NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2291 8.3449 121.7129 55.9766 29.2497 173.7873 2 N 4.6107 7.9787 116.9360 50.2144 38.4230 171.4809 3 L 4.7193 7.8466 121.0599 51.8195 45.5226 174.9673 4 P 4.4701 0.0000 0.0000 61.8557 32.3162 175.6408 5 Q 4.2256 8.5381 120.8582 56.6920 29.1920 175.3334 6 R 4.9735 8.6729 125.5492 54.6538 34.3015 174.7164 7 Y 5.0713 9.1873 118.3017 56.4933 42.0910 174.3493 8 I 4.8073 8.6872 124.9760 59.6710 39.8881 174.6364 9 E 4.7751 9.1088 127.4305 55.1026 30.5041 174.5851 10 L 4.9884 9.2183 128.4272 53.3914 44.4947 175.5282 11 V 5.2398 8.2525 124.7813 59.2233 34.0097 174.6371 12 V 4.7673 8.3815 119.1317 59.6722 33.9775 175.0034 13 V 4.7906 8.7146 125.1891 61.1275 33.8697 173.9136 14 A 5.0700 8.8033 130.8575 50.5593 20.9882 176.9487 15 D 4.8013 8.7137 123.7452 53.0420 42.2086 176.7937 16 H 4.3358 9.2075 118.0071 59.5259 29.4695 177.4779 17 R 4.0264 8.0694 118.7529 58.7451 30.0400 178.8153 18 V 3.8389 8.1573 118.4728 65.8273 31.7634 177.4408 19 F 4.3200 8.1861 120.5317 62.0360 39.0094 177.1642 20 M 3.7833 8.1069 117.8066 58.2118 31.5398 178.6826 21 K 3.7960 7.6153 118.6464 58.6971 32.3379 177.1611 22 Y 4.5015 7.6955 115.8897 57.2244 39.1134 175.1750 23 N 3.9227 8.2977 114.1550 54.6555 36.5958 175.6075 24 S 2.7900 7.5345 110.4325 58.5965 61.5269 171.5110 25 D 4.5715 7.5582 121.8881 53.4312 41.0198 176.9522 26 L 4.1158 8.6351 127.9481 57.9333 41.7359 179.0717 27 N 4.3547 8.1591 115.7339 56.0843 38.5602 177.4812 28 T 3.9051 7.6299 117.7868 66.5628 68.6290 176.9917 29 I 3.4325 7.5492 121.2337 64.0878 37.0586 178.5475 30 R 3.8796 8.1592 119.0780 59.6240 29.9385 179.1329 31 T 3.8166 7.5936 114.9224 66.6875 68.3911 176.6178 32 R 3.8646 7.6926 119.4446 59.4230 30.0676 179.0911 33 V 3.5666 7.6579 117.6277 66.5530 31.3593 177.7644 34 H 4.0357 8.5570 116.0030 58.9015 28.5011 177.7103 35 E 4.2020 8.3496 121.7720 58.8675 29.3202 179.3730 36 I 3.8346 8.0133 120.0038 64.5946 37.2560 178.7250 37 V 3.6615 8.0745 118.9804 65.8392 31.1712 177.8826 38 N 4.2456 7.8006 116.5736 56.2299 38.4394 177.3950 39 F 3.8015 8.0353 119.2182 60.1432 38.9106 177.6686 40 I 3.9222 7.9051 119.5054 64.6556 37.1203 177.7801 41 N 4.4485 8.2407 117.1981 56.7598 38.2624 177.6653 42 G 3.6966 7.5231 104.6273 47.8213 0.0000 175.3940 43 F 4.8210 7.6158 119.0511 60.5080 39.4280 176.6002 44 Y 4.4730 8.4939 114.1925 58.2920 37.7121 177.4494 45 R 4.0067 7.7833 120.2025 59.5171 30.1254 179.0336 46 S 4.2400 8.1852 110.7045 60.5279 63.1471 174.7546 47 L 4.2979 7.7652 119.0916 54.2991 42.2596 175.7235 48 N 4.2685 8.2951 116.8932 54.7970 37.6170 172.7625 49 I 4.9047 7.6146 115.7758 59.1800 40.0704 174.8849 50 H 4.8995 8.4127 125.7784 54.3778 32.3469 172.3775 51 V 4.4980 8.8306 127.0904 61.6883 32.4841 174.8282 52 S 4.6648 8.9268 123.2471 56.2965 65.0992 172.5831 53 L 4.7983 8.5070 129.6811 54.5939 41.4219 175.8101 54 T 4.2885 8.7287 118.5079 64.1709 70.0892 174.7362 55 D 4.7005 7.6783 118.8841 52.8144 44.9111 173.9203 56 L 5.0593 8.4727 125.3857 53.3208 44.8794 174.8748 57 E 4.6036 9.0268 127.9485 54.5910 31.8397 174.3674 58 I 4.6456 8.2515 128.1470 59.1142 38.6654 177.2052 *59 W 4.3239 8.1713 130.7491 55.5497 25.3514 176.6957 60 S 2.7900 7.6118 116.1616 60.1613 62.5236 175.3412 61 N 4.4607 7.1114 119.2356 53.8833 39.3978 173.7170 62 E 4.6028 7.3567 116.9950 54.0489 33.2776 175.0980 63 D 4.4722 8.4796 120.6652 54.6524 41.2800 177.0251 64 Q 4.1395 8.7817 123.6195 57.6883 29.1228 175.6449 65 I 4.5393 7.4016 108.9915 58.5221 40.6435 174.6062 66 N 4.5021 8.4722 119.2814 52.2919 37.7324 174.4367 67 I 3.9033 8.2042 127.4099 61.2340 37.0211 175.9459 68 Q 4.6999 8.0824 124.2541 53.6683 31.4293 176.3598 69 S 