NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6430 8.3649 119.5561 53.2998 41.6335 175.7361 9 S 4.4060 8.2392 115.6450 57.3604 63.4915 172.6387 10 I 4.4377 8.3877 116.1339 58.9921 39.8137 174.6896 11 I 4.6059 8.2664 125.1244 59.3397 40.0422 174.7732 12 R 4.7019 8.3893 120.9224 54.3463 32.1841 175.8645 13 F 5.0103 7.9400 115.8509 54.8952 40.9764 174.3426 14 S 4.3985 8.6452 117.1159 57.5810 63.2468 173.3849 15 V 4.4388 8.0361 124.6620 61.0656 33.9179 174.7401 16 S 4.7382 8.7321 122.8284 56.7852 64.1378 173.3914 17 L 4.8173 8.2040 125.3008 52.0421 44.5172 177.1132 18 Q 4.1321 8.5131 121.2140 56.4765 30.3252 177.5676 19 Q 3.9987 8.7270 122.8562 59.4172 29.1627 178.5738 20 N 4.3279 8.0869 117.7726 55.8006 37.3553 176.9353 21 L 3.9727 7.8199 122.2454 57.7327 42.2701 178.4964 22 L 3.9340 7.9657 120.4388 58.2081 42.0505 178.6803 23 D 4.3420 8.4074 119.2190 57.3208 40.7505 178.4028 24 E 3.9574 8.1247 119.4611 58.8535 29.5335 178.4689 25 L 3.9087 8.1654 120.7799 58.3691 42.2476 178.7279 26 D 4.3442 8.2339 118.7337 57.5577 40.6896 178.6252 27 N 4.3761 8.1524 116.8999 56.2796 38.5246 177.5070 28 R 3.9656 8.1832 120.2140 59.1998 30.1664 178.5311 29 I 3.8173 8.0099 119.9869 64.4707 36.7928 178.5108 30 I 3.7535 7.7148 120.2182 64.4752 36.8024 178.6655 31 K 4.0215 8.3023 118.2767 58.8304 31.9374 178.1458 32 N 4.9244 8.1800 113.6038 52.2477 38.9755 175.2910 33 G 3.7922 7.7322 107.9405 46.5508 0.0000 173.9659 34 Y 4.1723 8.0077 116.8330 57.3625 38.5147 175.8783 35 S 4.7072 9.0988 115.3839 58.3218 64.4805 174.5027 36 S 4.5969 7.4605 114.6256 56.5761 66.1792 176.0823 37 R 3.8570 8.3239 121.9716 59.4497 29.8632 179.1267 38 S 3.9736 8.0123 112.3979 61.3704 62.3836 175.7345 39 E 3.9518 8.2690 121.8291 59.1465 29.3484 178.5525 40 L 3.3758 7.7140 120.0636 57.9967 42.0612 179.0258 41 V 3.4918 7.8602 118.4099 65.8728 31.4199 177.7224 42 R 3.9194 8.0272 118.3922 59.8473 29.9362 178.2743 43 D 4.4157 8.2166 118.4262 57.4440 40.6759 178.6971 44 M 4.0410 8.2781 119.5511 58.3649 32.1095 178.7193 45 I 3.6861 7.9716 119.9949 64.5513 36.3432 178.3551 46 R 3.9427 8.0457 118.7998 59.5906 29.7976 178.7381 47 E 4.1912 8.4266 121.0945 59.9008 29.4782 179.6595 48 K 4.0595 8.2431 122.8457 59.7159 31.7583 180.2631 49 L 4.2021 7.7276 117.6720 57.6500 41.5499 179.1892 50 V 3.9196 7.3756 121.6259 66.1999 32.6695 178.3679 51 E 4.1332 7.5742 119.9510 55.7603 27.7572 178.3712 *57 D 4.6071 8.0808 122.0979 52.1420 41.9815 175.2017 58 N 4.5324 8.1273 118.1110 53.0998 39.0044 173.5484 59 P 4.0833 0.0000 0.0000 62.7505 31.9599 174.9295 60 N 5.0615 8.1565 116.8704 51.8080 40.4462 174.4325 61 D 4.8151 8.6251 116.0375 55.1573 41.5227 176.7914 62 E 4.1836 8.6355 121.5746 55.9624 30.4886 176.4505 63 S 4.6625 8.7195 119.6814 58.6287 63.2613 173.2252 64 K 4.7626 9.1234 125.1462 54.7303 36.9921 174.9705 65 I 4.8200 8.2430 121.6625 60.2641 39.9736 174.1977 66 A 5.1800 9.0192 128.7285 50.5499 23.5012 174.9074 67 V 4.8061 8.8414 119.0354 60.9904 34.8526 173.9854 68 L 5.0935 9.0531 130.2698 53.4035 44.4011 174.8110 69 V 4.8501 8.8972 126.9205 61.3203 33.7100 174.3999 70 V 4.9520 8.9596 127.9268 61.1608 34.7523 173.9198 71 I 4.8894 7.6824 128.3006 59.6373 39.4881 174.2917 72 Y 5.1680 8.2194 123.6144 55.1806 42.4155 173.7762 73 D 4.8354 9.2949 121.6342 54.1837 41.8407 176.1711 74 H 4.8489 8.5618 121.5600 56.5545 28.7740 175.5980 75 H 4.6493 8.6638 117.0306 56.1157 29.1961 174.9329 76 Q 4.1803 7.9668 122.2121 55.1435 28.5681 175.3584 77 R 4.0284 8.4173 125.3185 57.5371 30.8118 177.2159 78 E 3.8387 9.0333 119.4773 56.9907 27.8487 176.0526 79 L 3.9159 7.7086 121.8021 58.2581 42.0245 178.5253 80 N 4.1232 8.0392 115.9050 56.2868 38.4774 176.8946 81 Q 3.9248 