NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.4794 8.1933 116.7618 58.5551 65.5366 171.7788 14 N 4.6127 8.6855 119.0168 51.2860 40.0515 172.8635 15 I 4.7292 9.0591 125.5375 59.2895 40.6961 173.9471 16 L 5.0422 8.9707 130.0691 53.6739 43.8487 174.8922 17 I 4.5728 8.7735 127.9094 59.6838 39.7301 174.7823 18 I 4.2898 8.3458 129.5005 59.5317 38.5244 174.7003 19 N 4.4746 9.1435 128.6678 52.8684 39.5412 175.0760 20 G 3.9640 9.1196 113.5742 45.8312 0.0000 173.3592 21 A 4.2374 7.7832 122.9916 52.5348 18.8477 178.8718 22 K 4.5419 8.3390 120.2460 57.3637 34.4490 175.7573 *30 Q 4.4308 7.5985 118.1482 54.4275 29.7272 173.9552 31 L 4.3164 8.9815 121.9168 55.6070 39.5985 174.6550 32 N 4.4632 8.1085 116.7952 55.9477 38.4592 177.1142 33 D 4.3645 8.0251 120.3330 57.5478 41.0495 178.5302 34 T 4.0546 7.8820 115.7536 66.8378 68.5395 176.5763 35 L 4.2001 8.0018 120.6217 57.7773 41.5275 179.7488 36 T 3.9256 7.8680 115.8106 66.6730 68.3920 176.5489 37 E 3.9657 8.1803 120.4840 59.2376 29.4012 179.5173 38 V 3.5671 8.0178 118.0847 66.0153 31.5386 177.9968 39 A 3.7229 8.0448 120.4437 54.9422 18.2629 178.8713 40 D 4.3216 8.2633 116.7880 57.5814 41.3108 178.9703 41 G 3.5276 8.1338 105.9170 48.0103 0.0000 175.7282 42 T 3.8174 7.9379 118.5654 66.3659 68.5106 176.7232 43 L 3.9553 8.0224 121.0190 57.9486 41.5906 179.9321 44 R 4.6105 7.8284 119.1743 58.8982 29.7409 178.8371 45 D 4.3714 7.9688 117.9357 57.1334 40.8997 178.0808 46 L 4.2459 7.4914 116.8251 55.3488 41.7250 177.7859 47 G 3.8856 8.0459 107.8561 45.2106 0.0000 173.1490 48 H 4.9713 7.9916 116.8359 54.5460 31.4473 173.6782 49 D 5.2562 8.7360 120.1832 53.1931 42.8708 176.2421 50 V 5.2555 8.4241 114.5287 59.7707 35.9140 175.1226 51 R 4.5033 9.0231 122.1063 54.4908 33.5122 174.2518 52 I 4.9288 8.3806 124.9179 59.6110 39.0705 175.4989 53 V 4.4449 8.6193 126.1651 59.8020 34.6784 174.3154 54 R 4.7664 8.5580 123.9902 55.1034 30.4433 176.0030 55 A 4.0099 8.6114 128.9336 53.9300 18.9335 177.8938 56 D 4.5044 7.5534 116.7701 52.2639 39.8740 174.0803 57 S 4.5979 7.3254 114.3046 57.4533 66.7910 175.2809 58 D 4.3326 8.1957 121.7920 52.8893 39.6042 175.1688 59 Y 4.3555 6.6195 120.9547 56.4257 39.6801 175.0625 60 D 5.0464 8.5893 120.3068 53.0393 42.6452 177.4871 61 V 3.6605 8.4936 120.9645 64.6404 31.7114 178.6175 62 K 3.9729 8.1150 117.4620 59.3600 31.8166 179.1264 63 A 4.0576 8.5083 121.1954 55.2046 18.4175 179.5809 64 E 4.0794 8.4296 117.2958 59.4727 29.4858 179.6590 65 V 3.6514 8.1130 118.5786 66.2164 31.5752 178.1816 66 Q 4.1737 8.1079 117.2470 58.8180 28.3742 178.5079 67 N 4.4570 8.0860 117.7127 56.3360 38.3602 177.4356 68 F 4.0145 8.3392 118.0078 60.5631 39.0881 177.4553 69 L 4.2420 8.0620 117.8190 57.4313 41.4479 179.0976 70 W 4.2283 8.1858 127.5977 59.3884 31.1459 176.6876 71 A 3.7864 7.9856 121.0463 52.3087 18.5989 176.6336 72 D 4.6655 8.6731 121.1093 55.2149 43.1157 176.9097 73 V 4.9828 7.3788 117.0058 61.0078 35.6706 174.1259 74 V 4.6332 8.8826 126.8608 61.1537 34.1548 173.9413 75 I 4.7973 8.9244 129.3094 59.5507 39.6216 174.9014 76 W 4.8741 9.0123 127.1608 55.3062 30.2407 174.2623 77 Q 5.2021 8.8867 127.1667 53.6286 29.9837 172.9118 *79 P 4.9142 0.0000 0.0000 62.7953 32.9349 175.8369 80 G 2.8837 8.4731 108.9065 44.9281 0.0000 173.1829 81 W 4.5696 8.6698 127.2793 57.1158 29.9766 177.1087 82 W 4.3357 7.9807 117.9333 56.6675 31.1968 176.0000 *84 G 3.6862 7.5900 106.6497 45.0423 0.0000 171.7005 85 A 4.1401 8.5345 122.3379 51.5331 19.1404 176.3001 86 P 4.2234 0.0000 