4.0991 8.4219 112.8596 60.9166 63.6442 173.6964 70 A 4.4273 7.9073 123.3208 51.3030 18.3535 177.4756 71 S 4.0744 8.7445 120.0794 63.0116 62.8239 177.0002 72 S 4.1353 8.0403 118.0654 61.0622 62.5626 176.2947 73 D 4.3930 8.0021 121.3925 57.6484 40.6457 178.7367 74 T 3.9939 8.0296 116.3426 66.2457 68.5099 176.6148 75 L 4.0513 8.3051 122.8591 58.1701 41.9731 178.8033 76 N 4.3286 8.1755 116.1475 56.4382 38.4208 177.3140 77 A 4.0347 8.0590 122.1394 55.1528 18.4521 179.4896 78 F 4.3145 8.7693 119.3344 61.1181 39.3963 177.3979 79 A 3.8172 7.9784 120.4344 55.0948 18.2163 179.4291 80 E 3.8869 7.8732 117.2888 59.2953 29.5239 179.4913 *81 W 3.8942 7.7833 128.3937 59.9646 30.4018 177.9818 82 R 3.6380 7.6896 118.7584 59.3093 29.2729 177.8611 83 E 3.8533 7.7488 117.7461 59.4279 29.8152 178.3373 84 T 4.3300 7.6311 105.9609 62.3893 69.5198 173.6144 85 D 4.6328 8.2021 119.5862 55.4049 43.5867 177.1637 86 L 3.9524 7.8372 119.4703 58.1136 42.0886 178.6187 87 L 4.6619 8.1911 119.9749 56.7028 42.1223 177.8225 88 N 4.4640 8.1191 116.0012 55.9905 39.0253 176.0063 89 R 4.3756 7.5810 118.2502 56.1857 31.7161 176.6983 90 K 4.5353 8.2180 118.6511 54.2520 34.1783 175.3646 91 S 4.6499 8.6780 119.1688 58.0200 62.8547 172.6734 92 H 4.8739 8.1664 121.2477 54.7608 30.8757 173.2227 93 D 4.6171 8.7856 121.0472 56.7899 41.5696 176.3955 94 N 5.3722 8.3711 115.2690 51.7952 43.2894 173.0187 95 A 5.2687 8.9380 125.5256 50.3884 22.2399 174.8632 96 Q 5.2224 9.0232 121.7047 54.0326 32.2477 174.3958 97 L 4.5322 8.5651 125.5767 53.2278 44.3746 174.9966 98 L 4.8560 9.1470 129.8386 54.2785 42.4297 174.7939 99 T 5.4879 8.9451 120.6699 59.2102 70.0717 174.3011 100 A 4.7271 8.6359 127.4488 51.7761 19.6929 176.2831 101 I 3.9279 7.2838 118.3127 61.4299 38.5572 176.1848 102 E 4.1650 8.4572 127.5815 54.8827 27.9693 175.3734 103 L 4.1703 8.8075 125.6602 56.2057 43.2817 178.4707 104 D 3.6104 8.8202 117.2609 54.1882 41.6968 177.2473 105 E 4.3013 8.9454 121.9946 57.3054 30.6363 176.8643 106 E 3.7473 7.5239 110.9870 58.5887 28.0310 175.7362 107 T 4.2837 7.8487 113.9331 63.0486 69.8956 175.1974 108 L 4.5566 8.6917 124.3854 53.2883 42.3542 175.9318 109 G 4.5454 7.2498 109.2967 46.5355 0.0000 172.2866 110 L 4.8082 8.3128 122.2484 53.8648 46.0507 173.9094 111 A 5.0758 8.3015 126.2491 49.9740 22.1065 174.3241 112 P 4.3121 0.0000 0.0000 62.2685 32.3138 175.7001 113 L 4.2914 8.3011 122.3745 55.4659 42.7927 176.7031 114 G 3.7520 8.6181 115.5919 47.5410 0.0000 174.0094 115 T 4.3458 7.4386 105.6366 60.8018 69.5158 173.2534 116 M 4.1279 7.8482 122.3795 57.9067 32.4602 175.6008 117 C 4.0102 9.1863 122.4100 57.1400 36.7893 172.2637 118 D 4.9188 7.8180 120.2799 52.2988 41.8577 175.2802 119 P 4.1970 0.0000 0.0000 65.5697 31.6720 177.4215 120 K 4.1116 8.1864 117.0172 58.7756 32.4689 177.2291 121 L 4.3549 7.9177 115.1054 55.1185 42.4331 177.9263 122 S 4.5821 7.9954 116.7499 57.0334 60.4260 171.4041 123 I 5.7337 6.3585 115.3663 59.3099 41.6179 175.5087 124 G 4.2910 8.3609 105.5376 45.5654 0.0000 172.3670 125 I 4.9110 8.6362 116.1927 58.6945 40.3924 174.4343 126 V 4.6025 9.0352 126.5490 60.9586 34.2201 173.8258 127 Q 4.8068 8.3817 128.7112 55.0638 30.3446 175.5074 128 D 4.7953 9.1922 127.3623 53.7768 39.8091 175.1952 129 H 4.8934 8.5515 116.9217 54.7006 30.0221 174.6945 130 S 4.5345 7.4205 114.3839 56.4240 65.0543 171.6788 131 P 4.4400 0.0000 0.0000 63.6299 31.5297 175.8713 132 I 4.2511 7.5273 121.9135 59.9207 37.4309 176.1859 133 N 4.3675 8.7196 124.3029 55.4840 38.2755 177.0128 134 L 3.0110 7.3473 121.7934 57.6908 42.5795 178.3736 135 L 3.8697 7.5266 117.7065 56.9832 41.4114 178.8503 136 M 4.2877 7.7943 118.5408 57.2662 32.2842 178.5588 137 G 3.6583 7.6828 