7.9985 120.3591 59.3336 29.1621 178.4723 82 R 3.9464 8.0831 119.0042 59.5243 29.9878 178.9863 83 M 4.0289 8.1498 118.5484 58.3343 31.8113 178.9149 84 I 3.7269 7.9490 120.0978 64.4770 37.3355 178.1109 85 D 4.3784 8.5058 120.1535 57.4796 40.6213 179.1150 86 I 3.7170 7.9502 120.2023 64.4713 36.9238 178.4457 87 Q 3.9838 8.1024 117.9220 59.4795 28.6293 178.5184 88 H 4.2875 8.4109 116.0055 58.2450 28.8529 177.0346 89 A 4.3152 7.8265 121.0412 52.4174 19.0180 177.8410 90 S 4.3459 7.2238 112.1302 57.9052 63.8596 174.6357 91 G 3.8698 8.5060 109.7993 46.2496 0.0000 174.0669 92 T 4.2134 7.5624 110.2686 61.4230 69.7736 173.6427 93 H 4.8108 9.0961 122.9035 54.4131 31.5500 173.2588 94 V 3.9612 8.2335 126.9140 62.7466 31.4494 175.7341 95 L 4.2240 9.0167 129.5853 57.5151 42.2240 176.9236 96 C 4.8646 7.4525 110.4906 57.6964 32.3437 172.7807 97 T 5.2204 8.5434 109.5034 60.3437 71.5715 173.2329 98 T 4.7978 8.7995 119.0555 61.8891 72.5622 172.7882 99 A 5.3798 8.7321 126.8759 50.1247 22.2896 175.0406 100 I 4.7202 8.7673 114.0877 58.7439 41.5329 174.6560 101 A 4.4427 8.3962 126.2032 51.7276 19.1060 177.6073 102 M 4.2476 8.8521 123.5404 57.5171 32.8107 175.8014 103 D 4.4680 7.3121 117.7755 53.7568 41.5284 175.8521 104 E 4.0029 8.8306 113.8252 58.5714 30.3364 172.6237 105 H 4.8035 8.1654 113.4574 57.2776 31.5484 174.2387 106 N 5.2756 9.1868 115.0912 51.4774 41.5940 174.4102 107 S 4.9692 8.2692 117.1166 56.4806 67.3406 172.5902 108 L 4.8186 8.7296 123.9752 53.2460 44.6587 174.6974 109 E 5.3369 9.5928 127.1807 54.5507 33.0725 174.2530 110 T 5.0783 8.9586 116.6228 59.9774 71.7084 172.9346 111 I 4.8655 8.9353 126.4750 59.6283 40.1019 174.3531 112 I 4.9585 8.5315 128.7825 59.6550 39.0858 175.0153 113 L 5.1510 8.8009 126.1958 54.5881 44.6753 174.3915 114 Q 4.9466 8.8977 117.1625 54.5957 32.1536 174.6929 115 G 4.2450 8.3600 107.6722 46.3826 0.0000 172.1354 116 N 5.7518 8.8455 118.1438 50.8682 39.1096 176.3387 117 S 3.9902 8.2171 113.9541 61.8130 62.6475 177.2705 118 F 4.2114 7.8078 119.7947 60.5811 38.8083 177.5042 119 E 4.0523 9.0755 118.6884 59.5022 29.2890 179.5520 120 I 3.7523 7.8041 119.9340 64.2821 37.1901 178.1915 121 Q 3.9646 8.0856 120.5242 59.2395 28.7771 178.4482 122 R 3.9281 8.0095 119.6216 59.1629 30.0880 178.2221 123 L 3.9195 7.9061 120.1776 58.1349 42.0369 178.6086 124 Q 3.9750 8.0857 119.4389 59.3773 28.9023 178.4926 125 L 4.0144 7.9947 119.8499 57.6663 41.4193 179.3127 126 E 3.9463 8.2220 117.7611 59.5126 29.7599 179.1478 127 I 3.9386 7.9609 119.8697 64.4905 37.0150 178.7934 128 G 3.8924 8.3143 105.4224 47.4033 0.0000 174.9651 129 G 3.8712 7.6597 105.0130 44.3746 0.0000 173.9540 130 L 4.2122 7.5010 122.5925 53.8007 42.4169 176.5379 131 R 4.1362 8.4229 123.3742 57.9771 30.5410 176.3700 132 G 4.0269 9.1330 113.4768 45.2547 0.0000 172.9594 133 V 4.2575 7.4179 119.9189 62.2653 32.0022 175.7578 134 K 4.4141 9.0506 127.8683 58.8879 33.0331 176.7549 135 F 4.8625 7.3898 111.9162 56.3838 40.9024 173.4421 136 A 4.8797 8.9569 120.8518 50.8802 21.2108 175.3839 137 K 4.5897 9.6329 122.0899 55.2329 35.0602 175.3680 138 L 5.0467 8.5355 126.5381 53.8525 43.9444 175.3532 139 T 4.5812 9.0894 122.8976 61.6787 71.1257 172.7696 140 K 4.6340 8.7528 127.8085 54.3225 33.7956 176.4928 141 A 4.7112 8.4240 132.8524 51.1530 17.5203 177.2285 142 S 4.2824 7.8282 118.8096 57.5652 62.5324 175.6726 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 8 D 8.36 4.64 0.00 2.71 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 9 S 8.24 4.41 0.00 3.94 3.94 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 0.00 0.00 0.00 10 I 8.39 4.44 1.89 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 1.42 0.52 0.92 0.00 0.00 11 I 8.27 4.61 1.98 