NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 T 4.3735 8.2745 112.9194 59.5066 70.8767 171.5743 *4 K 4.3068 8.4813 131.5268 53.6450 32.2383 178.1777 5 Q 4.3933 9.5371 124.1417 57.7971 28.6546 172.3479 6 R 4.0215 8.4983 124.2945 56.0757 30.7297 178.2497 7 A 4.2306 8.5445 125.3186 54.5836 18.9268 178.4984 8 D 4.5148 8.1545 115.1726 55.3425 39.9706 177.0170 9 I 4.4368 7.5829 110.5635 59.8549 39.1700 176.8648 10 V 4.1512 7.0103 118.4225 61.5627 30.7351 175.9379 *12 S 4.2427 8.3458 112.7873 58.3094 65.3086 173.6832 13 E 3.8895 8.7347 122.7360 59.9613 29.1835 179.2645 14 A 4.0842 7.9399 119.8590 55.0716 18.5817 179.3008 15 E 3.9713 8.4017 117.2810 59.4458 29.4433 179.6741 16 I 3.7500 8.0834 119.7926 64.2675 37.2514 177.9269 17 A 4.0689 8.0284 121.6472 55.7212 18.1065 179.3589 18 D 4.3701 8.1232 116.9732 57.5754 40.8000 179.0385 19 F 4.2084 8.3989 121.1282 61.2235 39.2030 177.4236 20 V 3.6762 8.1977 117.3579 66.2302 31.4422 177.5213 21 N 4.4826 8.1188 115.1569 56.2912 38.4143 177.2556 22 S 4.2220 8.0788 115.9982 60.2151 63.2845 175.2905 23 S 4.2205 7.2890 116.5373 58.5139 63.3527 173.8777 24 R 4.2443 8.4698 119.8556 57.1712 31.8432 176.5400 25 T 5.0887 8.0169 112.7550 61.8429 71.6446 173.7075 26 G 3.9463 9.1487 111.8173 44.6116 0.0000 170.9564 27 T 5.0486 8.0825 116.2550 61.6079 70.6721 173.8469 28 L 5.2152 8.8155 128.9151 53.6349 44.5007 174.7654 29 A 5.3973 9.3240 128.0739 50.4439 21.7330 175.6204 30 T 4.7238 8.6712 112.4909 60.0181 72.6820 172.9399 31 I 4.5567 8.0955 122.1930 59.3018 38.4852 176.6990 32 G 3.6396 8.8674 117.3634 44.2166 0.0000 172.3430 33 P 4.2147 0.0000 0.0000 64.8935 31.2606 176.9056 34 D 4.6887 8.2075 116.7200 52.8385 39.4421 177.2906 35 G 3.9092 8.1702 109.2436 45.3393 0.0000 174.1158 36 Q 4.0594 7.8804 122.0196 55.5587 30.0178 173.8144 37 P 4.7955 0.0000 0.0000 63.0412 32.3986 175.2637 38 H 4.9921 9.3796 122.3696 54.2491 30.7326 173.4320 39 L 5.4170 8.6070 123.7856 53.2333 43.7785 176.1914 40 T 4.7880 8.7023 112.2842 60.0386 72.4269 173.2139 41 A 5.1205 8.4105 124.9566 50.1339 20.6251 176.4372 *43 W 5.2347 8.5313 117.9073 57.3739 30.1735 174.1581 44 Y 5.1934 8.7618 116.9718 56.2569 40.8372 173.9282 45 A 4.8203 9.4093 122.3036 50.7226 21.8224 176.3310 46 V 4.9251 8.5456 119.1826 61.2890 34.3006 175.3311 47 I 4.4349 8.8066 128.5867 60.6763 40.2750 175.3239 48 D 4.5607 9.9846 126.6155 55.4017 38.2522 174.9140 49 G 4.0244 8.5760 105.7080 45.2830 0.0000 173.5283 50 E 4.6592 7.9718 119.2680 54.2001 32.3180 175.0859 51 I 4.5648 7.8518 123.0724 61.0374 38.4883 174.9611 52 W 5.3783 9.4426 126.0676 54.8969 33.1501 174.4539 53 L 5.3839 9.0996 122.6483 52.8908 45.1059 175.0574 54 E 5.3186 8.7377 118.0107 55.1785 32.0705 174.9376 55 T 4.7425 8.5185 115.3615 60.3953 71.8289 172.8092 56 K 4.4907 8.6983 124.3786 56.2436 32.7207 177.9652 57 A 3.9858 8.3831 127.0394 54.9966 18.3635 178.8431 58 K 4.5457 7.8200 112.1981 56.2023 32.7957 177.1490 59 S 4.3710 7.8142 115.3445 57.9982 64.9188 174.4732 60 Q 3.9937 8.7101 123.6696 59.5267 28.6594 179.1572 61 K 4.0859 8.0248 119.0018 59.8832 32.7511 178.9718 62 A 4.0053 7.8658 122.1072 54.7751 18.1445 179.8176 63 V 3.5411 7.9343 116.8079 66.2282 31.5527 177.9528 64 N 4.3481 8.6099 116.6685 56.4888 38.2903 177.3417 65 L 4.2990 7.9183 121.2994 56.7988 41.4963 179.6155 66 R 4.0830 7.6569 117.3753 58.9165 30.1100 178.5363 67 R 4.3041 7.6026 118.0887 57.9978 29.9305 176.0454 68 D 4.4148 8.2753 119.7306 52.5965 42.9237 173.3233 69 P 4.7358 0.0000 0.0000 63.3495 32.4104 176.6949 70 R 4.5559 7.9785 120.0615 56.3579 30.4730 176.5953 71 V 4.8608 8.7883 