NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 S 4.2532 8.3344 117.0934 57.0726 63.2780 174.9904 3 Q 2.8822 8.5102 112.0224 57.8945 26.3795 167.0516 4 V 4.4918 7.9492 122.8115 60.4628 34.5972 174.9746 5 S 4.4826 8.7136 121.9912 58.0177 63.0927 174.5867 6 T 4.2550 8.3086 113.7908 62.4998 69.4433 174.5481 7 E 4.7885 7.7232 120.4352 53.7010 32.4559 175.4490 8 F 4.1425 8.6916 122.9971 58.3206 39.9800 174.6464 9 I 4.1899 6.9504 127.4943 58.4065 38.9123 173.6135 10 P 4.3659 0.0000 0.0000 62.8875 31.8944 176.2807 11 T 4.7082 8.7687 113.6221 60.5432 71.9185 173.6349 12 R 4.9722 9.0492 122.6893 55.1463 31.8267 175.3999 13 I 4.9052 8.7602 125.4069 59.2553 40.3705 174.5846 14 A 4.7061 8.5109 127.9122 49.8982 21.7642 175.2877 15 I 4.8082 8.0325 121.7538 59.2728 40.6025 174.3005 16 L 5.4506 9.2622 129.2615 53.6609 44.8035 174.8592 17 T 4.9996 8.8277 122.9807 61.9420 71.1994 173.5916 18 V 4.6202 8.4765 126.9757 61.8111 33.2249 174.4794 19 S 4.5330 8.9505 120.8594 57.7453 65.7322 175.9885 20 N 4.4384 9.1717 124.6937 55.5612 38.8241 176.0686 21 R 4.4209 7.7905 115.0780 57.2395 32.0766 176.9551 22 R 4.2096 8.0813 117.3614 55.9565 30.7721 176.6314 23 G 4.1695 8.5655 112.9269 44.1254 0.0000 173.3702 24 E 3.9565 8.8606 117.4863 59.7265 29.1361 179.0923 25 E 4.0581 8.2351 117.2000 58.6490 29.7992 177.3760 26 D 4.7452 7.8099 116.5191 53.9993 42.9097 177.3116 27 D 4.5990 7.5847 121.6434 53.2962 38.1952 176.3344 28 T 3.9168 7.6123 120.7325 66.3878 68.5760 176.3246 29 S 4.3189 8.0711 116.8446 61.5227 62.9023 176.7902 30 G 3.9054 8.2852 109.8578 47.5977 0.0000 175.5174 31 H 4.2405 8.2579 118.6325 58.6950 28.6246 177.1822 32 Y 3.9523 8.1446 121.4193 60.7405 38.5552 178.3478 33 L 3.3921 7.9526 119.7943 57.3221 41.6754 179.3458 34 R 3.6645 7.9779 118.8309 59.5940 30.0910 178.2954 35 D 4.1987 8.1828 118.9197 57.4455 40.8577 179.1253 36 S 3.7544 7.5598 115.6135 61.1269 62.6142 176.5427 37 A 3.9532 7.2818 123.6081 55.2275 18.1231 179.7237 38 Q 4.0872 7.9893 116.5155 59.2850 28.5784 178.9551 39 E 3.9433 7.9920 118.0940 59.1311 29.5462 178.7597 40 A 4.1482 7.7886 119.0756 52.7261 18.7833 178.1369 41 G 3.7623 7.7098 104.4472 45.1269 0.0000 173.7306 42 H 4.7236 8.0663 116.6696 55.7757 30.2711 174.3285 43 H 4.8598 8.8115 117.2595 54.3379 30.6148 174.6052 44 V 4.3333 8.4480 124.3792 62.4458 31.0880 175.7496 45 V 4.1279 8.6492 122.2731 62.2795 32.6052 175.7122 46 D 4.6474 7.5395 118.1791 53.5372 44.5473 173.7955 47 K 5.3245 8.5792 122.3458 55.4715 35.3619 174.5657 48 A 4.9073 9.3382 127.1347 50.7321 23.3239 174.7604 49 I 5.0500 8.3703 119.5428 59.6520 40.0260 175.6136 50 V 4.5804 8.7212 119.4526 59.1663 35.8182 175.6010 51 K 4.8192 8.3917 122.0254 55.6818 33.3622 178.0250 52 E 4.3734 8.8464 121.9359 55.1576 27.7531 174.8129 53 N 4.8024 7.8614 119.4234 50.5461 42.2167 175.2401 54 R 3.7567 8.3570 123.3719 59.4708 29.3401 178.4350 55 Y 4.0486 7.3085 116.7238 60.6369 38.1246 177.6195 56 A 3.9906 8.4414 121.8178 55.0556 18.4084 179.7913 57 I 3.5660 7.6217 118.2537 64.6658 37.1317 178.9179 58 R 3.8438 8.1871 118.8879 58.9789 29.8808 179.0450 59 A 3.8952 8.0936 120.6534 55.2161 18.5668 179.5633 60 Q 3.3968 7.7004 117.8495 59.1221 28.9901 178.4731 61 V 3.6088 7.7223 119.4099 65.9321 31.5417 178.1262 62 S 4.1093 8.3584 115.1639 61.4347 62.6474 176.4876 63 A 3.9642 7.7596 123.2548 55.1014 17.9072 179.8159 64 W 4.4575 7.6699 115.8121 59.8942 29.1716 178.4678 65 I 3.9111 8.0936 119.1673 64.4792 36.7220 177.9572 66 A 4.2517 7.9439 119.5276 52.9508 18.6668 178.0252 67 S 4.3538 7.0197 111.4131 58.3084 63.6066 174.5641 