0.0000 61.6888 32.0023 177.5512 87 W 4.4171 9.0909 118.7829 60.2586 27.7409 178.6460 88 T 3.1563 6.6161 109.9806 64.2405 68.1187 176.6558 89 V 3.6611 7.5689 121.2397 65.5877 31.5652 178.0039 90 K 3.9626 7.9873 119.0514 59.1691 32.0468 178.6230 91 K 4.1205 8.5681 120.5778 59.4575 32.1065 178.0669 92 Y 4.2341 7.9676 121.0196 60.1553 38.6932 178.4158 93 I 3.1052 7.7976 120.5029 64.3881 35.6270 178.2249 94 D 4.3129 8.3843 120.0438 57.1769 40.6239 178.7411 95 D 4.2762 8.4216 119.8576 57.2525 41.0077 179.0219 96 V 3.4234 7.7953 118.8553 66.0582 31.3518 177.9789 97 F 4.1202 8.0206 116.0633 61.0654 39.0241 177.5627 98 T 4.2078 7.5352 113.6056 66.6475 68.0178 176.4351 99 E 4.1604 8.0374 120.3255 58.9215 29.8768 178.3839 100 G 3.9137 8.3235 103.9233 44.4999 0.0000 172.4735 101 H 3.5132 7.6010 122.2616 57.3160 29.9120 175.2068 102 G 3.9954 8.8644 116.0140 45.5866 0.0000 174.0753 103 T 4.4445 7.4607 105.5740 62.5072 71.8070 174.8356 104 L 4.4202 8.6184 122.0016 55.9876 42.7454 175.9956 105 Y 5.1423 7.3003 113.9657 55.8092 40.5969 175.0444 106 A 4.1141 8.9539 125.5528 53.5977 20.0455 177.8416 107 S 4.8852 7.9683 109.0509 60.1774 67.0110 175.1015 108 D 4.6957 8.0399 119.5462 54.3610 39.2537 173.1529 *117 K 4.3087 8.6463 119.3983 56.7357 33.5629 177.0078 118 K 4.6527 7.0582 113.7492 53.9383 34.4645 174.8660 119 Y 4.0311 8.5183 121.1282 59.9935 38.7992 176.8124 120 G 3.3627 8.1405 114.1856 45.4063 0.0000 173.4747 121 S 4.5113 7.2999 110.6415 57.8594 63.3149 174.3469 122 G 4.0554 6.6880 106.9178 45.6636 0.0000 174.3977 123 G 4.1749 7.9180 106.9155 46.0549 0.0000 174.0962 124 L 4.7846 8.7134 118.9133 53.6325 44.1799 177.7733 125 V 4.4400 7.6293 113.7874 60.2385 32.1997 175.9539 126 Q 5.0179 7.4018 116.2447 56.9175 28.9770 175.5838 127 G 4.0780 8.8146 107.2723 45.3119 0.0000 174.3447 128 K 4.5916 7.4802 117.6182 55.7992 33.3639 176.5352 129 K 5.1717 8.9144 121.3329 55.2813 36.7337 174.6908 130 Y 6.1454 8.1799 117.6999 55.9517 41.7832 173.2192 *132 L 4.6811 8.3640 117.2906 55.1384 43.6134 176.1048 133 S 5.0145 9.2153 118.2115 56.7506 64.8182 172.5635 134 L 5.0843 9.0330 127.7721 52.9680 45.4827 175.7745 135 T 5.0407 8.3739 110.4519 59.9248 71.7919 172.7649 136 W 5.2531 9.1456 124.5685 54.6921 33.9131 174.6864 137 N 4.7477 8.9307 119.9275 53.6537 39.1397 174.0110 138 A 5.1202 8.2852 119.0590 48.2415 22.3193 174.8198 139 P 4.9794 0.0000 0.0000 62.4322 30.0080 179.7843 *141 E 4.7408 9.0674 113.0518 55.9926 30.8146 177.6644 142 A 4.0125 7.9889 122.0646 54.0937 18.8710 179.2435 143 F 4.4594 8.3898 114.3906 59.1451 40.0181 176.0474 144 T 4.4622 7.4873 110.3026 60.5612 70.7373 169.6435 145 E 3.6989 8.6575 127.7392 55.4351 27.3626 175.1781 146 K 3.8653 8.8928 126.0919 59.4528 32.1868 177.4287 147 D 4.4283 7.9699 116.2214 55.0547 39.5942 176.1831 148 Q 4.3357 7.9842 120.0046 54.5620 30.2004 176.4052 149 F 3.9418 8.4330 120.3092 61.6455 39.4169 175.7456 150 F 4.4814 6.9333 117.4945 57.0750 39.4944 175.3979 151 H 4.4463 8.8405 118.7361 56.5082 28.4662 177.1283 152 G 4.2255 8.4828 104.8468 46.4408 0.0000 175.7589 153 V 3.6605 7.4070 112.8985 61.6934 31.8322 177.3807 154 G 3.9692 8.2462 108.0510 45.0894 0.0000 175.0190 155 V 2.9437 7.9475 116.9492 66.0052 31.1126 177.6964 156 D 4.7020 8.0021 116.5589 56.8454 41.0606 178.6202 157 G 3.8549 7.8472 107.7374 47.2855 0.0000 175.8795 158 V 3.6279 7.6131 119.7814 65.2420 31.6108 176.6332 159 Y 4.4393 7.8033 115.0114 57.6468 37.9058 176.8761 160 L 4.1027 7.7358 124.0723 58.1933 42.0993 