115.9481 59.8312 36.5906 174.6350 72 S 5.3541 8.9430 117.8588 57.0086 67.1437 173.0586 73 F 5.3817 9.4795 124.5335 56.7143 43.1060 172.8346 74 L 5.1841 8.4230 127.4426 53.2028 45.2053 174.8083 75 L 5.0802 8.7060 125.6623 53.1113 44.8131 175.0961 76 E 5.2740 8.7234 122.3388 55.5648 33.0685 173.5928 77 D 4.6674 9.5958 124.4913 52.3625 43.2694 174.3836 78 G 4.3023 9.1113 104.6825 47.8372 0.0000 173.1854 79 D 4.8023 8.5451 121.6731 54.2208 42.4718 176.1711 80 T 4.7959 7.5973 108.5547 59.2247 71.6955 174.1942 81 Y 4.1233 8.7484 123.2210 60.8295 38.9203 178.0291 82 D 4.5170 8.2905 118.4151 55.3057 39.7288 176.9603 83 T 4.6284 7.6916 109.3291 61.1474 70.4017 174.3280 84 L 4.6097 7.5057 123.1454 55.4681 42.6671 176.3947 85 R 4.5290 8.6187 119.1209 54.7223 33.4543 174.0977 86 G 3.0695 6.6759 107.0156 45.8190 0.0000 172.2372 87 V 4.4769 7.4260 118.5012 59.9771 35.1600 173.7286 88 S 4.9276 9.1192 118.7536 56.5121 65.3611 172.3147 89 F 5.5552 9.2634 126.0639 55.8101 41.7718 174.3708 90 E 5.0844 9.0573 122.4052 54.3256 32.9306 174.9374 91 G 4.3294 8.4567 111.1322 46.9161 0.0000 172.8386 92 V 5.1505 8.4484 116.3036 59.4793 36.0329 174.5003 93 A 5.0341 8.7199 125.6986 50.3459 21.0399 175.7985 94 E 4.4953 8.3923 122.3388 54.5022 32.0291 174.7553 95 I 4.6270 8.2194 127.5169 60.4817 38.4656 175.2310 96 V 4.5479 8.8485 127.1099 60.9172 34.2391 175.4592 97 E 4.6947 8.8650 123.8421 55.5866 30.4211 175.9442 98 E 3.9796 8.2023 121.5164 56.2640 30.6248 175.5259 99 P 4.2762 0.0000 0.0000 65.9125 31.3976 178.2260 100 E 3.8460 8.7574 119.0428 58.9645 29.6249 178.6027 101 A 3.7478 7.9362 120.6646 55.1503 18.3542 179.6150 102 L 3.8978 7.9217 117.4777 58.0939 41.5661 179.2837 103 H 4.0117 8.1540 118.2475 59.2324 29.8178 177.4351 104 R 3.6485 7.7402 119.9064 59.1125 29.8316 179.1871 105 V 3.4887 7.4467 117.8779 65.9466 31.5726 178.3912 106 G 3.5730 8.1362 105.6803 47.7789 0.0000 175.8906 107 V 3.2860 7.7773 120.9807 65.5292 31.4344 178.1793 108 S 4.0478 8.0205 113.1078 61.2159 62.2481 176.3189 109 V 3.8096 8.0021 121.0995 65.6404 31.2662 177.7342 110 W 4.1494 8.4378 128.1741 60.8044 30.3927 177.8920 111 E 4.9314 8.3166 118.4098 58.8188 28.9528 179.1074 112 R 3.8284 7.7949 117.4976 57.9702 30.2584 176.7556 113 Y 4.3790 7.6840 112.2920 57.4086 39.9836 175.5817 114 T 4.0068 9.2934 114.5589 63.7656 70.6136 174.5861 115 G 4.1397 7.3130 107.4971 43.3479 0.0000 169.5893 116 P 4.6547 0.0000 0.0000 62.7004 32.0810 175.7667 117 Y 4.4875 8.7700 123.6427 56.9322 39.5936 174.6227 118 T 4.4948 7.1257 115.3637 59.1653 72.0881 173.3956 119 D 4.2473 8.4574 122.0015 57.4520 41.2375 178.3934 120 E 4.0865 7.5068 117.7132 55.7746 28.7421 177.1258 *122 K 4.5121 7.9045 121.4679 57.2013 34.4988 176.8087 123 P 4.3829 0.0000 0.0000 62.9649 30.7854 178.2946 *125 V 4.0439 7.8812 119.6500 63.0873 33.0672 176.0732 126 D 4.5099 8.6418 118.7823 57.5815 40.8465 177.6853 127 Q 4.0904 7.5195 120.3477 54.9515 26.5406 172.7383 *130 N 4.3362 7.9710 117.7517 53.7879 40.3085 174.2968 131 K 4.0383 8.7371 123.3591 57.4211 29.6806 175.0063 132 R 5.1397 7.3054 117.0363 54.6689 33.1246 175.7146 133 V 4.5395 8.7126 113.9524 59.6193 35.5065 175.2209 134 G 4.4586 9.0145 109.8796 45.5162 0.0000 173.3608 135 V 4.7570 9.1632 122.7229 60.7435 34.3125 174.1970 136 R 3.3348 8.1213 129.9960 55.0319 31.0473 175.0971 137 I 4.1838 7.9967 128.6374 60.2576 38.2323 175.4509 138 V 4.1647 8.6109 128.3806 60.8897 33.2512 174.4484 139 A 4.8120 8.4556 130.1587 51.7773 18.9756 176.8152 140 R 4.5477 8.9901 119.7847 56.2718 32.8641 176.6202 141 R 4.7408 7.9464 118.6641 54.7764 33.6112 173.9694 142 