NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 S 4.3667 8.3344 115.2906 58.1773 62.8291 171.9820 43 L 3.9664 7.6717 124.3623 54.0063 43.0883 174.6028 44 T 4.3879 9.1833 124.2140 63.5124 70.0020 173.5533 45 E 4.5151 9.0320 126.4768 55.5054 31.9050 175.3816 46 T 4.8944 7.9443 118.2719 62.0788 71.8514 173.3626 47 Y 4.4867 9.1419 124.3073 56.5399 41.0429 177.8075 48 G 3.9810 8.6671 117.9840 46.9190 0.0000 173.6638 49 L 4.4856 7.9711 124.7234 54.2927 42.5996 176.0078 50 W 4.8612 8.4390 119.8304 55.4077 31.3871 175.5217 51 S 5.3621 9.0125 118.4973 56.8802 66.3797 173.1341 52 I 5.0483 8.6705 122.2394 59.7266 40.7042 174.3436 53 N 5.1362 8.3238 123.2083 51.4931 42.3331 172.8413 54 C 5.4118 8.3916 118.9742 55.6902 40.9021 173.0397 55 G 4.1812 8.6361 107.4626 46.0339 0.0000 171.5964 56 I 5.1055 8.3496 113.4324 59.7619 38.7149 175.9664 57 Q 4.2329 8.6274 120.9852 55.3250 31.4731 174.8994 *60 K 3.9788 7.8294 118.9974 55.7754 33.5164 174.6470 61 K 4.6621 8.7416 130.3678 56.1832 32.7628 176.1969 62 V 4.4763 9.1190 128.9769 60.1702 33.6360 173.8816 63 C 5.4742 8.9543 123.3031 55.0590 37.8451 173.1362 64 F 5.4247 8.8483 118.2840 55.2011 41.5156 173.3554 65 M 5.3747 9.4494 120.5591 54.2122 34.5117 174.2174 66 H 5.7290 9.6922 120.8397 54.6448 32.9681 172.2774 67 R 4.3964 8.6647 119.1621 55.0624 33.4526 173.5522 68 Q 5.0114 8.5264 124.5026 54.1337 31.6857 174.5548 69 E 4.6921 9.2428 122.1185 54.6528 32.3864 175.6072 70 V 4.9137 8.2624 116.0826 59.6595 35.5838 175.3647 71 N 4.7951 8.0848 120.1460 51.6021 39.5484 175.3315 72 D 4.4067 8.5650 116.3800 56.3707 39.5742 176.7957 73 Q 4.2423 8.1183 116.7257 55.3953 28.9549 174.8971 74 N 4.3002 8.0789 115.7460 54.3719 37.8153 173.4528 75 R 4.5719 8.0807 112.5963 53.1369 31.4087 175.4467 76 V 3.8068 8.3726 121.8659 63.4017 32.0280 174.9629 77 V 4.2875 8.5051 127.2659 63.8088 33.3156 176.3374 78 V 4.8111 7.4457 118.1565 59.9011 34.8238 174.3375 79 A 5.1300 9.1014 124.3253 50.5183 23.2126 174.4730 80 M 5.2911 9.0732 119.1514 53.9936 36.0463 173.9727 81 S 5.4649 9.5307 120.3952 56.7037 66.2991 172.7107 82 V 5.0533 9.5023 125.8837 61.5358 35.3831 174.2216 83 V 4.8408 9.2556 119.9342 59.4779 35.6754 174.0913 84 L 4.8102 8.3720 124.4442 53.8706 43.1406 176.2051 85 N 4.7418 8.9828 124.0519 51.8965 39.8879 176.1268 86 A 4.0152 8.5232 122.4062 55.1546 18.4824 178.1239 87 D 4.6603 8.1194 113.2501 53.2731 39.5462 177.4612 88 G 3.9495 8.1795 107.3523 45.6596 0.0000 174.2484 89 V 4.0394 7.4221 120.0514 61.0323 33.4834 175.1450 90 V 4.8690 8.2129 123.3743 61.6654 33.0383 174.7426 91 S 4.8979 9.2027 121.5734 56.0093 66.9856 174.0456 92 G 4.2959 7.7054 107.5509 46.4846 0.0000 171.5370 93 N 5.4502 8.5922 119.6810 51.3449 43.2551 173.2157 94 L 4.8696 9.2311 124.7412 53.6821 44.8928 174.9677 95 T 4.8797 9.3555 124.0040 62.1697 70.4546 174.2433 96 V 4.6885 8.5961 119.7579 58.4461 35.4424 173.5315 97 P 4.5826 0.0000 0.0000 62.2742 32.0741 176.4853 98 F 4.4904 8.2578 119.7439 58.7160 39.6405 176.1587 99 G 3.9692 9.0891 109.3801 45.7950 0.0000 172.8551 100 I 4.4621 7.4105 119.9226 59.4414 38.1193 175.2534 101 L 4.0112 9.0588 127.7519 55.1673 41.7900 177.8579 102 V 3.7845 8.3713 127.3382 65.4838 31.7814 177.1279 103 S 4.3352 8.0098 112.8520 59.5167 63.5354 174.0767 104 K 4.5170 7.2300 119.1855 54.2373 33.4007 174.5133 105 P 4.6611 0.0000 0.0000 62.4962 32.8420 175.6108 106 V 4.4538 8.9075 121.8663 61.6151 33.3822 174.5669 107 R 5.1606 9.2119 127.5889 54.5516 32.5707 175.0775 108 L 5.3720 9.2651 123.7354 53.0716 44.7011 175.3659 109 Q 4.7724 9.1086 124.1892 54.4091 33.1607 173.8593 110 V 4.2523 8.4471 126.3498 61.7923 32.5039 176.5341 111 D 4.2535 8.6543 131.0231 55.9446 40.3011 175.0451 112 E 4.4800 8.9588 126.7308 56.7324 29.9634 175.6487 113 G 3.8041 7.6239 108.3082 45.6037 0.0000 173.8794 114 K 4.2477 8.2510 116.5585 55.8978 33.1083 176.8057 115 A 4.2144 7.8084 122.3826 51.8612 17.9056 176.8049 116 V 4.8571 8.2584 121.4238 62.0179 34.9315 174.5029 117 I 4.5174 9.0428 128.4021 59.5612 39.6139 173.9610 118 E 4.9606 8.6991 127.3571 55.0139 31.4145 