106.3771 47.7552 0.0000 176.2530 138 V 3.4611 7.8936 121.9176 64.5398 31.2250 178.6668 139 T 3.7742 7.3023 115.3197 66.8216 68.3332 176.4117 140 M 4.1334 8.3822 119.9440 58.4290 32.2272 178.0731 141 A 4.3329 8.5495 121.5517 55.0330 18.6338 179.1942 142 H 4.0131 8.4497 117.3396 59.6487 29.9089 177.4120 143 E 4.1133 8.2638 120.3980 59.4725 29.1460 179.4230 144 L 4.4259 7.8897 120.7226 57.1273 41.7270 179.7013 145 G 3.6925 8.2153 105.8620 48.2387 0.0000 175.4797 146 H 4.4249 7.9824 119.5457 58.1647 28.3069 177.6404 147 N 4.3168 7.9087 118.2267 56.0297 38.5375 176.0041 148 L 3.3738 7.2854 116.6177 54.3129 41.5448 177.0901 149 G 3.7246 7.5508 104.7850 46.4672 0.0000 173.6140 150 M 3.9962 7.5752 119.9544 53.7619 32.6770 176.5232 151 E 3.9629 6.2857 123.2985 54.9937 31.1639 175.1695 152 H 4.8209 8.1809 117.2808 56.5122 29.8736 174.5686 153 D 5.1387 8.5005 120.1093 52.9121 43.4609 176.6502 154 G 4.0419 8.5827 106.5500 45.9144 0.0000 174.6468 155 K 4.2277 8.6801 119.3680 59.1219 32.9183 176.9479 156 D 4.7728 7.7602 117.8535 54.0324 41.9773 176.1709 157 C 4.5639 8.0485 117.9631 55.6140 44.4210 172.0436 158 L 5.0854 8.1323 125.3863 53.3541 45.3944 176.2274 159 R 4.4523 8.6240 121.8032 54.5941 31.3376 176.3620 160 G 4.0421 8.1728 116.6797 45.8290 0.0000 173.7629 161 A 4.3979 8.5710 127.6783 52.2628 19.7119 177.9509 162 S 4.6165 7.4451 112.7580 57.4545 64.5594 173.4022 163 L 4.5565 8.1791 123.2196 53.6693 43.1014 175.7172 164 C 4.7832 8.1426 120.7789 57.1167 37.4284 174.3852 165 I 3.4299 8.6600 125.3576 64.4917 36.9415 177.0764 166 M 4.3982 7.8451 118.7909 55.5138 31.9561 176.4471 167 R 4.4131 7.3159 117.5470 55.6336 30.7707 175.4786 168 P 4.0338 0.0000 0.0000 64.2584 31.6765 176.9256 169 G 4.0758 7.6859 104.6884 43.2477 0.0000 171.6677 170 L 4.4273 8.2383 121.6051 53.6558 42.6356 175.7625 171 T 4.6580 8.2376 122.6944 61.4317 70.7824 174.4884 172 K 4.3102 8.5557 125.0584 56.5344 32.8550 176.6366 173 G 3.9176 8.1870 109.9030 45.4604 0.0000 172.3426 174 R 4.6154 8.3624 115.5204 55.3358 32.1234 175.8611 175 S 4.8404 7.6528 112.8611 56.5933 65.6198 172.6514 176 Y 4.9864 8.7956 121.3712 56.2257 41.3441 174.4852 177 E 4.6205 9.0416 121.4720 54.8826 34.8465 174.3311 178 F 4.8219 8.5799 120.1245 57.0337 40.2241 176.1708 179 S 4.5859 8.7056 116.9132 57.2747 64.6801 174.6401 180 D 4.4452 8.5920 119.4843 57.3836 40.7709 178.0780 181 D 4.2811 8.0904 119.2683 57.3249 40.9163 178.4928 182 S 4.3968 7.9383 115.3847 62.0639 62.9325 176.3727 183 M 4.0637 8.1696 120.7085 59.1877 31.9647 177.9786 184 H 4.2276 8.2012 115.9820 58.7947 28.8588 177.3453 185 Y 4.2396 8.4726 119.1609 61.1724 37.5849 177.9411 186 Y 4.4753 8.4725 120.6837 60.5621 38.7340 177.3429 187 E 3.6853 8.2911 119.6168 59.4319 29.6033 179.4365 188 R 3.8879 7.8830 118.0922 59.1847 30.1575 178.1081 189 F 4.1058 8.0855 120.1723 61.4827 39.5375 176.7203 190 L 3.7747 8.0674 119.8703 58.0821 41.4772 178.8745 191 K 4.0622 7.3883 117.0797 58.9313 32.2868 178.0773 192 Q 4.1078 8.3448 120.1825 58.7441 29.1128 176.7907 193 Y 3.9450 8.1321 122.6767 57.7281 40.4472 175.6272 194 K 4.0752 7.9427 118.0297 54.6466 30.1276 171.9315 195 P 4.3528 0.0000 0.0000 63.3973 31.9205 177.3375 196 Q 4.2459 8.6580 121.7581 57.8645 29.2861 175.9642 197 C 4.5204 8.2337 111.1503 57.0154 40.0678 173.7049 198 I 4.9834 7.6440 113.5172 60.3926 37.6798 177.0748 199 L 4.6373 7.9341 122.7366 56.3889 42.9883 177.0125 200 N 4.3824 8.0325 116.4060 52.0182 37.8279 174.4649 201 K 2.9055 8.2104 124.4545 54.9278 32.6272 174.6984 202 P 4.3731 0.0000 0.0000 62.8592 31.2120 176.2148 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 Q 8.34 4.23 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 