NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 V 4.0584 8.0549 117.9022 60.3783 31.9121 174.4745 2 K 4.1898 8.1423 124.5793 51.5047 33.5261 175.5005 3 I 3.7871 8.2427 118.8897 62.7178 38.8526 175.3085 4 Y 4.5425 7.0384 118.3151 55.9737 37.3716 175.2866 5 T 4.0217 8.4761 115.9285 61.7429 69.8647 176.3194 6 K 4.0378 8.3415 119.3299 56.7502 30.0717 177.0421 7 N 4.4438 8.1860 116.5808 55.5932 38.7195 176.0371 8 G 4.1997 8.0073 105.8163 45.4785 0.0000 174.9263 9 D 4.5034 8.1176 119.8582 56.1486 40.9062 177.1691 10 K 4.3743 8.1729 116.9872 56.0633 32.5557 176.9354 11 G 4.0897 8.4851 108.3951 44.9872 0.0000 173.2149 12 Q 5.1231 7.7462 117.9829 54.5451 32.1346 174.3136 13 T 4.9201 8.6546 114.7623 60.7376 71.5205 172.8008 14 R 4.7661 8.6159 125.2387 55.7962 31.2812 176.5061 15 I 4.4493 7.9405 117.2788 59.0212 40.1741 174.8563 16 I 3.6426 7.5404 121.3223 62.7956 37.5631 177.2756 17 G 3.9436 8.4267 111.3073 45.9026 0.0000 172.8706 18 K 4.2030 8.3819 116.9949 58.4248 33.0426 177.4494 19 Q 4.3922 7.9452 117.9987 55.6757 29.9167 175.1765 20 I 5.0691 8.2328 115.1371 59.2857 40.2474 174.6132 21 L 4.9198 8.6657 122.9047 52.7920 46.2352 175.7273 22 Y 4.6065 8.4812 118.3597 58.2321 38.5402 177.9579 23 K 3.9718 9.0589 122.3036 59.0813 32.2995 177.8739 24 N 4.6534 8.0754 113.9666 52.5988 37.9434 175.2566 25 D 4.4783 8.1178 119.9060 54.1937 43.1501 175.2141 26 P 4.1972 0.0000 0.0000 65.8610 31.1563 178.8955 27 R 3.8943 8.6757 119.0378 59.3989 29.9968 178.6172 28 V 2.5763 7.6839 117.3373 65.5854 31.4307 177.5846 29 A 3.8253 8.1384 120.5121 54.8910 18.1767 179.5097 30 A 3.9022 7.8541 119.4328 55.5805 18.6345 179.4989 31 Y 4.3735 7.9171 115.9272 59.5962 38.1151 178.2439 32 G 3.5253 7.8956 108.4739 47.8081 0.0000 175.6412 33 E 3.9642 8.4779 121.3736 59.0106 29.3461 179.5084 34 V 3.5977 7.8266 118.4369 66.0284 31.4659 177.6170 35 D 4.1919 8.2708 117.7893 57.1822 41.0073 177.7317 36 E 3.9349 8.4448 120.1023 59.1711 29.6224 178.4695 37 L 4.0269 8.2344 120.5929 58.3138 42.1607 178.3881 38 N 4.3837 8.4773 117.1648 56.9613 38.7934 176.9538 39 S 4.1758 8.4272 116.7174 61.3645 62.9368 176.4727 40 W 3.9692 8.5685 131.2798 60.3628 30.3363 178.1803 41 V 3.7625 8.5855 118.9169 65.7724 30.9653 178.1552 42 G 3.6436 8.2785 105.5806 48.0049 0.0000 174.9175 43 Y 3.7431 7.6706 120.9662 60.4770 39.0364 177.9693 44 T 3.6763 7.7217 116.8958 66.5036 68.6864 176.4907 45 K 3.9508 8.2646 121.9560 59.3599 31.9544 178.6709 46 S 4.1860 7.5199 113.1993 60.2511 62.9737 175.3396 47 L 4.1664 7.2425 121.1056 53.7235 42.0677 176.7102 48 I 3.6675 6.8132 120.1558 61.9481 37.8682 174.6355 49 N 5.1195 8.7728 120.2177 50.9096 40.3472 175.0872 50 S 4.1849 8.6300 111.5655 61.7404 63.1312 175.3515 51 H 4.2606 8.3097 117.7985 57.8810 28.6686 176.1585 52 T 4.4690 7.9063 107.8781 61.1158 69.0996 175.6741 53 Q 3.9676 8.1437 125.4991 59.6073 29.0923 178.7960 54 V 3.8034 7.8077 109.7542 63.5861 31.7093 176.6120 55 L 4.5366 8.2963 119.3008 55.5113 42.5976 178.7539 56 S 4.1801 8.4480 114.2980 61.5710 62.3393 175.7229 57 N 4.4828 8.2339 119.0023 56.2805 38.3212 177.1326 58 E 4.4253 8.3827 118.5826 59.3310 29.8598 179.0434 59 L 4.1860 7.9528 120.3391 57.7192 41.7847 178.9637 60 E 4.0428 8.2834 118.9551 59.1764 29.5791 178.4482 61 E 3.9297 8.5176 119.4702 59.3552 29.6117 178.7811 62 I 3.9342 8.2837 120.0258 64.6311 37.2873 