174.6146 119 T 4.5745 8.6869 120.8015 61.6027 71.3560 171.6332 120 G 4.4399 8.2675 107.4830 44.7165 0.0000 172.6909 121 I 4.1378 8.2202 121.1097 61.2795 37.6740 176.5117 122 R 4.0999 8.8675 126.4843 58.7568 30.5087 175.7542 123 T 4.4702 7.1830 109.3477 61.6310 70.1666 171.9786 124 C 5.4693 8.5644 120.6270 55.1503 44.6986 173.7737 125 V 4.6350 8.6440 115.3400 58.5361 35.0439 174.8785 126 P 4.4454 0.0000 0.0000 66.0593 31.0616 178.1333 127 A 4.0337 7.8584 119.2856 53.5206 19.0536 177.2497 128 G 2.8147 6.7185 102.2608 44.2988 0.0000 170.7262 129 C 5.1082 8.2489 118.5239 55.7627 41.3643 173.1105 130 I 4.7391 9.0281 125.2547 59.9415 38.7947 174.8147 131 V 4.6568 9.0069 127.9760 60.3781 33.3913 173.0099 132 P 5.1395 0.0000 0.0000 61.9245 32.2230 176.1533 133 I 4.4188 8.5955 116.3888 59.0159 41.0219 174.2011 134 V 4.3918 7.8706 124.3582 61.0047 34.3866 174.1515 135 F 5.1103 9.1753 127.2955 55.6515 41.2972 175.8222 136 D 4.8090 8.8041 123.3201 52.1938 41.0455 177.1349 137 K 3.8986 8.8064 118.3818 60.0676 31.7846 179.2336 138 N 4.3978 8.2226 116.0208 56.4120 38.5370 176.7593 139 Y 3.8093 8.6677 121.1713 60.3485 38.8680 177.8751 140 V 3.5279 8.2614 119.3575 66.0072 31.1713 177.9348 141 A 3.9743 7.9629 119.8059 54.9419 18.1116 179.5346 142 A 3.8088 7.5734 119.1145 55.1574 18.1722 179.8185 143 L 3.4533 7.4026 116.5933 57.8058 41.5588 179.7259 144 R 4.0350 7.6631 116.9605 58.4927 30.0941 178.0190 145 A 4.4862 7.3971 117.1475 51.4907 19.5599 177.4157 146 G 3.8214 7.0327 106.0307 44.8558 0.0000 173.5853 147 K 4.5069 8.8439 117.1893 57.4524 34.5977 176.6672 148 H 5.2868 8.4694 115.2228 53.8330 33.2704 172.9624 149 L 4.6785 9.0913 125.0475 53.4926 43.0770 175.3500 150 K 4.6971 9.4472 127.3500 56.1546 33.3756 176.2720 151 L 5.3615 8.8668 124.1368 52.9921 44.4563 175.9006 152 A 5.1216 8.9218 123.8520 50.5538 22.4738 175.0789 153 M 5.1851 9.0477 118.9396 54.6690 35.8387 173.4383 154 T 5.0051 8.3286 114.4232 61.7856 71.5620 173.9490 155 I 4.3398 8.7762 127.3919 60.9325 38.6199 175.7305 156 A 4.6837 8.7117 129.5207 51.0326 16.7447 176.2977 157 A 4.6059 7.9233 122.6011 49.5025 22.7741 174.2725 158 P 4.3276 0.0000 0.0000 64.5454 31.5364 177.2523 159 G 3.8831 8.7843 112.1306 44.2243 0.0000 172.7608 160 E 4.0838 7.7685 116.7968 55.8198 27.3143 172.7956 161 P 4.6659 0.0000 0.0000 61.5427 33.3369 175.5813 162 P 4.8691 0.0000 0.0000 62.6380 32.9003 175.4798 163 L 4.6731 9.2463 124.1455 53.8779 43.7082 176.1608 164 N 5.1907 8.9576 122.3727 52.9305 40.3031 174.9074 165 D 4.7894 8.0928 116.7180 53.4781 40.3608 176.1591 166 L 4.4373 7.5764 120.9670 54.4108 43.4769 175.4171 167 F 5.4351 7.6398 115.5844 56.1531 41.2578 173.1019 168 V 4.6546 8.8432 119.1742 61.1023 33.9701 174.5560 169 Q 4.4987 9.5012 127.9605 55.8042 29.3657 176.1370 170 L 4.8644 9.0185 122.7689 54.4219 42.3019 175.5230 171 N 4.4529 8.1609 119.0503 57.0739 38.7810 175.2747 172 G 4.2131 9.1989 114.5688 45.2262 0.0000 174.1356 173 F 3.1335 8.3902 122.3428 61.0706 39.1843 176.8891 174 S 4.0572 8.0375 111.9962 61.6290 62.4600 175.7203 175 N 4.1565 8.0524 118.4149 56.1498 38.2958 177.1772 176 A 3.2685 7.7931 122.2426 54.6581 18.4283 179.4861 177 L 3.6315 7.6371 119.0973 58.0394 42.0985 178.7949 178 N 4.2158 8.0629 116.6866 56.3216 38.4142 177.3013 179 R 3.7827 7.4914 119.5988 59.3118 29.9834 178.5678 180 L 3.9414 7.7231 118.8464 57.7168 41.0147 179.6012 181 I 3.6765 7.8063 119.5948 64.3436 36.9126 178.3664 182 A 4.0376 8.0461 121.5816 55.0860 17.9555 179.5939 183 L 4.0186 7.9480 116.5644 57.5064 41.7495 179.2925 184 Q 4.1461 7.6164 118.0121 58.8122 28.7070 178.3756 185 K 4.1515 7.5820 117.7227 59.0531 32.1553 177.5276 186 E 4.2784 7.7871 122.7853 56.5786 29.5744 176.4972 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 42 S 8.33 4.37 0.00 3.86 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 43 L 7.67 3.97 0.00 1.70 1.54 0.91 0.75 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 44 T 9.18 4.39 4.22 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 1.20 0.00 0.00 45 E 9.03 4.52 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 