T 5.1999 8.6850 121.6086 61.9292 72.2633 173.3943 143 R 5.0767 9.0105 124.5766 54.4651 33.9354 174.6884 144 S 5.2117 9.3070 117.0996 56.7233 66.7856 172.9974 145 W 5.3252 8.2546 115.8728 55.6561 31.8435 173.6464 146 D 4.7238 9.1778 122.4831 52.6107 43.1070 175.5139 147 H 4.4040 9.7641 125.1784 57.9632 28.5746 177.7206 148 R 4.0197 8.0947 120.0305 58.8928 29.6286 178.0989 149 K 4.2879 7.8140 115.9755 57.4803 32.2223 178.4004 150 L 4.2515 7.8351 119.6537 55.1371 41.6481 177.6454 151 G 3.9192 7.7000 105.7544 46.0354 0.0000 173.8561 152 L 4.1861 7.8880 118.5590 53.4826 42.2140 175.4518 153 P 4.3279 0.0000 0.0000 62.9206 31.7223 176.2138 154 H 4.9870 8.7222 120.2342 55.5025 30.6554 173.8408 *156 S 4.2121 8.1459 114.1528 57.7011 63.7250 173.4206 157 V 3.8996 8.1388 120.6310 61.3275 32.0344 175.6529 158 G 3.9813 8.0111 110.7420 44.6694 0.0000 172.0409 159 G 3.9592 8.6215 106.7625 44.4809 0.0000 174.6121 160 S 4.1708 8.5052 112.6070 60.9309 62.8665 175.2130 161 T 4.2481 7.7735 108.5822 61.5041 69.2485 174.4232 162 A 4.1756 7.8364 130.8641 52.7143 18.4209 177.3542 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 T 8.27 4.37 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 *4 K 8.48 4.31 0.00 1.94 1.45 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.15 1.06 7.81 5 Q 9.54 4.39 0.00 2.07 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 6 R 8.50 4.02 0.00 1.93 2.08 0.00 3.16 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 7 A 8.54 4.23 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 8 D 8.15 4.51 0.00 2.78 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 9 I 7.58 4.44 1.96 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 1.50 0.83 0.90 0.00 0.00 10 V 7.01 4.15 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 0.81 0.00 0.00 0.99 0.00 0.00 *12 S 8.35 4.24 0.00 4.10 4.08 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 13 E 8.73 3.89 0.00 2.07 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 2.42 2.45 0.00 14 A 7.94 4.08 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.40 3.97 0.00 2.16 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 2.32 2.35 0.00 16 I 8.08 3.75 2.10 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 1.42 0.71 1.10 0.00 0.00 17 A 8.03 4.07 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 18 D 8.12 4.37 0.00 3.01 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 19 F 8.40 4.21 0.00 3.17 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 20 V 8.20 3.68 2.34 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 1.04 0.00 0.00 1.20 0.00 0.00 21 N 8.12 4.48 0.00 2.87 2.83 0.00 0.00 7.12 6.94 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 22 S 8.08 4.22 0.00 3.80 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 23 S 7.29 4.22 0.00 3.75 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 24 R 8.47 4.24 0.00 1.85 1.93 0.00 2.88 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 0.00 25 T 8.02 5.09 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 G 9.15 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 27 T 8.08 5.05 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 1.19 0.00 0.00 28 L 8.82 5.22 0.00 2.19 1.69 1.