178.2953 63 Q 4.1231 8.3406 118.8157 59.1435 28.6040 178.9804 64 Q 4.1666 8.1382 118.6945 59.1962 28.7230 179.0297 65 L 4.0130 8.1134 119.8399 57.7826 41.5033 179.6487 66 L 4.0044 8.4008 119.2649 57.5923 41.4386 179.4683 67 F 4.1158 8.1941 117.5050 60.6498 38.6908 177.3783 68 D 4.4159 8.0265 118.0381 57.5678 40.6426 178.6895 69 C 3.8999 8.1704 117.5915 62.5980 28.1108 176.3036 70 G 3.6487 8.3228 107.6775 47.9209 0.0000 174.8731 71 H 3.9987 8.1868 119.7820 59.5087 30.2259 176.8029 72 D 4.6727 7.9386 120.3625 57.3105 40.3718 178.7940 73 L 4.0835 7.8610 118.6861 57.4063 42.0360 178.0137 74 A 4.0889 7.9198 120.0072 53.0061 18.6732 176.4780 75 T 4.7176 7.3932 113.4513 60.6375 70.0692 172.9515 76 P 4.4222 0.0000 0.0000 62.3192 31.9973 177.6462 77 A 3.7158 8.7293 124.7693 54.5068 18.5190 178.0678 78 D 4.6227 7.8524 113.1571 52.9936 39.6684 175.9472 79 D 4.4489 8.0026 123.2663 54.4640 40.4243 177.3474 *80 E 4.0645 8.8676 126.5588 59.1815 29.8678 175.7430 81 R 4.3801 7.4357 113.4532 57.0576 29.9678 179.8782 82 H 4.9323 7.7372 112.6754 55.1877 32.6481 172.8369 83 S 4.6518 8.4333 118.6301 56.6321 65.5053 173.1555 84 F 5.2159 8.4445 122.0709 57.9112 39.4507 176.8051 85 K 4.5591 9.3885 124.9450 54.1507 33.9346 174.0661 86 F 4.4471 8.9576 120.6127 57.9845 39.8627 174.6199 87 K 4.5065 7.4769 127.2225 54.2480 34.1988 176.8778 88 Q 3.8434 9.0604 123.4758 59.0471 28.6582 177.7201 89 E 3.8832 8.2091 120.0812 60.0643 29.4002 179.3161 90 Q 3.9755 7.7393 116.1620 59.1379 29.1203 176.5047 91 P 4.3607 0.0000 0.0000 65.4452 31.2629 178.7535 92 T 4.2324 8.5064 114.9595 66.4021 68.3152 177.0263 93 V 3.6065 8.0257 120.3399 65.8135 31.6358 177.7850 94 W 4.2159 8.5161 128.0432 60.5471 30.4970 177.8951 95 L 3.5451 8.2640 118.7677 57.8100 41.0131 179.3449 96 E 3.9578 8.4330 118.7109 59.4240 29.3076 179.3218 97 E 3.8551 8.3941 118.9088 59.1659 29.4469 179.5490 98 K 3.1856 7.3984 117.9335 59.1471 31.9530 179.3643 99 I 3.5002 7.7850 120.3456 64.3955 37.0485 178.1009 100 D 4.2496 8.1518 119.9108 57.3826 40.7982 178.4914 101 N 4.1572 7.8999 117.3115 57.0267 38.6052 176.6021 102 Y 4.0419 7.7753 118.4211 61.1231 37.6109 178.4600 103 T 3.9255 8.1397 119.1200 67.1862 68.5782 177.0892 104 Q 4.1077 7.8676 121.8364 60.1797 28.2226 180.5385 105 V 3.8912 7.4095 118.8206 64.1964 31.7652 176.8192 106 V 3.9665 6.5074 110.5915 59.1492 32.6244 174.0223 107 P 4.3035 0.0000 0.0000 62.3928 31.5959 176.7245 108 A 4.1672 8.5664 126.2412 52.2791 18.9916 176.9915 109 V 4.5827 8.2994 117.0860 60.2157 34.9689 176.7005 110 K 4.4391 8.6315 123.0892 55.4572 32.5365 176.5414 111 K 4.8855 7.7425 115.1374 54.7892 34.4292 176.5501 112 F 4.8064 8.4215 121.2145 58.3445 40.0082 174.5518 113 I 5.1170 8.7247 114.9444 58.9760 40.0244 175.2638 114 L 4.2031 8.8891 125.2160 54.2842 42.1718 175.6519 115 P 4.0322 0.0000 0.0000 63.1330 30.8155 175.5489 116 G 4.2332 8.2460 112.4053 45.4282 0.0000 169.9904 117 G 4.1559 8.6570 107.7867 44.6308 0.0000 177.8544 118 T 4.1213 9.5223 118.4875 60.8974 70.3631 174.4698 119 Q 3.9661 8.4734 121.7862 59.2365 28.9996 178.0524 120 L 3.9098 7.8517 120.6447 58.0873 42.2597 178.4884 121 A 3.9663 8.2411 120.9937 55.3650 18.3161 179.8201 122 S 4.1573 8.5560 113.7363 61.7655 62.8714 176.7834 123 A 4.5181 8.4935 123.7346 55.3340 18.0326 179.7232 124 L 4.0409 8.3162 117.8665 58.1914 41.6741 179.4093 