NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 P 4.7519 0.0000 0.0000 63.0356 33.1397 178.3223 0 G 3.7136 8.3095 104.0507 44.9678 0.0000 173.4610 2 D 3.9984 8.9937 118.2664 56.2183 41.5631 173.8869 3 F 4.1204 7.9951 117.9823 61.6609 39.4933 176.9966 4 L 3.6820 7.4889 117.8023 57.6143 41.2511 179.4657 5 R 4.2958 8.2903 116.6932 58.1701 30.0941 177.3391 6 S 4.6572 7.1867 111.9684 57.3237 63.7902 174.0456 7 L 3.5152 6.9137 122.0634 55.7122 41.7711 176.5367 8 D 4.5795 7.9858 121.9903 52.8453 41.6845 175.3783 9 W 4.9890 8.5769 126.6877 55.5484 30.6676 176.1340 10 T 4.4516 8.9662 123.4255 62.0780 69.4613 174.5143 11 Q 4.0238 8.8484 128.8263 55.7848 28.6567 175.6187 12 V 4.0141 7.8436 119.4876 62.3538 32.7114 176.3269 13 I 4.3033 7.0443 117.6643 58.8770 40.6694 173.1983 14 A 4.0811 8.5038 128.0458 53.9706 18.6120 177.8295 15 G 3.9611 9.9391 111.1317 46.0951 0.0000 172.4424 16 Q 4.8341 7.7895 118.3093 54.0407 32.5488 173.9738 17 Y 5.2183 8.9401 121.3041 56.1187 42.1204 174.8260 18 V 5.1249 8.9275 121.0222 61.5383 35.3978 174.2543 19 S 4.7403 8.7246 118.7021 56.2238 66.2164 173.3561 20 N 5.2214 8.1044 120.5898 52.0749 39.4360 173.0816 21 P 4.4872 0.0000 0.0000 62.8419 32.3328 175.3412 22 R 4.6597 8.0208 117.6600 54.5907 32.5771 175.0708 23 F 4.7402 7.7898 116.8983 56.2842 41.0204 172.4463 24 N 4.9049 8.5701 117.4930 52.9679 39.2023 175.9923 25 I 3.9800 8.7201 124.5507 64.6988 37.9310 177.8359 26 S 4.7326 8.0185 113.9111 59.8739 62.8367 175.1535 27 D 4.5781 8.2326 121.0199 55.7240 41.0877 176.2437 28 Y 4.6784 8.1043 114.6227 57.1627 40.7789 175.1950 29 F 5.3946 8.6015 117.2737 55.4305 43.4023 173.7408 30 E 4.7064 9.8062 124.0223 55.5137 30.9624 175.1525 31 I 4.5267 8.4475 127.8000 60.7640 38.8802 175.7457 32 V 4.2996 8.8228 127.3596 60.7752 32.7763 174.6636 33 R 4.5886 8.5759 126.2475 56.2623 30.6907 176.2201 34 Q 4.7146 9.0962 121.3762 52.9629 31.8701 173.9801 35 P 4.3465 0.0000 0.0000 63.3759 31.7422 176.3012 36 G 4.1025 8.4184 108.6147 45.8755 0.0000 173.7564 37 D 4.7784 7.8594 121.0419 51.7759 41.7399 176.2877 38 G 4.1945 8.7764 107.5964 46.1382 0.0000 174.4877 39 N 4.9949 8.6627 116.7095 52.5604 39.2874 175.7714 40 C 4.0022 8.1807 117.6251 61.6328 29.3117 175.7109 41 F 3.6299 8.0829 122.2449 61.3411 38.8441 176.6066 42 Y 4.0440 7.7197 115.6920 61.0434 37.8096 177.4998 43 H 4.2653 8.2242 117.3288 59.0736 28.5716 178.0224 44 S 4.1134 7.8427 115.7775 61.5508 62.9834 176.4976 45 I 3.6772 7.2290 121.7499 64.1512 36.8349 178.0898 46 A 4.0225 8.1683 121.8521 55.5056 18.0003 179.0519 47 E 3.9217 8.3981 116.5081 59.0515 29.6679 178.1603 48 L 4.6788 7.6607 115.9143 54.4416 42.5508 176.7164 49 T 4.5544 7.5481 109.4172 60.6991 69.2289 172.1074 *51 P 4.0493 0.0000 0.0000 64.7953 32.9558 176.5324 52 N 4.1206 8.7603 117.8571 54.2858 35.7081 174.1148 53 K 4.2500 7.5992 118.4578 56.5720 33.6486 175.7787 54 T 4.6812 8.8443 113.1257 60.6807 71.5538 173.8407 55 D 4.6018 8.7868 119.6734 56.7481 41.1728 176.6414 56 H 4.9434 8.3561 115.4386 55.6521 30.6158 176.3881 57 S 4.2565 8.0371 