68 D 4.5167 8.6751 121.5176 56.5256 40.9184 177.1837 69 D 4.6171 7.9252 116.8291 53.9212 40.8797 176.7223 70 V 3.7269 7.6574 120.3452 62.6078 31.7327 175.1576 71 Q 4.4471 8.8154 126.5404 56.7378 30.8403 175.9884 72 V 4.7232 7.4380 118.0794 60.9456 35.4513 174.0480 73 V 4.6916 8.9588 127.7474 61.1201 34.0788 173.8839 74 L 5.1016 8.7675 128.4303 53.1705 43.4348 175.5010 75 I 5.1336 8.9733 124.9409 59.6805 40.6796 174.4670 76 T 4.6647 9.0803 120.6514 61.2851 70.2129 173.6885 77 G 4.1394 8.7271 114.6597 47.2802 0.0000 173.3739 78 G 3.8813 8.9689 107.4522 45.8666 0.0000 174.7394 79 T 4.4301 7.7247 107.5164 60.9074 69.4021 175.3306 80 G 4.6236 7.8811 111.3698 45.5108 0.0000 173.6141 81 L 4.5452 8.4189 119.0147 54.5794 42.2877 176.5012 82 T 4.4487 7.6888 113.3492 60.3027 70.7125 176.1845 83 E 3.9942 8.7598 117.4882 58.9696 29.6289 177.2022 84 G 3.7192 7.5858 105.0212 47.1221 0.0000 173.2945 85 D 4.5974 8.1244 121.4642 53.9526 40.7737 176.5153 86 Q 4.7255 8.4396 121.2863 55.0418 30.6391 177.4247 87 A 3.9333 8.5536 122.6940 54.9118 18.3189 178.5651 88 P 4.1950 0.0000 0.0000 65.7417 31.2136 178.7696 89 E 3.8993 8.0330 115.9218 59.1436 29.4831 178.7579 90 A 3.9818 7.9977 120.4501 54.8083 18.6648 179.1456 91 L 4.0200 7.6546 117.0295 57.2124 42.1405 179.0537 92 L 2.9548 7.6846 119.1900 57.3091 41.3707 177.8543 93 P 4.3334 0.0000 0.0000 64.4148 31.3949 177.5844 94 L 4.3180 7.5560 116.7779 54.4381 42.3572 176.7984 95 F 4.8931 7.2679 118.5639 56.9902 39.8494 175.6020 96 D 4.6030 9.0493 125.6560 57.2787 41.0455 177.1125 97 R 4.8082 7.5298 115.7799 54.6179 34.7845 173.9933 98 E 4.4771 8.8378 122.9239 55.7235 31.3282 176.6705 99 V 4.2549 8.3529 126.9832 61.0528 30.4533 175.7338 100 E 4.2101 8.6455 125.2228 58.9120 29.6100 178.6694 101 G 3.7186 8.1720 105.2916 47.3489 0.0000 175.3342 102 F 4.3542 8.3403 122.7792 61.3687 39.4086 177.3138 103 G 3.6387 8.2756 104.7108 47.8854 0.0000 175.2139 104 E 3.9611 7.8098 119.4393 59.1728 29.6127 179.3468 105 V 3.7071 7.7383 117.0552 65.8237 31.9081 177.4085 106 F 4.1187 8.1886 120.6027 61.0185 39.1027 178.3711 107 R 4.0618 8.1301 118.1935 56.3105 30.0207 178.2092 *109 L 4.1572 7.9478 118.6000 54.3703 43.8925 179.3963 110 S 3.8794 8.0727 112.9799 61.0441 62.1417 175.8886 111 F 4.4146 8.4557 123.8089 61.4172 38.8856 176.9344 112 E 3.7405 8.0363 116.6803 59.1638 29.3425 178.5564 113 E 4.0855 7.7216 118.2314 58.3086 29.9868 177.2282 114 I 4.3528 7.7043 108.1806 59.4596 39.5642 177.4406 115 G 3.5883 7.8431 109.9998 46.3270 0.0000 175.2541 116 T 4.2371 8.4611 109.0739 64.4505 68.7787 176.3864 117 S 4.1093 8.2728 118.0343 61.6279 62.6543 175.7886 118 T 3.8621 8.0894 116.0673 65.5236 66.6730 175.5277 119 L 4.1567 8.0957 119.6381 57.0984 41.9383 178.4071 120 Q 4.3621 8.2462 117.1593 55.6521 28.8741 175.3029 121 S 5.2113 7.3444 115.3161 56.9149 66.9233 173.7032 122 R 4.8829 8.1372 118.2506 54.7638 29.2860 176.1050 123 A 4.4407 8.0739 119.9167 53.1299 19.4089 178.8004 124 V 4.8149 8.9404 118.9792 60.8249 35.3092 172.8479 125 A 5.0359 8.6900 122.6164 50.9350 23.3340 174.8166 126 G 2.8933 7.9911 105.3530 45.1086 0.0000 172.0126 127 V 4.9403 8.2820 118.5895 60.8843 35.1743 174.3966 128 A 4.8720 8.6718 127.9222 50.7020 22.3916 175.8463 129 N 4.1782 10.0371 123.1721 54.9704 38.1912 174.2179 130 K 3.8702 8.0398 110.4568 57.4370 30.2769 174.8042 131 T 4.9430 7.7242 116.3898 61.6694 70.6919 173.4858 132 L 4.3825 8.5452 129.8571 54.5389 43.5888 175.3711 133 I 4.8964 8.6527 127.2517 59.4659 40.2578 174.4160 134 L 4.5718 9.0495 127.3696 52.7469 44.4792 175.5037 135 A 5.4024 