 62 E 4.3625 9.0813 119.3884 59.0562 30.0729 178.9621 63 E 4.0971 7.7231 109.9955 57.5753 29.6813 180.9154 64 Y 4.6022 8.0821 117.0864 58.2351 40.9104 174.5212 *72 M 4.5756 8.5099 118.0654 56.3269 34.0767 178.6868 73 R 4.1238 8.1092 116.6165 59.3070 30.4484 177.3235 74 T 4.2505 7.9254 105.5332 61.9212 69.4391 175.1458 75 G 3.5236 7.7118 112.6181 46.0797 0.0000 173.3280 76 E 4.4707 9.0572 122.6787 57.2221 31.1174 176.7031 77 G 4.3028 7.4676 104.6659 44.5831 0.0000 171.6902 78 F 5.3023 8.9490 120.4493 55.2398 42.6084 173.9518 79 L 4.6619 8.9557 126.7886 54.2564 43.3460 175.1849 80 C 4.9136 9.2587 126.3081 58.6370 29.0654 172.8411 81 V 4.9085 8.7712 125.6024 60.9962 33.5854 174.6070 82 F 5.1056 9.0778 121.6684 55.1042 42.2340 172.9762 83 A 5.1468 8.6442 120.5708 49.8486 20.8850 178.1422 84 I 4.0584 8.7822 116.0143 62.7700 37.8041 176.9391 85 N 5.2364 8.0198 118.2792 52.3511 37.4588 174.8232 86 N 4.9291 8.2574 118.7684 51.9921 39.8961 174.4431 87 T 3.9797 8.4741 121.2338 66.0540 68.8494 175.5703 88 K 4.1325 8.1609 121.2898 59.6338 32.0390 178.6358 89 S 4.2712 8.2020 112.8692 61.5262 63.0383 175.9807 90 F 4.0050 8.0120 123.8672 61.1099 38.9910 177.0726 91 E 3.8380 8.4586 116.9206 58.7577 29.3676 178.0745 92 D 4.7485 7.7653 117.1099 54.3766 41.2979 178.2639 93 I 3.9150 7.6053 122.3718 64.7775 37.1498 177.3609 94 H 4.4410 8.2677 119.8386 58.6842 29.4648 176.8399 95 Q 3.8424 7.8380 119.6214 59.3996 28.4556 178.7387 96 Y 3.9836 7.8206 116.9383 60.8783 37.8658 178.3148 97 R 3.7057 7.9858 119.7808 59.2035 30.0573 178.4521 98 E 3.7478 7.8844 118.3362 59.4419 29.5127 179.0819 99 Q 3.8749 7.9603 119.4598 59.0828 28.9702 178.3315 100 I 3.3111 7.4559 120.6111 64.3992 37.2863 178.5301 101 K 4.1814 7.9982 120.6497 58.6418 31.5167 179.4547 102 R 3.8189 7.4858 118.3353 59.6232 30.2455 178.7230 103 V 3.7573 8.0594 111.2388 64.1021 31.6013 178.3374 104 K 4.1666 8.1140 117.3648 56.7258 32.1388 176.8927 105 D 4.5819 8.7596 117.0167 54.7089 38.4853 173.7138 106 S 4.6121 7.6220 110.9263 57.3819 65.2926 173.7719 107 D 4.7551 8.6275 124.6686 54.6162 41.3373 176.6265 108 D 4.9161 8.3540 119.6821 51.8086 40.6904 173.8745 109 V 4.4213 7.4488 119.6875 59.4312 34.6811 173.2752 110 P 4.4175 0.0000 0.0000 63.3396 32.1998 174.8659 111 M 5.2098 8.3264 121.5953 54.6722 35.3812 173.6364 112 V 4.5462 8.7260 124.5723 60.9380 35.3479 173.9133 113 L 4.9561 8.8618 129.9561 54.5548 43.5946 175.2741 114 V 4.6104 9.2565 126.6802 61.0675 34.5259 174.3749 115 G 3.3078 8.4910 116.0832 44.5966 0.0000 172.4661 116 N 5.0671 8.5252 126.5717 50.8969 41.8407 174.4241 117 K 4.1083 8.3411 116.7673 57.7059 29.0655 177.2782 118 C 4.3853 8.2511 112.8386 59.1089 29.8501 174.0836 119 D 4.4076 7.7723 120.1303 55.5515 39.5914 176.6792 120 L 4.2247 7.5490 119.7565 54.1747 42.2675 176.6498 121 A 4.2756 8.4629 123.5911 52.7630 19.4871 177.2731 122 A 4.4646 7.5107 119.6783 51.3809 18.8165 178.3442 123 R 4.1721 7.8641 122.0900 57.3311 30.7788 175.8076 124 T 4.4405 8.8920 114.4408 60.9296 70.2652 173.8107 125 V 4.0537 7.5542 122.1965 60.8867 32.8192 175.3626 126 E 4.1680 8.2982 127.6935 55.7632 31.2821 177.6032 127 S 4.1417 8.5897 117.3731 61.8543 62.3909 176.8418 128 R 3.8279 7.9420 120.4960 59.5977 29.7985 178.2605 129 Q 3.8941 7.8799 116.9002 58.9829 28.7089 178.6106 130 A 3.9558 7.3062 121.8064 54.9988 18.1805 179.6748 131 Q 3.8477 7.9267 116.8189 59.2229 28.9252 178.8438 132 D 4.2672 8.1320 119.8969 57.0552 40.6833 178.5351 133 L 3.5808 7.8864 120.5700 58.0592 42.0230 178.8611 134 A 4.0121 8.1499 121.0322 55.2848 18.4471 179.6159 135 R 3.8611 8.2505 117.5784 59.4261 29.9111 178.8754 136 S 4.1881 7.6950 112.8736 60.9503 63.2771 175.2213 137 Y 4.7717 7.6489 119.3648 57.5184 37.8437 176.0034 138 G 4.2125 8.0691 107.6898 46.4158 0.0000 173.1854 139 I 4.8662 7.8850 111.2234 57.8908 41.1911 173.3225 140 P 4.6273 0.0000 0.0000 62.7541 32.7736 174.5113 141 Y 5.4889 8.5562 122.9185 56.0675 41.2253 174.8704 142 I 4.3024 8.1338 126.3186 59.4934 41.5785 174.1136 143 E 4.7462 8.2671 126.1591 55.4027 31.3567 175.2658 144 T 4.9312 8.7608 112.9312 60.0622 73.3422 172.7931 145 S 4.6483 8.9240 116.5008 56.4361 64.6741 174.6888 146 A 4.0622 8.4874 130.2901 54.5339 18.6070 178.6644 147 K 2.8400 7.6640 116.7270 59.0518 32.2071 177.8348 148 T 4.0349 7.4665 105.5084 61.0505 69.5751 175.5492 149 R 3.8007 7.9973 121.8987 56.2085 29.9747 175.2269 150 Q 4.0033 7.7121 118.8773 58.3973 29.3101 177.6584 151 G 3.9178 8.8227 111.2402 46.1152 0.0000 175.4570 152 V 3.4798 7.5861 119.5215 66.0635 31.5607 177.6901 153 E 3.3644 7.9094 117.6930 59.2245 29.2173 178.5733 154 D 4.3471 8.0656 118.2234 57.5285 40.9029 