2 N 7.98 4.61 0.00 2.78 2.75 0.00 0.00 7.01 6.97 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 3 L 7.85 4.72 0.00 1.65 1.68 1.07 1.23 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 4 P 0.00 4.47 0.00 2.20 2.06 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 5 Q 8.54 4.23 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.83 0.00 0.00 0.00 0.00 0.00 2.32 1.88 0.00 6 R 8.67 4.97 0.00 1.81 1.85 0.00 3.54 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 7 Y 9.19 5.07 0.00 3.00 2.82 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 8 I 8.69 4.81 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.89 0.00 0.00 9 E 9.11 4.78 0.00 1.99 1.94 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 2.29 2.37 0.00 10 L 9.22 4.99 0.00 1.71 1.63 1.01 0.91 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 11 V 8.25 5.24 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 0.92 0.00 0.00 0.96 0.00 0.00 12 V 8.38 4.77 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 0.71 0.00 0.00 0.93 0.00 0.00 13 V 8.71 4.79 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 1.05 0.00 0.00 1.10 0.00 0.00 14 A 8.80 5.07 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 15 D 8.71 4.80 0.00 3.11 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 16 H 9.21 4.34 0.00 3.36 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.07 4.03 0.00 2.16 2.00 0.00 3.28 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 18 V 8.16 3.84 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.12 0.00 0.00 19 F 8.19 4.32 0.00 3.13 3.18 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 20 M 8.11 3.78 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.48 0.00 21 K 7.62 3.80 0.00 1.72 1.80 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.82 1.23 7.81 22 Y 7.70 4.50 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.30 3.92 0.00 2.80 2.84 0.00 0.00 6.88 8.86 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 24 S 7.53 2.79 0.00 3.82 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 25 D 7.56 4.57 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.64 4.12 0.00 1.84 1.74 1.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.16 4.35 0.00 2.80 2.86 0.00 0.00 7.18 7.05 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 28 T 7.63 3.91 4.42 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 1.20 0.00 0.00 29 I 7.55 3.43 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.86 0.00 0.00 30 R 8.16 3.88 0.00 1.80 1.93 0.00 3.12 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 31 T 7.59 3.82 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 1.19 0.00 0.00 32 R 7.69 3.86 0.00 1.88 1.88 0.00 3.06 0.00 0.00 2.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 33 V 7.66 3.57 2.31 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 1.09 0.00 0.00 0.93 0.00 0.00 34 H 8.56 4.04 0.00 3.41 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.93 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 0.00 110 L 8.31 4.81 0.00 1.74 1.47 0.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.30 5.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.31 0.00 2.17 2.05 0.00 3.98 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 113 L 8.30 4.29 0.00 1.51 1.54 0.84 0.97 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 0.00 114 G 8.62 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.44 4.35 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 116 M 7.85 4.13 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.71 0.00 117 C 9.19 4.01 0.00 3.39 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.82 4.92 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.20 