NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1353 8.2644 123.5842 51.8809 20.9088 177.1728 *2 N 4.5052 7.8194 113.9366 53.0252 40.5100 173.7709 3 L 3.3490 8.2342 129.8564 58.1160 42.1805 178.8573 4 K 3.7999 7.6062 117.7156 59.8308 32.1874 178.5370 5 Q 3.9999 8.2931 117.3380 59.0874 28.5494 178.8569 6 A 4.1333 8.5113 122.0294 55.0527 18.4217 179.7093 7 L 4.2780 7.7663 118.4271 58.2909 41.6371 178.9167 8 I 3.8381 8.2199 120.2731 62.8967 36.5967 178.1537 9 D 3.8721 8.4879 125.1290 57.1229 41.2676 178.0435 10 N 4.6943 7.8291 113.6036 52.1110 40.2040 173.7767 11 N 4.1222 8.6423 118.1225 55.1162 37.8178 173.7935 12 S 4.8461 8.3239 108.2196 58.3009 64.9958 174.6171 13 I 5.3176 7.7483 120.5300 60.1392 38.6837 175.5125 14 R 4.5553 8.4527 124.4883 54.6938 33.6825 173.9267 15 L 4.7710 8.7250 124.1195 53.5194 43.9455 176.6883 16 G 3.8247 8.7837 109.2521 46.6113 0.0000 173.9801 17 L 4.2749 7.9292 119.2944 54.1442 42.3820 176.1208 18 S 4.9055 8.2421 113.6807 56.5799 64.9731 173.0790 19 A 4.6415 8.2658 127.8625 51.4462 22.0038 175.2887 20 D 4.6007 9.1804 121.8553 56.4471 41.9349 178.1482 21 T 4.2695 7.5586 109.0784 60.3500 71.6364 175.3976 22 W 3.9115 7.8049 118.8359 59.2478 28.0622 178.5771 23 Q 3.5074 6.6529 118.5840 58.5259 28.0907 177.6585 24 E 3.8192 8.0358 120.2380 59.4534 28.7979 178.6427 25 A 4.0109 7.6220 119.9305 55.3169 18.4598 179.5495 26 V 3.9494 8.0833 116.5319 66.2974 31.5772 177.8409 27 R 3.5906 8.3971 118.5180 59.6635 29.6133 178.4049 28 L 3.9366 8.3432 117.0788 57.7337 41.7007 178.9113 29 A 4.1692 9.2897 119.9437 55.2046 18.4897 179.3105 30 V 3.9204 8.1290 116.2228 65.1101 31.7873 177.6979 31 Q 3.9168 8.1749 119.8830 59.1288 28.9207 177.3069 32 P 4.3247 0.0000 0.0000 65.1824 31.2453 178.0562 33 L 4.4831 8.0181 118.7785 55.9050 41.7779 179.1449 34 I 4.0965 7.4840 121.2368 63.9595 36.9298 177.8660 35 D 4.4496 8.0743 118.9928 56.7743 40.4792 178.0659 36 S 4.3802 8.1398 112.9267 57.9708 62.9801 174.4152 37 K 3.9771 7.8853 119.7110 57.5854 32.4285 175.2107 38 A 4.1470 7.4838 122.3810 55.5763 19.2366 178.4100 39 V 4.9485 8.2920 106.6738 60.3088 37.0403 174.7819 40 T 4.7599 8.4540 117.9691 61.5710 71.5319 176.2031 41 S 4.3793 8.8756 116.8263 61.0903 62.6316 176.4042 42 A 4.2423 8.0018 126.1081 54.8732 18.2174 178.4655 43 Y 4.1881 7.9772 117.6217 61.1504 38.7972 177.5494 44 Y 4.2657 8.3758 119.8022 61.0780 38.7771 177.9325 45 D 3.8868 8.0302 119.0162 57.1878 40.9027 178.2247 46 A 4.1494 8.4049 121.5785 55.6180 18.3581 179.7493 47 I 3.5965 7.8053 118.1261 64.5243 36.6686 178.7642 48 I 3.8198 7.9047 120.7555 64.2840 36.8229 178.2034 49 A 4.0506 8.7382 122.6731 55.5928 18.2808 179.9986 50 S 4.2938 8.5443 113.4584 61.6887 62.8796 177.1010 51 T 4.1747 8.1008 118.9641 66.4821 67.9384 176.7311 52 E 4.0064 7.8415 118.5278 59.1870 29.9723 177.8992 53 K 3.7968 8.1832 119.1823 59.3841 32.0925 176.8215 54 Y 4.4194 8.3215 113.8772 57.6432 39.3037 175.6973 55 G 3.7654 8.4182 104.8909 43.6477 0.0000 172.4781 56 P 3.7231 0.0000 0.0000 62.0739 29.2627 177.1226 57 Y 4.0234 6.6759 117.4691 59.7640 38.8198 176.8966 58 Y 4.5326 5.7032 116.5435 56.5934 38.3333 176.6869 59 V 3.8722 6.6044 122.8900 61.5390 29.7327 175.3892 60 L 4.5000 7.5912 125.7629 54.0846 41.2992 175.3908 *62 P 3.9812 0.0000 0.0000 65.0014 32.3548 176.2516 63 G 3.7561 8.5735 110.2130 45.0113 0.0000 172.4983 *65 A 4.4127 7.6107 121.1309 50.8479 20.8394 173.8854 *67 P 2.9700 0.0000 0.0000 62.4884 33.0041 175.8161 68 H 4.9323 7.7237 117.6884 55.4485 31.6470 171.6175 69 A 4.5009 8.7811 120.2205 52.3259 21.9304 177.0600 70 E 3.7709 7.8905 115.9716 56.4174 26.0300 175.4480 71 A 4.6514 8.2096 126.6457 50.9285 16.1916 176.5123 72 G 3.8085 8.3714 106.1886 45.1287 0.0000 172.6776 73 L 4.3399 8.3019 124.7514 51.7759 40.5593 175.8793 74 G 4.1867 8.4584 110.1755 44.8647 0.0000 171.6667 75 V 3.9894 7.5145 119.2502 62.6197 32.1161 175.1943 76 N 4.9875 8.3684 119.1083 52.2596 39.1011 173.8667 77 R 4.6321 7.3398 117.5614 55.1015 33.4830 173.7082 78 N 4.8423 8.6259 121.3785 53.0995 39.2465 174.3491 79 A 4.6089 8.9855 124.4731 50.8491 23.3639 174.6683 80 F 5.5006 8.7304 116.8865 55.7131 