178.9748 155 A 3.8181 7.9939 120.7583 55.2978 18.4165 179.7780 156 F 4.0495 7.8816 116.0186 60.9155 38.9194 177.6932 157 Y 4.3900 8.5168 116.8804 61.3318 37.5405 178.4719 158 T 3.8705 8.3560 117.1829 66.5071 68.5684 176.3158 159 L 3.9136 7.8696 122.1051 58.0813 42.0617 179.0023 160 V 3.3063 7.8740 118.1456 66.2689 31.3803 178.3357 161 R 3.8945 8.1387 117.5215 59.0577 29.5799 178.9626 162 E 4.0295 8.1830 118.3123 59.3899 29.7606 179.0180 163 I 3.9419 7.9335 119.9061 64.4672 36.9529 178.6506 164 R 4.0829 8.0513 118.0753 59.4642 30.0021 178.8261 165 Q 4.1978 8.0296 116.2676 58.2122 28.8453 176.4784 166 H 4.5420 7.8713 121.2421 55.9334 29.0650 174.8222 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 M 8.30 4.43 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 T 8.05 3.80 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 0.68 0.00 0.00 3 E 9.18 4.98 0.00 1.86 1.68 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 2.13 2.28 0.00 4 Y 9.09 4.69 0.00 2.91 2.88 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 5 K 9.04 4.67 0.00 1.72 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.40 7.81 6 L 9.05 4.96 0.00 1.64 1.61 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.41 4.71 1.69 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 1.15 0.00 0.00 0.67 0.00 0.00 8 V 8.90 4.68 2.12 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 0.89 0.00 0.00 1.04 0.00 0.00 9 V 10.01 4.45 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 0.87 0.00 0.00 1.06 0.00 0.00 10 G 8.00 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.04 4.43 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 12 G 8.57 3.75 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 0.00 0.00 0.00 13 G 8.90 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 14 V 7.27 3.79 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 0.78 0.00 0.00 0.93 0.00 0.00 15 G 8.36 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 0.00 0.00 0.00 0.00 16 K 8.46 3.89 0.00 1.80 1.96 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 S 8.21 4.26 0.00 3.82 3.56 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 0.00 0.00 0.00 0.00 18 A 7.77 3.77 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 19 L 8.05 3.94 0.00 1.94 1.86 0.83 0.70 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 20 T 7.69 3.63 4.05 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 0.00 0.00 0.42 0.00 0.00 21 I 7.79 3.42 1.50 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.33 0.66 0.00 0.00 22 Q 7.88 4.04 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 23 L 7.53 3.73 0.00 1.15 1.19 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.22 3.99 1.70 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 1.27 0.67 0.96 0.00 0.00 25 Q 7.91 4.49 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 26 N 8.54 4.64 0.00 2.88 2.91 0.00 0.00 7.06 8.16 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 27 H 7.65 4.93 0.00 3.33 3.36 0.00 5.63 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 28 F 8.68 4.91 0.00 3.00 3.01 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 29 V 7.50 3.92 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 1.08 0.00 0.00 0.73 0.00 0.00 30 D 8.20 4.03 0.00 2.64 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 31 E 7.81 4.51 0.00 2.00 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 2.17 2.21 0.00 32 F 8.47 4.77 0.00 2.85 2.93 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 33 D 7.40 4.43 0.00 2.40 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 0.00 0.00 0.00 0.00 34 P 0.00 4.39 0.00 2.10 1.99 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 35 T 8.09 4.45 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 1.33 0.00 0.00 36 I 8.13 3.85 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 1.14 0.00 0.00 37 E 7.30 5.24 0.00 1.99 1.84 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 2.07 2.20 0.00 38 D 8.91 5.11 0.00 2.72 2.40 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 39 S 8.39 5.31 0.00 3.83 3.78 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 40 Y 9.09 4.82 0.00 2.79 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 41 R 8.54 5.17 0.00 1.78 1.76 0.00 3.26 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 42 K 8.96 4.58 0.00 1.85 1.57 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.39 7.81 43 Q 8.71 4.79 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 44 V 9.03 4.63 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 0.65 0.00 0.00 0.98 0.00 0.00 45 V 8.29 4.61 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 0.81 0.00 0.00 0.92 0.00 