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 0.67 0.96 0.00 0.00 12 R 8.39 4.70 0.00 1.78 1.79 0.00 3.13 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 13 F 7.94 5.01 0.00 3.06 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 14 S 8.65 4.40 0.00 3.86 3.84 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 15 V 8.04 4.44 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 0.93 0.00 0.00 0.98 0.00 0.00 16 S 8.73 4.74 0.00 3.90 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 17 L 8.20 4.82 0.00 1.58 1.54 0.91 1.00 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 Q 8.51 4.13 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 2.41 1.99 0.00 19 Q 8.73 4.00 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 20 N 8.09 4.33 0.00 2.97 3.07 0.00 0.00 5.92 6.67 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 21 L 7.82 3.97 0.00 1.79 1.81 0.92 0.55 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 22 L 7.97 3.93 0.00 1.77 1.77 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.41 4.34 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.12 3.96 0.00 2.10 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 2.30 2.35 0.00 25 L 8.17 3.91 0.00 1.85 1.81 0.84 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.23 4.34 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.15 4.38 0.00 3.04 2.87 0.00 0.00 6.68 7.67 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 28 R 8.18 3.97 0.00 2.01 2.04 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 29 I 8.01 3.82 2.06 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 1.49 0.82 1.01 0.00 0.00 30 I 7.71 3.75 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 1.54 0.95 0.93 0.00 0.00 31 K 8.30 4.02 0.00 1.73 1.91 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.77 7.81 32 N 8.18 4.92 0.00 3.12 3.08 0.00 0.00 7.08 6.99 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 33 G 7.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.01 4.17 0.00 3.01 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 35 S 9.10 4.71 0.00 3.91 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 36 S 7.46 4.60 0.00 4.01 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 37 R 8.32 3.86 0.00 1.83 1.97 0.00 3.11 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 38 S 8.01 3.97 0.00 3.82 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 39 E 8.27 3.95 0.00 2.15 2.19 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 2.57 2.42 0.00 40 L 7.71 3.38 0.00 1.36 1.42 -0.03 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.86 3.49 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 1.03 0.00 0.00 0.90 0.00 0.00 42 R 8.03 3.92 0.00 2.03 2.17 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 43 D 8.22 4.42 0.00 2.90 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 44 M 8.28 4.04 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 45 I 7.97 3.69 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.93 0.00 0.00 46 R 8.05 3.94 0.00 2.11 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 47 E 8.43 4.19 0.00 2.06 2.19 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 2.31 2.33 0.00 48 K 8.24 4.06 0.00 1.88 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.35 7.81 49 L 7.73 4.20 0.00 1.79 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.38 3.92 2.22 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 0.78 0.00 0.00 0.93 0.00 0.00 51 E 7.57 4.13 0.00 2.01 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 2.26 2.12 0.00 *57 D 8.08 4.61 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.53 0.00 2.68 2.78 0.00 0.00 7.12 8.02 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 