8.8795 126.0547 48.7729 22.1061 173.7078 *137 P 4.4069 0.0000 0.0000 62.0434 32.5924 177.4943 138 G 3.9519 8.5498 108.4236 48.4433 0.0000 175.3564 139 S 4.3080 7.8953 115.6488 58.5503 64.9172 175.3700 140 T 3.9004 8.3664 122.3874 65.9003 68.3103 176.7856 141 K 3.7543 8.0694 121.0073 59.5561 32.1351 178.4350 142 A 4.2254 8.0896 120.7934 55.5498 18.3522 179.3465 143 C 4.2132 8.1736 115.2660 62.9543 28.0862 176.4064 144 R 4.2184 7.9836 121.8727 59.2021 29.6925 178.7027 145 T 3.9234 8.1193 115.3108 66.5794 68.3929 176.5224 146 A 4.2527 8.5524 122.7328 54.9739 18.4217 179.4676 147 W 4.1445 8.9488 127.2460 60.9063 30.7041 178.1120 148 E 4.0021 8.7042 117.3895 58.9923 29.0665 178.2938 149 N 4.8063 7.9998 113.3384 53.3534 39.4661 175.1525 150 I 4.4684 7.4385 118.4191 62.7223 40.0478 177.7052 151 I 3.7406 8.2348 120.6273 64.1854 36.8219 178.2211 152 A 3.1354 6.8725 120.1687 54.5043 18.4988 177.4946 153 P 4.3064 0.0000 0.0000 65.9085 31.6161 178.6484 154 Q 4.2245 7.9048 115.6501 57.6457 28.5194 177.3574 155 L 4.6737 7.5817 118.5080 53.6745 42.3499 175.6001 156 D 4.6079 7.5264 120.1071 52.3595 41.4935 176.7779 157 A 4.2426 8.3892 130.6058 54.8660 18.4700 178.7149 158 R 4.3998 8.1103 112.7853 56.9203 30.6090 177.0859 159 T 4.0173 7.8152 116.1713 63.4558 68.7413 174.1844 160 R 4.6153 8.2473 125.5369 53.8700 32.0500 174.9315 161 P 4.4121 0.0000 0.0000 65.2626 31.8401 175.8209 162 C 4.7791 7.5702 111.5577 57.3993 32.1152 172.1535 163 N 5.3234 7.7339 115.6105 52.4425 39.3488 173.9667 164 F 4.2039 8.6758 115.6218 60.1095 39.6724 177.4384 165 H 4.1484 8.8276 121.4582 58.8827 29.6023 175.2858 166 P 4.1137 0.0000 0.0000 65.2261 31.1173 176.7086 167 H 4.8975 8.0244 112.2982 55.3457 29.4441 174.5908 168 L 4.4596 7.5456 119.5280 53.7775 42.5169 176.8037 169 K 3.7972 8.3880 122.6310 57.4629 32.4251 176.4493 170 K 4.2808 8.7301 126.9651 55.6372 32.8916 177.4428 171 G 3.7808 8.7352 112.8980 45.9026 0.0000 173.6654 172 S 4.3778 8.4191 114.8255 58.4455 63.1446 174.4925 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 *2 S 8.33 4.25 0.00 3.65 3.61 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 3 Q 8.51 2.88 0.00 2.38 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.64 0.00 0.00 0.00 0.00 0.00 2.27 1.98 0.00 4 V 7.95 4.49 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 0.88 0.00 0.00 0.98 0.00 0.00 5 S 8.71 4.48 0.00 3.87 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 6 T 8.31 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 1.21 0.00 0.00 7 E 7.72 4.79 0.00 1.97 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 2.25 2.21 0.00 8 F 8.69 4.14 0.00 2.93 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 9 I 6.95 4.19 1.38 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 1.28 0.76 0.69 0.00 0.00 10 P 0.00 4.37 0.00 1.91 2.12 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 11 T 8.77 4.71 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 1.17 0.00 0.00 12 R 9.05 4.97 0.00 1.86 1.86 0.00 3.08 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 13 I 8.76 4.91 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.84 0.00 0.00 14 A 8.51 4.71 -0.61 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 0.00 0.00 15 I 8.03 4.81 1.80 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 1.02 0.91 0.91 0.00 0.00 16 L 9.26 5.45 0.00 2.14 1.67 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.83 5.00 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 1.28 0.00 0.00 18 V 8.48 4.62 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 0.94 0.00 0.00 19 S 