46 T 7.94 4.89 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 1.18 0.00 0.00 47 Y 9.14 4.49 0.00 2.98 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 48 G 8.67 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 49 L 7.97 4.49 0.00 1.86 1.69 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.44 4.86 0.00 3.50 3.21 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 51 S 9.01 5.36 0.00 3.31 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.67 5.05 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 1.23 0.82 0.86 0.00 0.00 53 N 8.32 5.14 0.00 1.82 2.35 0.00 0.00 6.44 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 54 C 8.39 5.41 0.00 2.79 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 55 G 8.64 4.18 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 0.00 56 I 8.35 5.11 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 1.37 0.72 0.93 0.00 0.00 57 Q 8.63 4.23 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 *60 K 7.83 3.98 0.00 1.88 1.98 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 K 8.74 4.66 0.00 1.83 1.75 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.46 7.81 62 V 9.12 4.48 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 0.92 0.00 0.00 1.03 0.00 0.00 63 C 8.95 5.47 0.00 2.88 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 64 F 8.85 5.42 0.00 3.26 3.12 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 0.00 0.00 0.00 0.00 65 M 9.45 5.37 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 66 H 9.69 5.73 0.00 3.40 3.62 0.00 5.51 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.66 4.40 0.00 0.67 0.66 0.00 2.71 0.00 0.00 2.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.23 0.00 68 Q 8.53 5.01 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.47 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 69 E 9.24 4.69 0.00 1.64 1.64 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 2.10 2.45 0.00 70 V 8.26 4.91 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 0.70 0.00 0.00 0.90 0.00 0.00 71 N 8.08 4.80 0.00 2.87 2.94 0.00 0.00 7.08 8.32 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 72 D 8.56 4.41 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.12 4.24 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 74 N 8.08 4.30 0.00 2.85 2.92 0.00 0.00 6.95 7.81 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 75 R 8.08 4.57 0.00 2.00 2.00 0.00 2.84 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 76 V 8.37 3.81 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 0.71 0.00 0.00 0.94 0.00 0.00 77 V 8.51 4.29 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 0.77 0.00 0.00 0.91 0.00 0.00 78 V 7.45 4.81 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 0.61 0.00 0.00 0.96 0.00 0.00 79 A 9.10 5.13 1.16 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 0.00 0.00 80 M 9.07 5.29 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.05 0.00 81 S 9.53 5.46 0.00 3.92 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 82 V 9.50 5.05 2.39 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 0.98 0.00 0.00 1.30 0.00 0.00 83 V 9.26 4.84 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 0.97 0.00 0.00 1.04 0.00 0.00 84 L 8.37 4.81 0.00 1.65 1.57 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.98 4.74 0.00 2.90 2.74 0.00 0.00 6.45 7.38 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 86 A 8.52 4.02 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 87 D 8.12 4.66 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.18 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 89 V 7.42 4.04 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 0.72 0.00 0.00 1.02 0.00 0.00 90 V 8.21 4.87 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 1.31 0.00 0.00 1.02 0.00 0.00 91 S 9.20 4.90 0.00 3.93 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 92 G 7.71 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 93 N 8.59 5.45 0.00 2.57 2.63 0.00 0.00 6.89 7.56 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 