116.7359 61.6217 62.5291 175.9149 58 Y 4.2977 8.2533 119.9818 60.3451 37.3665 177.9915 59 H 3.6800 7.1900 117.7305 58.9726 28.7383 176.9493 60 Y 4.0950 8.1495 121.1559 60.5952 38.5971 177.8456 61 I 3.7505 7.6960 120.4496 64.0000 37.4692 178.2931 62 K 3.7192 8.1199 119.4805 59.0923 31.7230 179.5026 63 R 3.9430 7.4780 118.6552 58.8044 30.0461 178.7773 64 L 3.9007 7.6160 118.7974 57.9068 41.3907 179.8467 65 T 3.9598 7.7977 115.8732 66.4297 68.4769 176.1066 66 E 3.9220 7.9374 120.9256 59.6788 29.4483 179.1839 67 S 4.0909 8.0672 114.5108 61.6781 62.9426 176.6448 68 A 4.1828 8.3242 123.2191 54.9858 17.9733 179.6870 69 A 4.0755 8.3485 119.7093 55.5966 18.3981 180.0352 70 R 3.8542 7.9095 115.0734 59.0236 30.1155 178.6544 71 K 4.0368 7.4027 116.9042 57.4189 32.7080 177.1032 72 Y 4.8152 7.8292 114.3001 58.1933 40.8799 176.7970 73 Y 4.0359 8.5188 121.6029 60.9289 38.6791 178.2027 74 Q 4.1288 8.1528 114.8849 57.3377 28.9854 176.7789 75 E 4.6689 7.9426 116.4075 55.1398 30.8201 176.1233 76 E 4.0881 7.5545 120.5957 55.1596 30.2234 175.2976 77 P 4.1729 0.0000 0.0000 65.8239 31.5037 178.1815 78 E 3.9991 8.0925 116.6427 58.5258 29.7558 178.2614 79 A 3.8323 7.7362 120.7622 54.7480 17.9790 179.4570 80 R 3.9260 7.5698 115.6387 58.6363 30.0956 178.3747 81 L 4.2443 7.6479 118.1322 56.8271 41.8695 178.9069 82 V 3.7986 7.5373 117.7932 63.8412 32.2596 176.2578 83 G 3.9787 8.2528 104.5948 46.6811 0.0000 173.0710 84 L 4.9246 7.5022 116.7741 51.5419 46.0286 178.1969 85 S 4.4030 8.5145 116.6662 58.2501 64.9580 174.9512 86 L 3.5192 8.7505 124.5323 58.7910 41.5566 179.4291 87 E 3.9892 8.0778 117.6877 59.3660 29.5562 178.8396 88 D 4.3321 8.1958 119.0579 57.3109 40.6515 178.0757 89 Y 3.9753 7.9603 119.2747 60.6395 38.8358 177.6925 90 L 3.8348 7.5147 118.3716 57.8243 41.8792 179.3977 91 K 4.0611 7.6592 117.7824 59.3648 31.7220 179.8447 92 R 3.8857 7.3720 114.0876 57.1883 29.7747 177.1173 *94 L 4.2122 7.8939 118.3625 53.7969 43.9981 177.7093 95 S 4.2509 7.3898 113.3786 58.0826 63.3605 173.6278 96 D 4.5547 8.4192 122.0579 55.8002 40.8296 176.0306 97 N 4.7974 9.0378 117.7418 53.9805 36.0002 173.1134 98 E 4.5392 7.7069 118.6036 54.8721 30.3612 176.5947 99 W 4.5416 8.9839 126.1052 57.2487 29.7800 175.9624 100 G 3.4401 8.0148 110.4754 44.7882 0.0000 171.7610 101 S 4.3791 6.0366 112.5169 56.6083 66.1896 177.0414 102 T 3.7715 8.0968 110.1965 64.7676 67.6773 175.9185 103 L 3.7422 7.2498 122.0889 58.2674 42.2952 178.5976 104 E 4.1016 7.8445 116.2206 59.0902 29.5960 178.7924 105 A 4.1971 7.6879 121.0744 55.0087 17.8724 179.6582 106 S 3.7921 6.8747 107.0057 59.4622 61.6613 175.5029 *108 L 4.2775 7.8563 121.7449 54.5531 43.7068 178.8011 109 A 4.1620 8.0300 120.8346 54.6163 18.5933 179.8943 110 K 3.7328 7.4631 112.9105 59.7303 31.9728 179.1945 111 E 4.1750 7.4154 114.0383 57.4531 28.7951 177.0189 *113 G 3.8660 7.9018 104.4180 44.8978 0.0000 172.7901 114 I 4.6516 7.6298 111.8478 58.7413 40.9573 173.7143 115 T 4.7077 8.1631 117.0304 62.4173 70.3778 173.9225 116 I 5.0082 8.7862 126.9531 59.5097 40.4714 174.5119 117 