125 H 4.2436 8.4729 116.4368 58.6869 28.5268 177.9360 126 V 3.3521 8.1763 120.1229 65.8241 31.2047 177.8284 127 A 3.7979 8.3839 120.8601 54.9954 18.1790 179.2712 128 R 4.0670 8.1310 117.7564 60.2104 30.1443 178.8345 129 T 4.0127 7.9545 109.0937 64.6021 68.8559 176.8114 130 I 3.6679 7.9477 123.1387 64.2837 37.0142 178.3217 131 T 3.9633 8.3004 117.1425 66.9164 68.3568 176.8491 132 R 4.0280 8.0005 119.5749 58.9845 30.1268 179.1294 133 R 3.8387 8.2038 118.4932 59.3779 30.0406 178.4011 134 A 3.9967 8.3808 121.0183 55.1277 18.2930 179.0727 135 E 3.8751 8.6433 118.2160 59.5579 29.5844 179.2192 136 R 3.9134 8.0945 117.9449 59.4513 30.1379 179.0157 137 Q 3.9799 7.9929 117.4126 59.0759 28.6281 178.9675 138 I 3.7261 8.0580 121.0711 64.4309 37.1170 178.7231 139 V 3.5804 8.0780 119.2606 65.7609 31.1049 177.6826 140 Q 3.9330 8.1097 118.8652 59.1324 29.0864 178.0438 141 L 4.0928 8.0104 121.0451 58.5898 42.4102 178.7055 142 M 4.1911 8.2616 118.2203 58.5580 31.9279 177.9301 143 R 4.0245 7.9446 116.6823 57.7050 30.4060 176.8528 144 E 4.6294 8.2085 116.8341 56.4989 31.7508 175.8559 145 E 4.7962 7.4264 113.7070 54.3238 33.7426 174.9176 146 Q 4.2186 8.6913 120.8665 55.8278 29.3031 175.7796 147 I 4.5835 8.0561 115.0973 58.4687 40.8501 174.9426 148 N 4.2122 7.7705 118.8455 52.7740 37.6944 175.3380 149 Q 4.1133 8.5470 126.1367 58.6157 28.7603 178.2748 150 D 4.5137 8.4045 120.4219 57.2400 40.6779 178.8348 151 V 3.5569 8.0249 118.9922 65.7624 31.4414 177.8067 152 L 3.9734 7.9185 119.6024 58.1766 41.9998 178.6803 153 I 3.7387 7.8315 119.7378 64.5100 37.0428 178.1635 154 F 4.2423 8.4077 121.2503 61.5475 39.0655 177.2650 155 I 3.6213 8.0544 118.5813 64.0211 37.0009 177.5942 156 N 4.4852 8.5419 118.4704 56.9349 38.8233 176.8843 157 R 3.8411 8.0606 119.9285 59.2873 30.0170 178.0836 158 L 3.6660 7.9506 120.8456 58.0132 41.9516 179.1716 159 S 4.4205 7.9493 114.3599 61.3881 62.9868 176.2676 160 D 4.4241 8.0984 122.2845 57.2084 40.6409 177.5972 161 Y 3.9056 8.0848 120.1417 60.9281 38.6572 178.4886 162 F 4.3976 8.3824 118.6400 60.2610 38.9471 177.4003 163 F 4.0461 8.4738 120.2362 61.3379 39.2123 177.0355 164 A 3.8683 8.2321 120.0978 55.1703 18.1894 179.5053 165 A 3.7369 8.1997 119.3922 54.9327 18.3181 179.7543 166 A 3.8434 8.0655 119.6566 55.3802 18.3640 180.0961 167 R 3.7507 7.5972 116.5837 59.4670 29.9855 178.6920 168 Y 4.0511 8.0876 119.2194 60.4489 38.3279 177.8570 169 A 3.7722 8.3656 122.1780 55.1701 18.3988 179.3216 170 N 4.2794 8.0715 114.9399 56.6350 38.6352 176.8737 171 Y 4.0140 8.1607 120.9488 60.8434 38.6256 178.3182 172 L 3.7896 7.9949 118.7144 56.5460 41.6854 178.1784 173 E 4.3218 7.3295 114.8207 54.6856 30.3522 175.4915 174 Q 3.2638 7.6166 116.9337 56.7765 26.8978 173.6044 175 Q 4.3874 8.0395 118.7887 53.7566 30.0629 173.2583 176 P 4.4999 0.0000 0.0000 62.5065 32.2993 175.8360 177 D 4.6865 8.4753 120.1597 54.7989 41.9697 175.3229 178 M 4.7758 8.5382 119.8913 53.7387 34.8561 175.2327 179 L 4.9619 8.4357 122.0943 53.6467 43.7630 176.0775 180 Y 4.4298 9.1229 124.5511 57.6487 39.0415 177.4200 181 R 3.9254 8.8392 124.2010 58.4784 29.8870 176.9885 182 N 4.5413 6.2896 113.7889 52.4863 38.8743 174.6117 183 S 4.1633 6.9647 116.1225 58.7120 62.8622 174.9676 184 K 4.2153 8.2295 128.2991 53.4964 32.6062 175.1566 185 D 4.6280 8.3083 116.7456 55.6978 40.0700 176.8045 186 V 3.8512 8.0164 