177.4061 161 P 4.3351 0.0000 0.0000 65.9997 30.5829 178.0234 162 F 3.7994 8.2504 119.8518 61.1471 39.3925 176.7203 163 H 4.4294 8.8895 116.3290 59.0645 28.6114 178.0352 164 K 4.1023 8.7235 120.4042 59.2367 31.5771 179.3056 165 A 3.9630 7.7265 120.6252 55.2076 18.5525 179.1492 166 N 4.4755 7.6066 113.8723 56.4772 38.5448 177.7406 167 Q 4.2247 8.3172 119.1545 58.4106 28.5480 178.3184 168 F 3.9924 8.1116 121.2709 60.6054 39.6921 176.2276 169 L 4.3774 7.8754 116.9333 54.5496 42.9703 176.3363 170 G 4.3205 7.8587 108.6833 45.6488 0.0000 172.1583 *172 E 4.5990 7.7033 118.1353 55.7811 31.7493 175.1839 173 P 4.0459 0.0000 0.0000 62.4154 32.5745 175.0539 174 L 4.7862 7.7923 120.3828 51.8099 45.1395 174.8147 175 P 4.2181 0.0000 0.0000 63.6448 31.6914 176.7090 176 T 4.4070 8.4151 119.6672 63.5229 69.5238 173.5610 177 F 4.7393 9.0682 127.2619 56.3759 42.3411 173.8515 178 I 4.6758 6.7933 124.0322 59.1506 41.3252 173.4504 179 A 4.3090 8.6415 130.9531 50.2513 20.7586 175.6776 180 N 5.1644 8.4809 119.7033 51.3537 41.4043 174.4076 181 D 4.4163 8.3829 118.3231 55.7356 38.6806 176.2860 182 V 3.8294 7.8414 112.4969 63.3336 32.3119 178.9684 183 I 4.0459 7.2787 120.0061 63.3929 37.6659 177.1532 184 K 4.2921 7.8743 116.9693 56.1479 31.7670 174.7630 *186 P 4.4384 0.0000 0.0000 63.1031 32.4287 176.0735 187 D 4.3402 7.9631 114.3741 53.6827 42.2714 172.6705 188 V 4.4654 7.8677 120.9231 59.7257 33.9020 173.2153 189 P 4.1338 0.0000 0.0000 62.5798 31.5449 174.7872 190 R 4.4685 8.4022 124.6087 57.5261 29.2047 177.5695 191 Y 4.5629 7.8456 114.3101 61.2751 37.9806 178.8724 192 T 4.0000 8.0239 116.4627 66.7595 68.6959 176.3269 193 E 4.0235 8.2052 120.7591 59.2137 29.7868 178.4065 194 E 4.1015 8.9888 119.2280 59.4513 29.4830 178.7683 195 Y 3.1634 8.0966 119.7220 60.3308 38.7832 177.6146 196 R 3.6316 7.9827 119.6768 59.2390 30.1346 178.3951 197 K 3.9397 8.2611 119.5570 59.5613 31.6611 178.2382 198 H 4.1062 8.1742 118.5192 59.2731 29.7749 177.2270 199 L 4.1239 8.0617 121.0612 57.7696 41.3674 179.5536 200 V 3.5897 8.0435 118.4713 66.3110 31.2905 178.0122 201 E 3.8994 7.9147 116.3171 58.7376 29.2208 178.8582 202 I 3.8352 6.9349 117.8845 62.9142 37.8775 177.2220 203 F 4.8430 8.4952 115.0809 57.0864 39.3669 176.2123 204 G 3.7727 8.2416 113.9647 45.5787 0.0000 173.6628 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 13 S 8.19 4.48 0.00 3.62 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 14 N 8.69 4.61 0.00 1.58 1.42 0.00 0.00 7.23 6.56 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 15 I 9.06 4.73 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.38 0.66 0.00 0.00 16 L 8.97 5.04 0.00 1.76 1.31 0.41 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.77 4.57 1.80 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 1.15 0.55 0.86 0.00 0.00 18 I 8.35 4.29 1.28 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.27 0.33 0.00 0.00 19 N 9.14 4.47 0.00 2.71 2.73 0.00 0.00 6.69 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 20 G 9.12 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 0.00 0.00 0.00 21 A 7.78 4.24 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 22 K 8.34 4.54 0.00 1.55 1.83 0.00 1.50 0.00 0.00 1.84 0.00 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.70 7.81 *30 Q 7.60 4.43 0.00 2.26 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 31 L 8.98 4.32 0.00 1.88 1.95 1.03 0.57 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 32 N 8.11 4.46 0.00 2.85 2.83 0.00 0.00 7.15 8.08 