I 4.7351 8.8875 127.4547 59.4312 40.3571 174.4449 118 I 4.7075 8.5326 128.1151 59.5199 39.3941 174.6722 119 W 5.0862 9.2802 128.8209 55.6454 30.6855 175.2815 120 T 5.0386 9.1645 120.9642 60.6650 68.7036 173.8150 121 V 4.9923 8.3136 120.6689 59.1548 35.7783 175.3763 122 A 4.1781 8.5752 125.7510 51.5448 18.9362 178.7866 123 A 4.2819 8.4328 122.1671 54.9884 18.3568 178.9203 124 S 4.2976 7.9621 108.1842 58.5342 63.7708 174.1996 125 D 4.4944 8.5644 120.8958 55.3805 38.7958 173.0207 126 E 4.6030 7.5208 118.0437 55.2846 30.3932 176.2324 127 V 4.0815 7.9354 123.5944 62.8992 31.8022 175.6365 128 E 4.3025 8.9603 127.6804 58.9879 30.1788 176.7437 129 A 4.6859 7.6830 117.9012 51.0830 22.8794 175.1927 130 G 3.9164 8.7114 106.5606 44.2252 0.0000 172.1839 131 I 4.9446 8.4451 124.9295 59.0566 40.0270 174.3587 132 K 4.4361 8.7165 128.6756 54.2995 34.7287 174.5853 133 F 5.0124 9.0769 126.6812 59.1248 40.9051 174.6625 134 G 4.3153 8.2937 110.2627 44.3191 0.0000 172.8414 135 D 4.3399 8.4654 118.3979 54.3213 41.3940 177.2888 136 G 3.6939 8.0518 109.4127 45.3474 0.0000 172.3920 137 D 4.6909 7.8263 118.5170 50.8961 41.5017 177.9367 138 V 3.7393 8.1306 118.2387 64.7587 31.4099 177.7094 139 F 4.4949 7.7381 118.6911 60.3951 38.8870 176.2872 140 T 4.2347 7.7869 106.9042 62.5868 69.2669 174.7985 141 A 4.4814 7.3575 124.2618 51.6191 19.8502 177.3618 142 V 3.9863 8.8424 120.5961 62.3987 32.7921 174.6265 143 N 5.4806 8.8968 126.1221 51.9765 40.5381 174.2401 144 L 5.2057 9.5406 124.0873 52.8568 45.6451 175.1241 145 L 5.1534 9.0075 124.1884 53.8376 44.3591 174.4678 146 H 5.0228 9.6376 127.9276 54.6789 31.5149 173.7987 147 S 4.6679 8.2695 120.1868 57.2036 66.5579 174.9461 148 G 3.6713 9.1886 108.5671 45.8227 0.0000 174.0209 149 Q 3.5091 8.1230 115.3007 56.5370 26.2965 174.5404 150 T 4.2013 7.4992 103.4609 61.9991 70.9595 172.7366 151 H 4.6211 7.3092 121.0901 54.9128 33.5639 171.7385 152 F 5.3992 8.3546 122.3408 55.8799 41.8933 173.9961 153 D 5.1647 9.1569 121.3147 52.4173 45.3737 174.5968 154 A 4.9166 8.4731 120.8403 51.1506 20.9261 176.4192 155 L 5.4024 8.5036 119.0067 53.0369 45.3389 176.4775 156 R 4.9336 9.0096 121.2814 54.0903 33.5488 175.3665 157 I 4.0475 8.7031 123.9336 61.3619 38.0253 176.0047 158 L 4.1164 9.0000 126.7224 54.3324 42.4670 176.2873 159 P 4.1924 0.0000 0.0000 65.8518 31.3370 178.6225 160 Q 4.0555 7.7328 113.2498 58.0001 28.2866 176.7200 161 F 5.0135 7.7580 115.8215 57.2343 39.9813 175.1000 162 E 4.2627 8.5106 127.7995 56.3298 29.3618 175.6533 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 P 0.00 4.75 0.00 2.28 2.42 0.00 3.88 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 2.02 1.96 0.00 0 G 8.31 3.71 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 0.00 0.00 0.00 2 D 8.99 4.00 0.00 3.10 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 3 F 8.00 4.12 0.00 2.90 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 4 L 7.49 3.68 0.00 1.55 1.30 0.68 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.29 4.30 0.00 2.31 2.28 0.00 3.27 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 6 S 7.19 4.66 0.00 4.04 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 7 L 6.91 3.52 0.00 1.59 1.02 1.