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.32 5.40 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 30 T 8.67 4.72 4.27 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 1.25 0.00 0.00 31 I 8.10 4.56 1.86 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 1.27 0.63 0.89 0.00 0.00 32 G 8.87 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 0.00 0.00 0.00 33 P 0.00 4.21 0.00 2.19 2.21 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 34 D 8.21 4.69 0.00 2.79 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 35 G 8.17 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 0.00 0.00 0.00 36 Q 7.88 4.06 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 P 0.00 4.80 0.00 1.99 1.99 0.00 3.70 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 2.03 2.12 0.00 38 H 9.38 4.99 0.00 3.06 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.61 5.42 0.00 1.53 1.59 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.70 4.79 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 1.23 0.00 0.00 41 A 8.41 5.12 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 *43 W 8.53 5.23 0.00 3.07 2.31 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 44 Y 8.76 5.19 0.00 3.16 3.05 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 45 A 9.41 4.82 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.93 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 1.14 0.00 0.00 47 I 8.81 4.43 1.65 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.65 0.73 0.00 0.00 48 D 9.98 4.56 0.00 2.85 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 49 G 8.58 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 0.00 0.00 0.00 50 E 7.97 4.66 0.00 2.33 1.76 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 2.16 2.26 0.00 51 I 7.85 4.56 1.38 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.45 0.19 0.00 0.00 52 W 9.44 5.38 0.00 3.17 3.06 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 53 L 9.10 5.38 0.00 1.56 1.61 0.92 0.73 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 54 E 8.74 5.32 0.00 1.97 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 2.23 2.41 0.00 55 T 8.52 4.74 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 1.24 0.00 0.00 56 K 8.70 4.49 0.00 1.76 1.72 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.46 7.81 57 A 8.38 3.99 1.32 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 58 K 7.82 4.55 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 59 S 7.81 4.37 0.00 4.07 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 60 Q 8.71 3.99 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.68 0.00 61 K 8.02 4.09 0.00 2.06 2.08 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 62 A 7.87 4.01 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 63 V 7.93 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 64 N 8.61 4.35 0.00 2.95 2.98 0.00 0.00 7.09 6.52 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 65 L 7.92 4.30 0.00 1.88 1.70 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.66 4.08 0.00 1.77 1.98 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 67 R 7.60 4.30 0.00 1.77 2.10 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 68 D 8.28 4.41 0.00 2.64 2.47 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 0.00 69 P 0.00 4.74 0.00 2.09 2.15 0.00 3.92 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 2.09 1.94 0.00 70 R 7.98 4.56 0.00 1.85 1.88 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 71 V 8.79 4.86 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 0.76 0.00 0.00 0.91 0.00 0.00 72 S 8.94 5.35 0.00 3.81 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 73 F 9.48 5.38 0.00 3.10 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 74 L 8.42 5.18 0.00 1.71 1.37 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.71 5.08 0.00 1.79 1.61 1.