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 33 D 8.03 4.36 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.88 4.05 4.47 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 1.27 0.00 0.00 35 L 8.00 4.20 0.00 1.68 1.68 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.87 3.93 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 1.19 0.00 0.00 37 E 8.18 3.97 0.00 2.24 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 2.33 2.50 0.00 38 V 8.02 3.57 2.40 0.00 0.00 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 1.10 0.00 0.00 39 A 8.04 3.72 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 40 D 8.26 4.32 0.00 2.80 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 41 G 8.13 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 42 T 7.94 3.82 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 1.13 0.00 0.00 43 L 8.02 3.96 0.00 1.62 1.58 0.50 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.83 4.61 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 45 D 7.97 4.37 0.00 2.81 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 46 L 7.49 4.25 0.00 1.82 1.67 1.00 1.02 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 47 G 8.05 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.99 4.97 0.00 3.15 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.74 5.26 0.00 2.89 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 50 V 8.42 5.26 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 0.68 0.00 0.00 0.99 0.00 0.00 51 R 9.02 4.50 0.00 1.43 1.48 0.00 2.21 0.00 0.00 2.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.64 0.00 52 I 8.38 4.93 1.82 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 1.36 0.78 0.86 0.00 0.00 53 V 8.62 4.44 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.05 0.00 0.00 54 R 8.56 4.77 0.00 1.83 1.89 0.00 3.24 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 55 A 8.61 4.01 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 56 D 7.55 4.50 0.00 2.47 2.56 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 57 S 7.33 4.60 0.00 4.01 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 58 D 8.20 4.33 0.00 2.60 2.59 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 59 Y 6.62 4.36 0.00 3.36 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 60 D 8.59 5.05 0.00 2.86 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 61 V 8.49 3.66 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 0.90 0.00 0.00 1.04 0.00 0.00 62 K 8.11 3.97 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.70 1.53 7.81 63 A 8.51 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.08 0.00 2.07 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 0.00 2.69 2.34 0.00 65 V 8.11 3.65 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 1.05 0.00 0.00 0.94 0.00 0.00 66 Q 8.11 4.17 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 67 N 8.09 4.46 0.00 3.09 2.91 0.00 0.00 6.89 9.28 0.00 0.00 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 F 8.34 4.01 0.00 3.24 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 69 L 8.06 4.24 0.00 1.91 1.82 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.19 4.23 0.00 3.32 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.99 3.79 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 72 D 8.67 4.67 0.00 2.50 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 73 V 7.38 4.98 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 1.11 0.00 0.00 1.02 0.00 0.00 74 V 8.88 4.63 2.12 