8.95 4.53 0.00 3.85 3.63 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 20 N 9.17 4.44 0.00 2.76 2.86 0.00 0.00 6.91 7.66 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 21 R 7.79 4.42 0.00 1.77 1.95 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 R 8.08 4.21 0.00 1.81 1.87 0.00 3.15 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 23 G 8.57 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.86 3.96 0.00 2.02 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 0.00 2.44 2.36 0.00 25 E 8.24 4.06 0.00 1.98 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 0.00 2.30 2.42 0.00 26 D 7.81 4.75 0.00 2.79 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 27 D 7.58 4.60 0.00 2.89 2.48 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 28 T 7.61 3.92 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 1.24 0.00 0.00 29 S 8.07 4.32 0.00 3.89 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 30 G 8.29 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 31 H 8.26 4.24 0.00 3.43 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.14 3.95 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.95 3.39 0.00 1.78 1.50 0.97 0.71 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 R 7.98 3.66 0.00 1.84 2.03 0.00 3.04 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 35 D 8.18 4.20 0.00 2.54 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 36 S 7.56 3.75 0.00 2.72 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 37 A 7.28 3.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.99 4.09 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 39 E 7.99 3.94 0.00 2.08 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 2.30 2.30 0.00 40 A 7.79 4.15 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 41 G 7.71 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 42 H 8.07 4.72 0.00 3.34 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.81 4.86 0.00 3.09 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.45 4.33 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 0.71 0.00 0.00 0.84 0.00 0.00 45 V 8.65 4.13 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 0.64 0.00 0.00 0.85 0.00 0.00 46 D 7.54 4.65 0.00 2.70 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 0.00 0.00 0.00 0.00 47 K 8.58 5.32 0.00 1.75 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.57 7.81 48 A 9.34 4.91 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 49 I 8.37 5.05 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 0.76 0.96 0.00 0.00 50 V 8.72 4.58 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 0.66 0.00 0.00 0.96 0.00 0.00 51 K 8.39 4.82 0.00 1.64 1.96 0.00 1.79 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.31 7.81 52 E 8.85 4.37 0.00 1.85 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 2.32 2.44 0.00 53 N 7.86 4.80 0.00 2.66 2.59 0.00 0.00 6.81 7.65 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 54 R 8.36 3.76 0.00 1.75 1.86 0.00 2.63 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 55 Y 7.31 4.05 0.00 3.18 3.03 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 56 A 8.44 3.99 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 57 I 7.62 3.57 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.87 0.00 0.00 58 R 8.19 3.84 0.00 1.83 1.96 0.00 3.08 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 59 A 8.09 3.90 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 60 Q 7.70 3.40 0.00 1.87 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 61 V 7.72 3.