0.00 46 I 8.23 4.03 1.59 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.13 0.42 0.00 0.00 47 D 9.53 4.06 0.00 2.73 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 48 G 8.37 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 49 E 7.77 4.48 0.00 2.02 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 2.27 2.28 0.00 50 T 8.44 4.58 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 51 C 8.96 4.93 0.00 3.27 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 52 L 9.17 5.12 0.00 1.71 1.53 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.27 5.07 0.00 1.60 1.61 0.95 0.88 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 54 D 8.87 5.21 0.00 2.83 2.56 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 0.00 0.00 0.00 0.00 55 I 9.06 4.97 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 1.01 0.00 0.00 56 L 9.31 4.96 0.00 1.76 1.56 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.55 5.18 0.00 2.94 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 58 T 8.10 4.58 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 1.30 0.00 0.00 59 A 8.45 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.59 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 0.00 0.00 0.00 61 Q 7.89 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 62 E 9.08 4.36 0.00 1.89 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 2.31 1.87 0.00 63 E 7.72 4.10 0.00 2.11 1.88 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 2.26 2.16 0.00 64 Y 8.08 4.60 0.00 2.86 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 *72 M 8.51 4.58 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.94 0.00 73 R 8.11 4.12 0.00 1.89 2.03 0.00 3.29 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 74 T 7.93 4.25 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 75 G 7.71 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.47 0.00 2.00 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 2.30 2.25 0.00 77 G 7.47 4.30 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 0.00 78 F 8.95 5.30 0.00 3.06 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 79 L 8.96 4.66 0.00 1.64 1.44 0.66 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.26 4.91 0.00 3.00 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 81 V 8.77 4.91 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 0.88 0.00 0.00 0.89 0.00 0.00 82 F 9.08 5.11 0.00 3.21 3.23 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 83 A 8.64 5.15 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 84 I 8.78 4.06 1.92 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 1.32 1.19 0.95 0.00 0.00 85 N 8.02 5.24 0.00 2.91 2.95 0.00 0.00 5.75 8.04 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 86 N 8.26 4.93 0.00 2.81 2.94 0.00 0.00 7.25 7.34 0.00 0.00 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 T 8.47 3.98 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 1.33 0.00 0.00 88 K 8.16 4.13 0.00 1.91 1.88 0.00 1.66 0.00 0.00 1.91 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.63 7.81 89 S 8.20 4.27 0.00 4.22 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 0.00 90 F 8.01 4.00 0.00 2.70 3.16 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 91 E 8.46 3.84 0.00 2.10 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 2.38 2.63 0.00 92 D 7.77 4.75 0.00 2.94 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 93 I 7.61 3.91 1.80 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 1.09 0.00 0.00 94 H 8.27 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0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 103 V 8.06 3.76 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 0.84 0.00 0.00 0.99 0.00 0.00 104 K 8.11 4.17 0.00 1.72 1.89 0.00 1.88 0.00 0.00 1.94 0.00 0.00 3.41 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.58 7.81 105 D 8.76 4.58 0.00 2.90 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 0.00 106 S 7.62 4.61 0.00 3.81 3.64 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 0.00 0.00 0.00 0.00 107 D 8.63 4.76 0.00 2.71 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 0.00 108 D 8.35 4.92 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.45 4.42 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 1.06 0.00 0.00 0.93 0.00 0.00 110 P 0.00 4.42 0.00 2.14 1.96 0.00 3.85 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 2.20 1.85 0.00 111 M 8.33 5.21 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 112 V 8.73 4.55 2.03 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 0.89 0.00 0.00 0.93 0.00 0.00 113 L 8.86 4.96 0.00 2.10 1.98 1.