59 P 0.00 4.08 0.00 0.65 1.55 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 60 N 8.16 5.06 0.00 2.94 2.91 0.00 0.00 6.99 7.97 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 61 D 8.63 4.82 0.00 2.76 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 62 E 8.64 4.18 0.00 1.94 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 0.00 2.46 2.40 0.00 63 S 8.72 4.66 0.00 3.89 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 64 K 9.12 4.76 0.00 1.66 1.60 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.43 7.81 65 I 8.24 4.82 1.87 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 1.27 1.27 0.95 0.00 0.00 66 A 9.02 5.18 1.18 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 0.00 0.00 67 V 8.84 4.81 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 0.86 0.00 0.00 0.94 0.00 0.00 68 L 9.05 5.09 0.00 1.78 1.51 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.90 4.85 2.26 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 1.06 0.00 0.00 1.00 0.00 0.00 70 V 8.96 4.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 71 I 7.68 4.89 0.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.22 0.71 0.00 0.00 72 Y 8.22 5.17 0.00 3.10 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 73 D 9.29 4.84 0.00 2.71 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 74 H 8.56 4.85 0.00 3.28 3.23 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.66 4.65 0.00 3.28 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.97 4.18 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.99 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 77 R 8.42 4.03 0.00 1.86 1.87 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 78 E 9.03 3.84 0.00 2.17 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 2.29 2.22 0.00 79 L 7.71 3.92 0.00 1.70 1.73 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.04 4.12 0.00 2.73 2.80 0.00 0.00 6.73 7.99 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 81 Q 8.00 3.92 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 82 R 8.08 3.95 0.00 2.01 1.94 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 83 M 8.15 4.03 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 84 I 7.95 3.73 2.01 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 0.78 0.96 0.00 0.00 85 D 8.51 4.38 0.00 2.81 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 86 I 7.95 3.72 2.00 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 1.52 0.62 0.95 0.00 0.00 87 Q 8.10 3.98 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 88 H 8.41 4.29 0.00 3.21 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.83 4.32 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.22 4.35 0.00 4.02 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 91 G 8.51 3.87 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 0.00 92 T 7.56 4.21 4.36 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 0.00 0.00 0.00 1.23 0.00 0.00 93 H 9.10 4.81 0.00 3.15 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.23 3.96 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 0.85 0.00 0.00 0.89 0.00 0.00 95 L 9.02 4.22 0.00 1.58 1.66 0.90 0.70 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 96 C 7.45 4.86 0.00 2.93 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 97 T 8.54 5.22 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 1.23 0.00 0.00 98 T 8.80 4.80 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 1.22 0.00 0.00 99 A 8.73 5.38 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 0.00 100 I 8.77 4.72 1.85 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 1.15 1.28 0.91 0.00 0.00 101 A 8.40 4.44 1.18 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 