0.00 2.08 2.11 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 120 K 8.19 4.11 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.49 7.81 121 L 7.92 4.35 0.00 1.82 1.69 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.00 4.58 0.00 4.16 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 0.00 123 I 6.36 5.73 2.14 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 1.27 0.50 0.85 0.00 0.00 124 G 8.36 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 0.00 0.00 0.00 0.00 125 I 8.64 4.91 1.80 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 1.27 0.83 0.87 0.00 0.00 126 V 9.04 4.60 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 0.95 0.00 0.00 0.98 0.00 0.00 127 Q 8.38 4.81 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.02 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 128 D 9.19 4.80 0.00 2.73 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 0.00 129 H 8.55 4.89 0.00 3.22 3.35 0.00 5.76 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 0.00 130 S 7.42 4.53 0.00 3.71 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 0.00 131 P 0.00 4.44 0.00 2.23 2.15 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 132 I 7.53 4.25 1.81 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 1.28 1.42 0.84 0.00 0.00 133 N 8.72 4.37 0.00 2.82 3.01 0.00 0.00 6.73 6.74 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 0.00 134 L 7.35 3.01 0.00 1.10 1.36 0.62 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.53 3.87 0.00 1.60 1.63 0.92 1.40 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 0.00 136 M 7.79 4.29 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 137 G 7.68 3.66 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 0.00 0.00 0.00 138 V 7.89 3.46 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 0.46 0.00 0.00 0.29 0.00 0.00 139 T 7.30 3.77 4.46 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 1.23 0.00 0.00 140 M 8.38 4.13 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 141 A 8.55 4.33 1.61 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 0.00 142 H 8.45 4.01 0.00 3.34 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.26 4.11 0.00 2.11 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 0.00 2.62 2.55 0.00 144 L 7.89 4.43 0.00 1.93 1.76 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.22 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.98 4.42 0.00 3.37 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.91 4.32 0.00 2.91 2.81 0.00 0.00 6.97 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 0.00 148 L 7.29 3.37 0.00 1.55 1.57 0.73 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.55 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 0.00 150 M 7.58 4.00 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 151 E 6.29 3.96 0.00 1.16 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 2.02 1.79 0.00 152 H 8.18 4.82 0.00 3.06 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.50 5.14 0.00 2.58 2.67 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 0.00 0.00 0.00 0.00 154 G 8.58 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 0.00 0.00 0.00 155 K 8.68 4.23 0.00 1.86 1.95 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 156 D 7.76 4.77 0.00 2.62 2.67 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 0.00 0.00 0.00 0.00 157 C 8.05 4.56 0.00 3.21 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 0.00 158 L 8.13 5.09 0.00 1.59 1.46 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.62 4.45 0.00 1.77 1.74 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 160 G 8.17 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 0.00 