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.26 4.61 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 0.76 0.00 0.00 0.75 0.00 0.00 115 G 8.49 3.31 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 0.00 0.00 0.00 0.00 116 N 8.53 5.07 0.00 2.63 2.67 0.00 0.00 7.08 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 0.00 117 K 8.34 4.11 0.00 1.99 1.86 0.00 1.90 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.38 7.81 118 C 8.25 4.39 0.00 2.99 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 0.00 119 D 7.77 4.41 0.00 2.71 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 0.00 120 L 7.55 4.22 0.00 1.76 1.62 0.93 0.82 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 0.00 121 A 8.46 4.28 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 0.00 122 A 7.51 4.46 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 0.00 123 R 7.86 4.17 0.00 1.78 1.86 0.00 3.28 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 124 T 8.89 4.44 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 0.00 125 V 7.55 4.05 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 -0.27 0.00 0.00 0.86 0.00 0.00 126 E 8.30 4.17 0.00 1.90 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 2.28 2.42 0.00 127 S 8.59 4.14 0.00 3.99 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 0.00 128 R 7.94 3.83 0.00 1.93 1.87 0.00 3.26 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 129 Q 7.88 3.89 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 130 A 7.31 3.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 3.85 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 132 D 8.13 4.27 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 133 L 7.89 3.58 0.00 1.75 1.72 0.42 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.15 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.25 3.86 0.00 1.98 1.90 0.00 3.09 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 136 S 7.69 4.19 0.00 4.02 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 0.00 137 Y 7.65 4.77 0.00 3.13 2.92 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 0.00 138 G 8.07 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 0.00 0.00 0.00 139 I 7.89 4.87 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 1.05 0.00 0.00 140 P 0.00 4.63 0.00 2.13 2.04 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 141 Y 8.56 5.49 0.00 2.93 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 0.00 142 I 8.13 4.30 1.67 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 1.11 0.71 0.73 0.00 0.00 143 E 8.27 4.75 0.00 1.72 1.69 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 2.04 1.94 0.00 144 T 8.76 4.93 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 1.05 0.00 0.00 145 S 8.92 4.65 0.00 3.72 3.58 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 0.00 146 A 8.49 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.66 2.84 0.00 0.79 1.32 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 0.66 7.81 148 T 7.47 4.03 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 1.08 0.00 0.00 149 R 8.00 3.80 0.00 2.00 2.00 0.00 3.19 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 150 Q 7.71 4.00 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.64 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 151 G 8.82 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 0.00 0.00 0.00 152 V 7.59 3.48 2.11 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 1.07 0.00 0.00 0.94 0.00 0.00 153 E 7.91 3.36 0.00 1.82 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 1.98 2.18 0.00 154 D 8.07 4.35 0.00 2.85 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 0.00 155 A 7.99 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 7.88 4.05 0.00 2.94 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 0.00 157 Y 8.52 4.39 0.00 2.96 2.88 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 0.00 158 T 8.36 3.87 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 1.22 0.00 0.00 159 L 7.87 3.91 0.00 1.74 1.86 1.01 0.84 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 0.00 160 V 7.87 3.31 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 0.18 0.00 0.00 0.77 0.00 0.00 161 R 8.14 3.89 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 162 E 8.18 4.03 0.00 2.12 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 0.00 2.57 2.52 0.00 163 I 7.93 3.94 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.17 1.13 0.00 0.00 164 R 8.05 4.08 0.00 1.99 2.04 0.00 3.11 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 165 Q 8.03 4.20 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 166 H 7.87 4.54 0.00 3.38 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.