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 0.17 0.00 0.00 0.43 0.00 0.00 75 I 8.92 4.80 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 1.03 0.00 0.00 76 W 9.01 4.87 0.00 3.35 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 77 Q 8.89 5.20 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.49 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 *79 P 0.00 4.91 0.00 2.25 2.27 0.00 3.24 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.74 0.00 80 G 8.47 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 0.00 0.00 0.00 81 W 8.67 4.57 0.00 3.33 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 82 W 7.98 4.34 0.00 3.39 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 *84 G 7.59 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 85 A 8.53 4.14 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 86 P 0.00 4.22 0.00 1.33 0.49 0.00 3.30 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 1.26 0.74 0.00 87 W 9.09 4.42 0.00 3.69 3.48 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 88 T 6.62 3.16 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 -0.01 0.00 0.00 89 V 7.57 3.66 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 1.18 0.00 0.00 0.83 0.00 0.00 90 K 7.99 3.96 0.00 1.96 2.02 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.72 7.81 91 K 8.57 4.12 0.00 2.25 2.13 0.00 2.13 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.85 1.64 7.81 92 Y 7.97 4.23 0.00 3.23 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 93 I 7.80 3.11 1.62 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.62 -0.15 0.00 0.00 94 D 8.38 4.31 0.00 2.65 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0.00 0.00 0.00 1.38 1.51 7.81 119 Y 8.52 4.03 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.14 3.36 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 0.00 121 S 7.30 4.51 0.00 3.93 3.86 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 0.00 122 G 6.69 4.06 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 0.00 0.00 0.00 123 G 7.92 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 0.00 124 L 8.71 4.78 0.00 1.66 1.68 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.63 4.44 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 0.89 0.00 0.00 1.06 0.00 0.00 126 Q 7.40 5.02 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 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0.80 0.00 0.00 0.99 0.00 0.00 154 G 8.25 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 0.00 155 V 7.95 2.94 1.71 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 0.56 0.00 0.00 -0.18 0.00 0.00 156 D 8.00 4.70 0.00 2.69 2.73 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 0.00 157 G 7.85 3.85 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 0.00 0.00 0.00 158 V 7.61 3.63 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 0.63 0.00 0.00 0.28 0.00 0.00 159 Y 7.80 4.44 0.00 3.14 2.97 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 0.00 160 L 7.74 4.10 0.00 1.93 1.75 0.98 0.77 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 0.00 161 P 0.00 4.34 0.00 2.32 2.33 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 162 F 8.25 3.80 0.00 3.26 3.34 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 0.00 163 H 8.89 4.43 0.00 3.64 3.55 0.00 5.87 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 0.00 164 K 8.72 4.10 0.00 1.93 1.98 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.78 1.70 7.81 165 A 7.73 3.96 1.07 