42.5835 174.5881 81 A 5.0690 9.3209 123.5335 50.2230 23.1582 174.7303 82 L 5.3565 8.9959 120.9778 53.5622 45.7285 175.2171 83 I 5.1834 9.3868 119.3086 59.4335 41.4695 174.2810 84 T 5.0944 8.7121 119.4083 61.9734 71.6547 173.4630 85 L 5.0546 8.7281 125.4075 53.3055 44.2824 175.8642 86 T 4.6539 9.0792 114.5045 59.9253 67.9118 173.9776 87 K 4.9599 7.9687 128.4829 55.1557 33.4926 172.4271 88 P 4.7262 0.0000 0.0000 63.1726 32.1783 175.0916 89 V 4.5935 8.8367 119.3670 61.3936 35.3714 174.0911 90 T 5.1611 8.3507 120.1363 61.8371 70.5566 174.3870 91 F 4.2559 9.2455 125.9385 56.1990 40.5842 177.1299 92 S 4.2396 8.4641 113.3676 59.8889 62.4423 174.3820 93 D 4.7221 8.1906 118.4242 53.1779 39.9030 176.5809 94 G 3.9225 8.9151 108.4833 45.4501 0.0000 173.0939 95 K 4.4898 7.9271 119.7822 54.9506 33.4203 175.8535 96 E 4.9459 8.7568 124.5149 55.9601 31.3118 175.5938 97 V 4.7463 9.1633 123.8899 61.5680 34.1290 175.7670 98 S 4.6833 9.0580 123.0592 58.5486 65.1989 173.9689 99 V 4.9410 7.8899 118.9621 60.8965 34.2586 174.5985 100 L 4.9692 9.1256 127.1744 53.1213 44.9150 175.2578 101 L 5.5838 9.0781 127.5202 52.4629 42.7977 175.2277 102 T 4.5185 8.3685 122.3161 62.7022 69.7241 172.8832 103 L 4.9972 8.6381 127.7360 53.2270 44.6465 175.3466 104 A 4.5824 8.8019 126.8480 50.2614 22.7167 174.7449 105 A 4.7479 8.4006 123.8053 49.8727 22.5391 176.8100 106 T 4.0345 8.6055 110.2473 61.5231 68.6924 173.6423 107 D 4.2923 7.6421 117.4815 53.5770 44.4583 174.9949 108 P 3.9959 0.0000 0.0000 64.7015 32.3324 178.3272 109 S 4.1198 8.3323 114.8267 61.7580 62.4147 176.4598 110 I 3.7807 7.4989 124.1778 63.6854 36.6907 177.6993 111 H 4.1352 7.6242 116.5582 59.5398 28.4135 177.2512 112 T 3.7564 7.8468 112.2142 64.3349 67.2262 175.9009 113 T 4.2564 7.6033 110.7250 63.2210 69.1459 175.2753 114 V 4.1657 7.9069 116.9863 64.6097 33.6082 176.8557 115 A 4.4635 8.0574 119.7412 55.3748 18.2268 179.1097 116 I 3.7230 8.9628 117.2221 64.1363 37.4408 177.0569 117 P 4.3302 0.0000 0.0000 65.7301 31.0412 178.6784 118 Q 3.9798 8.0222 116.7420 58.7382 28.5256 179.0445 119 I 3.7708 7.6410 120.5309 64.3113 37.3590 178.3104 120 V 3.6812 8.2763 119.2854 66.0029 31.1443 177.5009 121 A 3.9715 8.0601 119.6691 55.3609 18.4720 179.2089 122 L 3.8774 7.4869 118.3843 58.3725 42.0996 178.9232 123 F 4.4016 7.9392 114.6244 59.0410 39.0163 176.8103 124 E 4.2088 8.2831 117.9926 57.0414 29.8167 176.9465 125 L 3.9942 6.9398 118.2403 54.7263 42.3765 176.6125 126 D 4.3162 8.5337 121.0603 55.6243 42.1012 175.6446 127 N 4.1223 8.9506 123.9591 54.3623 37.8369 175.5773 128 A 3.9770 7.9793 120.6295 55.2233 18.7728 179.1450 129 I 3.7753 7.7681 116.6704 64.4009 38.1321 177.8090 130 E 4.0579 8.1384 118.8949 59.1285 29.2668 179.0296 131 R 3.9151 7.6319 117.1859 59.1960 30.3055 178.8049 132 L 4.0774 7.9645 118.5681 57.8031 41.4671 179.2511 133 V 3.5678 7.8372 116.7632 66.4113 31.5351 177.7653 134 A 4.1238 8.1155 118.1374 53.1176 18.6240 177.5513 135 C 4.2486 7.2278 115.1300 60.4454 28.6537 173.8271 136 Q 4.5954 9.3695 121.3630 55.7712 30.1642 176.3411 137 S 4.7564 7.5258 111.8582 54.8236 67.5708 172.6802 138 P 4.2745 0.0000 0.0000 66.0278 31.0568 178.7798 139 K 3.8624 8.1408 116.4183 59.6492 31.7023 178.5983 140 E 3.9206 7.7423 117.0276 59.5739 29.5167 179.4435 141 V 3.6746 7.1122 114.9911 66.2035 31.9850 177.6338 142 L 4.1106 8.2780 118.9547 57.6651 41.3531 178.0753 143 E 4.0536 8.2070 117.9531 56.8651 29.7292 178.9447 *145 V 3.8812 7.7604 120.4931 62.9513 33.4156 177.0380 146 E 3.8992 8.0397 120.3284 59.1070 29.6626 178.3050 147 E 3.9280 8.4264 119.1972 59.0737 29.6994 177.9786 148 S 4.1690 7.5120 111.6576 59.7151 63.1812 174.6339 149 K 4.2888 7.7144 121.1196 55.6919 31.3402 176.3654 150 D 4.2861 8.3089 125.0316 55.5043 41.5567 177.0378 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 0 A 8.26 4.14 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 *2 N 7.82 4.51 0.00 2.83 2.79 0.00 0.00 6.85 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.23 3.35 0.00 1.22 1.41 0.05 0.09 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 4 K 7.61 3.80 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.60 