118.2089 60.9995 33.3038 176.3162 187 F 4.7803 7.7319 120.7964 56.7300 39.1699 176.5402 188 R 4.2747 8.4161 123.3922 56.3198 30.3337 171.5211 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 *1 V 8.05 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 2 K 8.14 4.19 0.00 1.49 0.93 0.00 1.29 0.00 0.00 0.93 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.07 1.27 7.81 3 I 8.24 3.79 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 0.94 0.00 0.00 4 Y 7.04 4.54 0.00 3.05 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 5 T 8.48 4.02 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 1.20 0.00 0.00 6 K 8.34 4.04 0.00 2.07 2.22 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.60 7.81 7 N 8.19 4.44 0.00 2.75 2.89 0.00 0.00 6.86 7.58 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 8 G 8.01 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 0.00 0.00 0.00 9 D 8.12 4.50 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 10 K 8.17 4.37 0.00 1.99 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 0.97 7.81 11 G 8.49 4.09 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 0.00 0.00 0.00 12 Q 7.75 5.12 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.73 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 13 T 8.65 4.92 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 1.31 0.00 0.00 14 R 8.62 4.77 0.00 1.76 1.85 0.00 3.62 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 15 I 7.94 4.45 2.10 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 1.52 0.62 1.09 0.00 0.00 16 I 7.54 3.64 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.62 0.00 0.00 17 G 8.43 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 0.00 0.00 0.00 18 K 8.38 4.20 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 19 Q 7.95 4.39 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 20 I 8.23 5.07 1.88 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 1.30 0.56 0.90 0.00 0.00 21 L 8.67 4.92 0.00 1.60 1.59 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.48 4.61 0.00 2.93 2.98 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 23 K 9.06 3.97 0.00 1.79 1.89 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.56 7.81 24 N 8.08 4.65 0.00 2.79 2.89 0.00 0.00 5.97 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 25 D 8.12 4.48 0.00 2.91 2.64 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 26 P 0.00 4.20 0.00 2.31 2.30 0.00 3.78 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 2.10 2.33 0.00 27 R 8.68 3.89 0.00 1.96 2.11 0.00 3.26 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 28 V 7.68 2.58 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 0.86 0.00 0.00 0.93 0.00 0.00 29 A 8.14 3.83 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 30 A 7.85 3.90 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.92 4.37 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 3.96 0.00 2.11 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 0.00 2.58 2.44 0.00 34 V 7.83 3.60 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 1.07 0.00 0.00 1.01 0.00 0.00 35 D 8.27 4.19 0.00 2.97 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 36 E 8.44 3.93 0.00 2.07 2.11 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 2.34 2.36 0.00 37 L 8.23 4.03 0.00 1.85 1.93 1.05 0.98 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 