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.96 0.00 0.00 62 S 8.36 4.11 0.00 3.91 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 63 A 7.76 3.96 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 64 W 7.67 4.46 0.00 3.59 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 65 I 8.09 3.91 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 1.03 0.00 0.00 66 A 7.94 4.25 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 67 S 7.02 4.35 0.00 4.21 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 68 D 8.68 4.52 0.00 2.71 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 69 D 7.93 4.62 0.00 2.75 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 70 V 7.66 3.73 2.27 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 0.58 0.00 0.00 0.73 0.00 0.00 71 Q 8.82 4.45 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 72 V 7.44 4.72 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 0.92 0.00 0.00 0.78 0.00 0.00 73 V 8.96 4.69 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 1.21 0.00 0.00 1.08 0.00 0.00 74 L 8.77 5.10 0.00 1.59 1.58 0.99 0.95 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 75 I 8.97 5.13 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.96 0.00 0.00 76 T 9.08 4.66 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 77 G 8.73 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 78 G 8.97 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 79 T 7.72 4.43 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 1.23 0.00 0.00 80 G 7.88 4.62 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 0.00 81 L 8.42 4.55 0.00 1.63 1.68 0.98 0.81 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 82 T 7.69 4.45 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 1.26 0.00 0.00 83 E 8.76 3.99 0.00 2.01 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 2.23 1.89 0.00 84 G 7.59 3.72 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 0.00 0.00 0.00 85 D 8.12 4.60 0.00 2.95 2.80 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 86 Q 8.44 4.73 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.17 0.00 87 A 8.55 3.93 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 88 P 0.00 4.19 0.00 2.16 2.12 0.00 3.58 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 2.12 2.20 0.00 89 E 8.03 3.90 0.00 1.98 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 2.27 2.39 0.00 90 A 8.00 3.98 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 91 L 7.65 4.02 0.00 1.61 1.52 1.02 0.71 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 92 L 7.68 2.95 0.00 1.59 1.56 0.89 0.96 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 93 P 0.00 4.33 0.00 1.94 2.05 0.00 3.53 0.00 0.00 3.47 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 94 L 7.56 4.32 0.00 1.66 1.75 0.90 0.69 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 95 F 7.27 4.89 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 96 D 9.05 4.60 0.00 2.81 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 97 R 7.53 4.81 0.00 1.71 1.75 0.00 3.12 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 98 E 8.84 4.48 0.00 2.14 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 2.34 2.62 0.00 99 V 8.35 4.25 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 1.10 0.00 0.00 0.96 0.00 0.00 100 E 8.65 4.21 0.00 2.09 2.04 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.94 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 1.05 0.00 0.00 0.89 0.00 0.00 128 A 8.67 4.