7.81 5 Q 8.29 4.00 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 6 A 8.51 4.13 1.62 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 0.00 0.00 7 L 7.77 4.28 0.00 2.07 1.74 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.22 3.84 2.04 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 1.52 1.07 0.92 0.00 0.00 9 D 8.49 3.87 0.00 2.67 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 10 N 7.83 4.69 0.00 2.79 2.84 0.00 0.00 7.14 9.16 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 11 N 8.64 4.12 0.00 2.68 2.79 0.00 0.00 6.96 7.51 0.00 0.00 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 S 8.32 4.85 0.00 3.96 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 0.00 13 I 7.75 5.32 1.88 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 1.37 0.24 0.92 0.00 0.00 14 R 8.45 4.56 0.00 1.69 1.80 0.00 3.27 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 15 L 8.73 4.77 0.00 1.52 1.58 0.93 1.00 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 16 G 8.78 3.82 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 0.00 0.00 0.00 17 L 7.93 4.27 0.00 1.88 1.62 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.24 4.91 0.00 3.78 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 19 A 8.27 4.64 1.21 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 20 D 9.18 4.60 0.00 2.77 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 21 T 7.56 4.27 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 1.06 0.00 0.00 22 W 7.80 3.91 0.00 1.78 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 23 Q 6.65 3.51 0.00 1.62 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 24 E 8.04 3.82 0.00 1.91 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 0.00 2.28 2.30 0.00 25 A 7.62 4.01 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.08 3.95 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 1.24 0.00 0.00 1.55 0.00 0.00 27 R 8.40 3.59 0.00 1.93 2.07 0.00 3.01 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.00 28 L 8.34 3.94 0.00 1.78 1.73 0.94 0.89 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 29 A 9.29 4.17 1.47 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 0.00 0.00 30 V 8.13 3.92 2.20 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 1.29 0.00 0.00 1.21 0.00 0.00 31 Q 8.17 3.92 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 32 P 0.00 4.32 0.00 2.23 2.11 0.00 3.72 0.00 0.00 3.92 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 33 L 8.02 4.48 0.00 1.96 1.71 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.48 4.10 2.02 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 1.71 1.61 0.92 0.00 0.00 35 D 8.07 4.45 0.00 2.67 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 36 S 8.14 4.38 0.00 4.14 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 0.00 37 K 7.89 3.98 0.00 1.98 2.02 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.36 7.81 38 A 7.48 4.15 1.31 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 39 V 8.29 4.95 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 0.34 0.00 0.00 1.01 0.00 0.00 40 T 8.45 4.76 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 1.25 0.00 0.00 41 S 8.88 4.38 0.00 4.16 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 0.00 42 A 8.00 4.24 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 43 Y 7.98 4.19 0.00 3.11 3.19 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 44 Y 8.38 4.27 0.00 3.16 3.30 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 45 D 8.03 3.89 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.40 4.15 1.31 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 47 I 7.81 3.60 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.86 0.00 0.00 48 I 7.90 3.82 1.64 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.89 0.00 0.00 49 A 8.74 4.05 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 50 S 8.54 4.29 0.00 4.20 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 0.00 51 T 8.10 4.17 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 0.67 0.00 0.00 52 E 7.84 4.01 0.00 2.08 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 2.50 2.53 0.00 53 K 8.18 3.80 0.00 1.51 1.89 0.00 1.04 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.79 0.21 7.81 54 Y 8.32 4.42 0.00 3.19 2.87 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 55 G 8.