38 N 8.48 4.38 0.00 2.90 2.84 0.00 0.00 7.28 8.22 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 39 S 8.43 4.18 0.00 4.13 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 40 W 8.57 3.97 0.00 3.52 3.25 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 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0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 116 G 8.25 4.23 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 0.00 117 G 8.66 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 0.00 0.00 0.00 118 T 9.52 4.12 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 1.26 0.00 0.00 119 Q 8.47 3.97 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 120 L 7.85 3.91 0.00 1.76 1.61 0.90 1.04 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 0.00 121 A 8.24 3.97 1.39 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 0.00 0.00 0.00 122 S 8.56 4.16 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.49 4.52 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.32 4.04 0.00 1.86 1.79 0.99 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.47 4.24 0.00 3.39 3.36 0.00 5.62 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 0.00 126 V 8.18 3.35 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 -0.36 0.00 0.00 0.84 0.00 0.00 127 A 8.38 3.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.13 4.07 0.00 2.15 2.22 0.00 3.39 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 129 T 7.95 4.01 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 1.22 0.00 0.00 130 I 7.95 3.67 1.75 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.88 0.00 0.00 131 T 8.30 3.96 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 132 R 8.00 4.03 0.00 2.03 1.98 0.00 3.19 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 133 R 8.20 3.84 0.00 1.84 2.04 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 134 A 8.38 4.00 1.39 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 0.00 0.00 0.00 135 E 8.64 3.88 0.00 2.13 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 0.00 2.32 2.38 0.00 136 R 8.09 3.91 0.00 2.05 1.96 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 137 Q 7.99 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 138 I 8.06 3.73 2.04 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 1.43 0.84 0.93 0.00 0.00 139 V 8.08 3.58 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 1.00 0.00 0.00 0.96 0.00 0.00 140 Q 8.11 3.93 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 141 L 8.01 4.09 0.00 1.83 1.85 0.99 0.83 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 0.00 142 M 8.26 4.19 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 143 R 7.94 4.02 0.00 2.00 1.98 0.00 3.17 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 144 E 8.21 4.63 0.00 2.06 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 2.25 2.25 0.00 145 E 7.43 4.80 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 146 Q 8.69 4.22 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 147 I 8.06 4.58 1.84 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 1.33 0.67 1.02 0.00 0.00 148 N 7.77 4.21 0.00 1.44 2.17 0.00 0.00 6.87 7.13 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 0.00 149 Q 8.55 4.11 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 150 D 8.40 4.51 