0.00 0.00 102 M 8.85 4.25 0.00 1.94 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 103 D 7.31 4.47 0.00 2.82 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 0.00 104 E 8.83 4.00 0.00 2.01 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 2.23 1.90 0.00 105 H 8.17 4.80 0.00 2.97 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 9.19 5.28 0.00 2.47 2.51 0.00 0.00 6.81 8.18 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 0.00 107 S 8.27 4.97 0.00 2.72 3.46 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 L 8.73 4.82 0.00 1.58 1.44 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.59 5.34 0.00 2.25 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 2.22 2.42 0.00 110 T 8.96 5.08 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 0.00 111 I 8.94 4.87 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 1.31 0.75 0.90 0.00 0.00 112 I 8.53 4.96 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 1.29 0.64 0.90 0.00 0.00 113 L 8.80 5.15 0.00 1.65 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.90 4.95 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 115 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 0.00 116 N 8.85 5.75 0.00 3.14 3.13 0.00 0.00 6.92 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 0.00 117 S 8.22 3.99 0.00 3.20 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 0.00 118 F 7.81 4.21 0.00 3.29 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 0.00 119 E 9.08 4.05 0.00 2.16 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 0.00 2.38 2.56 0.00 120 I 7.80 3.75 1.85 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 1.41 0.89 0.90 0.00 0.00 121 Q 8.09 3.96 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 122 R 8.01 3.93 0.00 2.15 2.12 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 123 L 7.91 3.92 0.00 1.83 1.83 0.92 0.75 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 0.00 124 Q 8.09 3.97 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 125 L 7.99 4.01 0.00 1.77 1.71 0.94 0.87 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 0.00 126 E 8.22 3.95 0.00 1.98 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 2.36 2.47 0.00 127 I 7.96 3.94 1.88 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 1.64 0.80 0.90 0.00 0.00 128 G 8.31 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 0.00 0.00 0.00 129 G 7.66 3.87 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 0.00 130 L 7.50 4.21 0.00 1.74 1.58 0.88 0.81 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 0.00 131 R 8.42 4.14 0.00 1.77 1.86 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 132 G 9.13 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 0.00 0.00 0.00 133 V 7.42 4.26 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 0.88 0.00 0.00 0.95 0.00 0.00 134 K 9.05 4.41 0.00 1.50 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.44 7.81 135 F 7.39 4.86 0.00 2.98 3.14 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 0.00 136 A 8.96 4.88 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 0.00 137 K 9.63 4.59 0.00 1.66 1.62 0.00 0.76 0.00 0.00 1.16 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.06 7.81 138 L 8.54 5.05 0.00 1.63 1.54 0.93 0.91 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 0.00 139 T 9.09 4.58 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 1.21 0.00 0.00 140 K 8.75 4.63 0.00 1.72 1.66 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.39 7.81 141 A 8.42 4.71 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 0.00 142 S 7.83 4.28 0.00 3.64 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 * Residues marked with a * may have inaccurate shift predictions.