94 L 9.23 4.87 0.00 1.77 1.69 1.03 0.96 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 95 T 9.36 4.88 4.18 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 1.09 0.00 0.00 96 V 8.60 4.69 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 0.75 0.00 0.00 0.92 0.00 0.00 97 P 0.00 4.58 0.00 1.91 1.95 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.20 0.00 98 F 8.26 4.49 0.00 3.07 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 99 G 9.09 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.41 4.46 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 1.51 0.88 0.96 0.00 0.00 101 L 9.06 4.01 0.00 1.78 1.72 0.93 0.95 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 0.00 102 V 8.37 3.78 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 0.88 0.00 0.00 0.95 0.00 0.00 103 S 8.01 4.34 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 0.00 104 K 7.23 4.52 0.00 1.82 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.40 7.81 105 P 0.00 4.66 0.00 1.94 1.98 0.00 3.66 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 2.03 2.08 0.00 106 V 8.91 4.45 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 0.98 0.00 0.00 0.94 0.00 0.00 107 R 9.21 5.16 0.00 1.82 1.86 0.00 3.33 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 108 L 9.27 5.37 0.00 1.66 1.76 0.96 1.04 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 0.00 109 Q 9.11 4.77 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 110 V 8.45 4.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.40 0.00 0.00 111 D 8.65 4.25 0.00 2.80 1.66 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 0.00 112 E 8.96 4.48 0.00 1.89 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 2.19 2.22 0.00 113 G 7.62 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.25 4.25 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 115 A 7.81 4.21 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 0.00 116 V 8.26 4.86 2.23 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 0.92 0.00 0.00 0.98 0.00 0.00 117 I 9.04 4.52 1.70 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.39 0.80 0.00 0.00 118 E 8.70 4.96 0.00 1.97 1.83 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 2.20 2.28 0.00 119 T 8.69 4.57 4.18 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 1.21 0.00 0.00 120 G 8.27 4.44 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 0.00 121 I 8.22 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.95 0.00 0.00 122 R 8.87 4.10 0.00 1.72 1.92 0.00 3.27 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 123 T 7.18 4.47 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 0.00 124 C 8.56 5.47 0.00 3.09 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 0.00 125 V 8.64 4.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 126 P 0.00 4.45 0.00 2.09 2.21 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 127 A 7.86 4.03 1.24 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 0.00 128 G 6.72 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 0.00 0.00 0.00 129 C 8.25 5.11 0.00 2.81 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 0.00 130 I 9.03 4.74 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.02 0.90 0.00 0.00 131 V 9.01 4.66 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 0.99 0.00 0.00 0.92 0.00 0.00 132 P 0.00 5.14 0.00 1.91 1.91 0.00 3.82 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 133 I 8.60 4.42 1.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.81 0.00 0.00 134 V 7.87 4.39 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 0.78 0.00 0.00 0.82 0.00 0.00 135 F 9.18 5.11 0.00 3.17 2.94 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 0.00 136 D 8.80 4.81 0.00 2.97 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 0.00 137 K 8.81 3.90 0.00 1.85 1.95 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.58 7.81 138 N 8.22 4.40 0.00 3.02 2.88 0.00 0.00 6.77 7.48 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 0.00 139 Y 8.67 3.81 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.26 3.53 2.30 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 1.03 0.00 0.00 1.15 0.00 0.00 141 A 7.96 3.97 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 0.00 142 A 7.57 3.