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.02 3.56 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 1.01 0.00 0.00 0.77 0.00 0.00 152 L 7.92 3.97 0.00 1.82 1.86 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.83 3.74 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 1.01 0.00 0.00 154 F 8.41 4.24 0.00 3.50 3.33 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 0.00 155 I 8.05 3.62 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.97 0.95 0.00 0.00 156 N 8.54 4.49 0.00 3.01 3.00 0.00 0.00 6.80 7.19 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 0.00 157 R 8.06 3.84 0.00 2.06 1.87 0.00 3.19 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 158 L 7.95 3.67 0.00 1.17 1.61 0.40 0.90 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 0.00 159 S 7.95 4.42 0.00 4.28 4.23 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 0.00 160 D 8.10 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 0.00 161 Y 8.08 3.91 0.00 2.90 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 0.00 162 F 8.38 4.40 0.00 3.22 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 0.00 163 F 8.47 4.05 0.00 3.21 3.25 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 0.00 164 A 8.23 3.87 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 0.00 165 A 8.20 3.74 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 0.00 166 A 8.07 3.84 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 0.00 167 R 7.60 3.75 0.00 1.81 1.86 0.00 2.82 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.00 168 Y 8.09 4.05 0.00 2.61 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 0.00 169 A 8.37 3.77 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 0.00 170 N 8.07 4.28 0.00 2.90 3.12 0.00 0.00 6.68 7.64 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 0.00 171 Y 8.16 4.01 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.99 3.79 0.00 1.56 1.68 0.43 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.33 4.32 0.00 1.84 1.79 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 2.01 2.18 0.00 174 Q 7.62 3.26 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 175 Q 8.04 4.39 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 176 P 0.00 4.50 0.00 2.23 2.04 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 177 D 8.48 4.69 0.00 2.63 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 0.00 178 M 8.54 4.78 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 179 L 8.44 4.96 0.00 1.59 1.67 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 9.12 4.43 0.00 3.01 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 0.00 181 R 8.84 3.93 0.00 1.91 2.06 0.00 3.06 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 182 N 6.29 4.54 0.00 2.27 2.67 0.00 0.00 6.86 7.57 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 0.00 183 S 6.96 4.16 0.00 4.09 3.73 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 0.00 184 K 8.23 4.22 0.00 1.82 1.60 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.03 7.81 185 D 8.31 4.63 0.00 2.60 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 0.00 186 V 8.02 3.85 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 0.25 0.00 0.00 -1.03 0.00 0.00 187 F 7.73 4.78 0.00 3.01 2.84 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 0.00 188 R 8.42 4.27 0.00 1.76 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.