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 3.72 0.00 1.64 1.77 0.00 3.55 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 1.90 1.89 0.00 57 Y 6.68 4.02 0.00 2.93 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 58 Y 5.70 4.53 0.00 2.92 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 59 V 6.60 3.87 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 0.57 0.00 0.00 -0.09 0.00 0.00 60 L 7.59 4.50 0.00 1.73 1.67 0.96 0.68 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 *62 P 0.00 3.98 0.00 2.21 2.12 0.00 3.72 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 1.88 1.96 0.00 63 G 8.57 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 0.00 0.00 0.00 *65 A 7.61 4.41 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 *67 P 0.00 2.97 0.00 1.90 1.48 0.00 3.63 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 1.98 1.90 0.00 68 H 7.72 4.93 0.00 3.19 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.78 4.50 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 70 E 7.89 3.77 0.00 2.15 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 2.45 2.42 0.00 71 A 8.21 4.65 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 72 G 8.37 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 0.00 0.00 0.00 73 L 8.30 4.34 0.00 1.61 1.69 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.46 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 75 V 7.51 3.99 2.00 0.00 0.00 0.00 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 0.40 0.00 0.00 76 N 8.37 4.99 0.00 2.77 2.80 0.00 0.00 6.64 7.87 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 77 R 7.34 4.63 0.00 1.74 1.71 0.00 3.21 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 78 N 8.63 4.84 0.00 2.59 2.63 0.00 0.00 6.69 7.35 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 79 A 8.99 4.61 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 80 F 8.73 5.50 0.00 2.91 2.87 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 81 A 9.32 5.07 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 82 L 9.00 5.36 0.00 1.79 1.51 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.39 5.18 1.92 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 1.30 0.69 0.96 0.00 0.00 84 T 8.71 5.09 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 1.27 0.00 0.00 85 L 8.73 5.05 0.00 1.56 1.61 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.08 4.65 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 1.26 0.00 0.00 87 K 7.97 4.96 0.00 2.03 1.90 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.16 7.81 88 P 0.00 4.73 0.00 2.33 2.17 0.00 3.73 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 2.01 0.00 89 V 8.84 4.59 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 1.09 0.00 0.00 0.97 0.00 0.00 90 T 8.35 5.16 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 1.27 0.00 0.00 91 F 9.25 4.26 0.00 2.81 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 92 S 8.46 4.24 0.00 4.00 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 93 D 8.19 4.72 0.00 2.73 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 94 G 8.92 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 95 K 7.93 4.49 0.00 1.76 1.70 0.00 1.56 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.57 7.81 96 E 8.76 4.95 0.00 1.93 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 2.42 2.28 0.00 97 V 9.16 4.75 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 1.22 0.00 0.00 0.99 0.00 0.00 98 S 9.06 4.68 0.00 3.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.89 4.