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 10.04 4.18 0.00 2.81 2.87 0.00 0.00 7.29 7.02 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 0.00 130 K 8.04 3.87 0.00 2.02 2.06 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.45 7.81 131 T 7.72 4.94 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 1.32 0.00 0.00 132 L 8.55 4.38 0.00 1.30 1.16 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.65 4.90 1.86 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 1.28 1.03 1.07 0.00 0.00 134 L 9.05 4.57 0.00 1.27 0.87 0.64 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.88 5.40 1.30 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 *137 P 0.00 4.41 0.00 2.15 2.10 0.00 3.47 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 138 G 8.55 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 0.00 139 S 7.90 4.31 0.00 4.08 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 0.00 140 T 8.37 3.90 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 1.04 0.00 0.00 141 K 8.07 3.75 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 142 A 8.09 4.23 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.17 4.21 0.00 3.12 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.98 4.22 0.00 1.32 1.94 0.00 3.08 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 145 T 8.12 3.92 4.57 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 1.18 0.00 0.00 146 A 8.55 4.25 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 0.00 147 W 8.95 4.14 0.00 3.72 3.47 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 0.00 148 E 8.70 4.00 0.00 2.18 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 2.63 2.83 0.00 149 N 8.00 4.81 0.00 2.90 2.88 0.00 0.00 6.85 7.84 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 0.00 150 I 7.44 4.47 2.23 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 1.49 0.96 1.16 0.00 0.00 151 I 8.23 3.74 1.71 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 1.49 1.07 0.78 0.00 0.00 152 A 6.87 3.14 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.14 2.09 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 154 Q 7.90 4.22 0.00 2.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 155 L 7.58 4.67 0.00 1.56 1.62 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 156 D 7.53 4.61 0.00 2.93 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 0.00 157 A 8.39 4.24 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.11 4.40 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 159 T 7.82 4.02 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 0.00 160 R 8.25 4.62 0.00 1.78 1.83 0.00 3.20 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 161 P 0.00 4.41 0.00 2.15 2.16 0.00 3.76 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 1.95 1.93 0.00 162 C 7.57 4.78 0.00 2.96 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 0.00 163 N 7.73 5.32 0.00 2.97 2.78 0.00 0.00 6.45 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.68 4.20 0.00 3.29 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 0.00 165 H 8.83 4.15 0.00 3.15 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.11 0.00 1.76 2.03 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 167 H 8.02 4.90 0.00 3.18 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.55 4.46 0.00 1.56 1.58 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.39 3.80 0.00 1.91 1.75 0.00 1.88 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 170 K 8.73 4.28 0.00 1.68 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.44 7.81 171 G 8.74 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 0.00 0.00 0.00 172 S 8.42 4.38 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.