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.72 5.27 0.00 2.17 1.91 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 2.36 2.43 0.00 77 D 9.60 4.67 0.00 2.75 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 78 G 9.11 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 79 D 8.55 4.80 0.00 2.69 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 80 T 7.60 4.80 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 1.22 0.00 0.00 81 Y 8.75 4.12 0.00 3.11 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 82 D 8.29 4.52 0.00 2.93 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 83 T 7.69 4.63 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 84 L 7.51 4.61 0.00 1.36 1.71 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.62 4.53 0.00 1.26 1.81 0.00 2.28 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 86 G 6.68 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 0.00 0.00 0.00 87 V 7.43 4.48 1.75 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 0.62 0.00 0.00 0.38 0.00 0.00 88 S 9.12 4.93 0.00 4.13 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 89 F 9.26 5.56 0.00 3.18 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 90 E 9.06 5.08 0.00 1.92 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 2.27 2.29 0.00 91 G 8.46 4.33 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 0.00 92 V 8.45 5.15 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 0.69 0.00 0.00 0.88 0.00 0.00 93 A 8.72 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.39 4.50 0.00 1.93 1.56 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 2.15 2.20 0.00 95 I 8.22 4.63 1.86 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 1.21 0.65 0.93 0.00 0.00 96 V 8.85 4.55 2.42 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 1.32 0.00 0.00 1.04 0.00 0.00 97 E 8.86 4.69 0.00 2.10 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 2.19 2.27 0.00 98 E 8.20 3.98 0.00 2.06 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 2.39 2.34 0.00 99 P 0.00 4.28 0.00 2.28 2.29 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 100 E 8.76 3.85 0.00 2.12 2.24 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 2.30 2.20 0.00 101 A 7.94 3.75 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 0.00 102 L 7.92 3.90 0.00 1.84 1.72 1.05 1.02 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 0.00 103 H 8.15 4.01 0.00 3.20 3.39 0.00 5.79 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 0.00 104 R 7.74 3.65 0.00 1.74 1.68 0.00 3.02 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 105 V 7.45 3.49 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 1.08 0.00 0.00 0.66 0.00 0.00 106 G 8.14 3.57 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 0.00 107 V 7.78 3.29 1.72 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 0.69 0.00 0.00 -0.38 0.00 0.00 108 S 8.02 4.05 0.00 3.87 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 0.00 109 V 8.00 3.81 2.35 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 1.13 0.00 0.00 1.11 0.00 0.00 110 W 8.44 4.15 0.00 3.69 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 0.00 111 E 8.32 4.93 0.00 2.09 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 2.80 2.60 0.00 112 R 7.79 3.83 0.00 1.50 0.91 0.00 2.96 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 113 Y 7.68 4.38 0.00 2.71 2.25 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 0.00 114 T 9.29 4.01 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 0.12 0.00 0.00 115 G 7.31 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 0.00 0.00 0.00 116 P 0.00 4.65 0.00 2.12 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 117 Y 8.77 4.49 0.00 3.05 