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.09 0.00 0.00 100 L 9.13 4.97 0.00 1.73 1.61 1.05 0.39 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 0.00 101 L 9.08 5.58 0.00 1.84 1.77 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.37 4.52 4.34 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 1.45 0.00 0.00 103 L 8.64 5.00 0.00 1.70 1.54 0.82 0.90 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 0.00 104 A 8.80 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.40 4.75 1.22 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 0.00 0.00 106 T 8.61 4.03 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 1.16 0.00 0.00 107 D 7.64 4.29 0.00 2.73 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 0.00 108 P 0.00 4.00 0.00 2.28 2.24 0.00 3.47 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 2.05 2.06 0.00 109 S 8.33 4.12 0.00 4.05 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 0.00 110 I 7.50 3.78 1.96 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 1.52 1.27 0.91 0.00 0.00 111 H 7.62 4.14 0.00 3.19 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.85 3.76 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 1.29 0.00 0.00 113 T 7.60 4.26 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 114 V 7.91 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 0.95 0.00 0.00 0.95 0.00 0.00 115 A 8.06 4.46 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.96 3.72 1.95 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 1.56 0.88 0.95 0.00 0.00 117 P 0.00 4.33 0.00 2.18 2.12 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 118 Q 8.02 3.98 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.81 0.00 119 I 7.64 3.77 2.18 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 1.55 1.11 1.17 0.00 0.00 120 V 8.28 3.68 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 1.09 0.00 0.00 1.02 0.00 0.00 121 A 8.06 3.97 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 0.00 122 L 7.49 3.88 0.00 1.51 1.57 0.68 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.94 4.40 0.00 3.11 3.10 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 0.00 124 E 8.28 4.21 0.00 2.22 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 2.37 2.47 0.00 125 L 6.94 3.99 0.00 1.69 1.60 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.53 4.32 0.00 2.63 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 0.00 127 N 8.95 4.12 0.00 2.91 2.77 0.00 0.00 7.10 8.24 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 0.00 128 A 7.98 3.98 1.44 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 0.00 0.00 129 I 7.77 3.78 2.04 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 1.70 1.68 1.00 0.00 0.00 130 E 8.14 4.06 0.00 2.27 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 2.42 2.48 0.00 131 R 7.63 3.92 0.00 1.87 1.99 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 132 L 7.96 4.08 0.00 1.98 1.74 0.81 0.36 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 0.00 133 V 7.84 3.57 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 0.83 0.00 0.00 1.01 0.00 0.00 134 A 8.12 4.12 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 0.00 135 C 7.23 4.25 0.00 3.17 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 0.00 136 Q 9.37 4.60 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 137 S 7.53 4.76 0.00 3.97 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 0.00 138 P 0.00 4.27 0.00 2.17 2.16 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 139 K 8.14 3.86 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.49 7.81 140 E 7.74 3.92 0.00 2.07 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 2.34 2.39 0.00 141 V 7.11 3.67 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 0.78 0.00 0.00 0.97 0.00 0.00 142 L 8.28 4.11 0.00 1.88 1.70 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.21 4.05 0.00 2.11 1.92 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 2.30 2.51 0.00 *145 V 7.76 3.88 2.18 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 0.86 0.00 0.00 0.87 0.00 0.00 146 E 8.04 3.90 0.00 2.21 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 0.00 2.28 2.27 0.00 147 E 8.43 3.93 0.00 1.89 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 2.29 2.23 0.00 148 S 7.51 4.17 0.00 4.07 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 0.00 149 K 7.71 4.29 0.00 1.84 1.86 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.62 7.81 150 D 8.31 4.29 0.00 3.02 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.