0.00 0.00 161 A 8.57 4.40 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 0.00 162 S 7.45 4.62 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 0.00 163 L 8.18 4.56 0.00 1.12 1.46 0.57 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 164 C 8.14 4.78 0.00 2.94 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 0.00 165 I 8.66 3.43 0.83 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 0.49 0.22 0.40 0.00 0.00 166 M 7.85 4.40 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 167 R 7.32 4.41 0.00 1.78 1.84 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 168 P 0.00 4.03 0.00 1.96 1.96 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 169 G 7.69 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 0.00 0.00 0.00 170 L 8.24 4.43 0.00 1.51 1.54 0.88 0.87 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 0.00 171 T 8.24 4.66 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 1.19 0.00 0.00 172 K 8.56 4.31 0.00 1.76 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 173 G 8.19 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.36 4.62 0.00 1.75 1.96 0.00 3.14 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 175 S 7.65 4.84 0.00 3.81 3.93 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 0.00 176 Y 8.80 4.99 0.00 2.26 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 0.00 0.00 0.00 0.00 177 E 9.04 4.62 0.00 1.80 1.78 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 2.30 2.33 0.00 178 F 8.58 4.82 0.00 2.87 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 0.00 179 S 8.71 4.59 0.00 4.06 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 0.00 180 D 8.59 4.45 0.00 2.84 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 0.00 181 D 8.09 4.28 0.00 2.84 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 0.00 182 S 7.94 4.40 0.00 4.19 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 M 8.17 4.06 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 184 H 8.20 4.23 0.00 3.43 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.47 4.24 0.00 3.15 3.17 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 0.00 186 Y 8.47 4.48 0.00 2.99 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 0.00 187 E 8.29 3.69 0.00 2.12 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 2.25 2.26 0.00 188 R 7.88 3.89 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 189 F 8.09 4.11 0.00 3.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.07 3.77 0.00 1.55 1.53 0.98 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.39 4.06 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.57 7.81 192 Q 8.34 4.11 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 193 Y 8.13 3.95 0.00 2.58 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.94 4.08 0.00 1.73 1.60 0.00 1.61 0.00 0.00 2.34 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.23 7.81 195 P 0.00 4.35 0.00 2.40 2.39 0.00 3.64 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 2.10 2.35 0.00 196 Q 8.66 4.25 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 197 C 8.23 4.52 0.00 3.22 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 0.00 198 I 7.64 4.98 2.05 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.41 1.01 0.00 0.00 199 L 7.93 4.64 0.00 1.67 1.81 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 200 N 8.03 4.38 0.00 2.78 2.82 0.00 0.00 5.98 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 0.00 201 K 8.21 2.91 0.00 1.17 1.47 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 0.78 7.81 202 P 0.00 4.37 0.00 2.07 1.94 0.00 3.59 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 2.10 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.