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 0.00 118 T 7.13 4.49 4.04 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 1.13 0.00 0.00 119 D 8.46 4.25 0.00 2.57 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 0.00 120 E 7.51 4.09 0.00 2.26 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 0.00 2.27 1.86 0.00 *122 K 7.90 4.51 0.00 1.98 1.87 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.48 7.81 123 P 0.00 4.38 0.00 2.20 2.04 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 *125 V 7.88 4.04 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 0.59 0.00 0.00 0.55 0.00 0.00 126 D 8.64 4.51 0.00 2.87 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 0.00 127 Q 7.52 4.09 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 *130 N 7.97 4.34 0.00 2.99 2.86 0.00 0.00 7.09 6.75 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 0.00 131 K 8.74 4.04 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 132 R 7.31 5.14 0.00 1.88 1.93 0.00 3.14 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 133 V 8.71 4.54 2.24 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 0.87 0.00 0.00 1.03 0.00 0.00 134 G 9.01 4.46 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 0.00 0.00 0.00 135 V 9.16 4.76 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 0.86 0.00 0.00 0.94 0.00 0.00 136 R 8.12 3.33 0.00 0.67 0.87 0.00 2.71 0.00 0.00 2.68 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.56 0.00 137 I 8.00 4.18 1.59 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.37 0.67 0.00 0.00 138 V 8.61 4.16 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 0.88 0.00 0.00 0.76 0.00 0.00 139 A 8.46 4.81 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 0.00 140 R 8.99 4.55 0.00 1.69 1.97 0.00 3.10 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 141 R 7.95 4.74 0.00 1.87 1.76 0.00 3.14 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 142 T 8.69 5.20 4.33 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 1.24 0.00 0.00 143 R 9.01 5.08 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 144 S 9.31 5.21 0.00 3.66 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 0.00 145 W 8.25 5.33 0.00 3.33 3.20 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 0.00 146 D 9.18 4.72 0.00 2.51 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 0.00 147 H 9.76 4.40 0.00 3.18 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.09 4.02 0.00 2.12 1.98 0.00 3.17 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 149 K 7.81 4.29 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 150 L 7.84 4.25 0.00 1.83 1.75 0.91 0.73 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 0.00 151 G 7.70 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 L 7.89 4.19 0.00 1.70 1.71 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.33 0.00 2.20 2.08 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 154 H 8.72 4.99 0.00 3.10 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 S 8.15 4.21 0.00 4.04 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 0.00 157 V 8.14 3.90 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 0.74 0.00 0.00 0.95 0.00 0.00 158 G 8.01 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 0.00 159 G 8.62 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 0.00 160 S 8.51 4.17 0.00 3.99 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 0.00 161 T 7.77 4.25 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 0.00 162 A 7.84 4.18 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 * Residues marked with a * may have inaccurate shift predictions.