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 0.00 0.00 166 N 7.61 4.48 0.00 2.02 2.13 0.00 0.00 7.04 7.18 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 0.00 167 Q 8.32 4.22 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.66 2.82 0.00 168 F 8.11 3.99 0.00 3.13 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 0.00 169 L 7.88 4.38 0.00 1.91 1.64 0.77 0.15 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 0.00 170 G 7.86 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 0.00 0.00 0.00 0.00 *172 E 7.70 4.60 0.00 2.06 2.18 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 2.48 2.28 0.00 173 P 0.00 4.05 0.00 1.91 1.86 0.00 3.72 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 1.92 2.01 0.00 174 L 7.79 4.79 0.00 1.59 1.48 0.93 0.71 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 0.00 175 P 0.00 4.22 0.00 2.02 2.03 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 176 T 8.42 4.41 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 1.01 0.00 0.00 177 F 9.07 4.74 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 6.79 4.68 1.41 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.84 0.51 0.00 0.00 179 A 8.64 4.31 0.60 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 0.00 0.00 0.00 180 N 8.48 5.16 0.00 2.60 2.95 0.00 0.00 7.40 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 0.00 181 D 8.38 4.42 0.00 2.87 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 0.00 182 V 7.84 3.83 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 0.49 0.00 0.00 0.97 0.00 0.00 183 I 7.28 4.05 1.88 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 1.30 0.53 0.91 0.00 0.00 184 K 7.87 4.29 0.00 1.91 1.84 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *186 P 0.00 4.44 0.00 2.26 2.16 0.00 3.55 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 1.92 1.96 0.00 187 D 7.96 4.34 0.00 2.48 1.80 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 0.00 188 V 7.87 4.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.25 0.00 0.00 189 P 0.00 4.13 0.00 2.06 2.07 0.00 3.72 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 2.05 2.13 0.00 190 R 8.40 4.47 0.00 1.85 2.15 0.00 3.23 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 191 Y 7.85 4.56 0.00 3.17 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 0.00 192 T 8.02 4.00 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 1.26 0.00 0.00 193 E 8.21 4.02 0.00 2.10 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 2.39 2.49 0.00 194 E 8.99 4.10 0.00 2.46 2.42 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 2.48 2.59 0.00 195 Y 8.10 3.16 0.00 2.49 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 0.00 196 R 7.98 3.63 0.00 1.95 2.02 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 197 K 8.26 3.94 0.00 1.98 2.03 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 198 H 8.17 4.11 0.00 3.58 3.42 0.00 5.84 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 0.00 199 L 8.06 4.12 0.00 1.66 1.63 0.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 200 V 8.04 3.59 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 1.10 0.00 0.00 0.93 0.00 0.00 201 E 7.91 3.90 0.00 1.93 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 2.50 2.48 0.00 202 I 6.93 3.84 1.30 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 1.44 0.45 -0.19 0.00 0.00 203 F 8.50 4.84 0.00 3.02 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 0.00 204 G 8.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.