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.40 3.45 0.00 1.34 0.51 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.66 4.04 0.00 1.89 1.98 0.00 3.16 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 1.77 1.96 0.00 145 A 7.40 4.49 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 0.00 146 G 7.03 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 0.00 147 K 8.84 4.51 0.00 1.81 1.86 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.38 7.81 148 H 8.47 5.29 0.00 2.96 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.09 4.68 0.00 1.77 1.83 1.12 0.82 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 0.00 150 K 9.45 4.70 0.00 1.87 1.79 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.54 1.46 7.81 151 L 8.87 5.36 0.00 1.68 1.60 1.08 1.02 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 0.00 152 A 8.92 5.12 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 0.00 153 M 9.05 5.19 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 154 T 8.33 5.01 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 0.00 155 I 8.78 4.34 1.95 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 1.18 0.77 0.95 0.00 0.00 156 A 8.71 4.68 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 0.00 157 A 7.92 4.61 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 0.00 158 P 0.00 4.33 0.00 2.05 2.03 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 159 G 8.78 3.88 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 0.00 0.00 0.00 160 E 7.77 4.08 0.00 2.07 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 2.22 0.00 161 P 0.00 4.67 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 162 P 0.00 4.87 0.00 2.09 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 2.00 1.97 0.00 163 L 9.25 4.67 0.00 1.71 1.57 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.96 5.19 0.00 2.74 2.82 0.00 0.00 7.15 8.06 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 0.00 165 D 8.09 4.79 0.00 2.87 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 0.00 166 L 7.58 4.44 0.00 1.65 1.56 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.64 5.44 0.00 3.06 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 0.00 168 V 8.84 4.65 2.30 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 1.20 0.00 0.00 1.02 0.00 0.00 169 Q 9.50 4.50 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 170 L 9.02 4.86 0.00 1.93 1.63 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.16 4.45 0.00 2.82 2.87 0.00 0.00 7.32 7.91 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 0.00 172 G 9.20 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 0.00 173 F 8.39 3.13 0.00 2.79 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 0.00 174 S 8.04 4.06 0.00 3.95 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 0.00 175 N 8.05 4.16 0.00 2.79 2.80 0.00 0.00 6.95 8.14 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 0.00 176 A 7.79 3.27 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 0.00 177 L 7.64 3.63 0.00 1.25 1.56 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.06 4.22 0.00 2.78 2.75 0.00 0.00 6.62 7.25 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 0.00 179 R 7.49 3.78 0.00 1.45 1.69 0.00 3.13 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 1.81 1.67 0.00 180 L 7.72 3.94 0.00 1.85 1.64 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.81 3.68 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.88 0.00 0.00 182 A 8.05 4.04 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 0.00 183 L 7.95 4.02 0.00 1.75 1.74 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.62 4.15 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 185 K 7.58 4.15 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.59 7.81 186 E 7.79 4.28 0.00 2.06 1.86 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 2.34 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.