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.99 4.58 0.00 2.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.58 4.99 0.00 3.16 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 10 T 8.97 4.45 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 1.23 0.00 0.00 11 Q 8.85 4.02 0.00 1.65 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.00 1.51 0.00 12 V 7.84 4.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.85 0.00 0.00 13 I 7.04 4.30 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.13 0.88 0.00 0.00 14 A 8.50 4.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.94 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 16 Q 7.79 4.83 0.00 1.92 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 Y 8.94 5.22 0.00 2.63 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 18 V 8.93 5.12 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 1.03 0.00 0.00 0.92 0.00 0.00 19 S 8.72 4.74 0.00 2.72 2.63 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 8.10 5.22 0.00 2.61 2.70 0.00 0.00 6.98 8.02 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 21 P 0.00 4.49 0.00 2.51 2.02 0.00 3.81 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 22 R 8.02 4.66 0.00 1.71 1.89 0.00 3.25 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 23 F 7.79 4.74 0.00 3.17 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 24 N 8.57 4.90 0.00 2.96 2.88 0.00 0.00 6.41 7.45 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 25 I 8.72 3.98 1.96 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.97 0.00 0.00 26 S 8.02 4.73 0.00 3.95 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 27 D 8.23 4.58 0.00 2.86 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 0.00 0.00 0.00 0.00 28 Y 8.10 4.68 0.00 2.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.60 5.39 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.81 4.71 0.00 2.07 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 2.34 0.00 31 I 8.45 4.53 1.92 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 1.29 0.76 0.95 0.00 0.00 32 V 8.82 4.30 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 1.06 0.00 0.00 0.99 0.00 0.00 33 R 8.58 4.59 0.00 1.75 1.87 0.00 3.43 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 34 Q 9.10 4.71 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 35 P 0.00 4.35 0.00 1.89 1.93 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.98 0.00 36 G 8.42 4.10 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 0.00 0.00 0.00 37 D 7.86 4.78 0.00 3.00 2.75 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 38 G 8.78 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.66 4.99 0.00 2.16 2.05 0.00 0.00 6.72 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.18 4.00 0.00 3.23 3.37 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 41 F 8.08 3.63 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.04 0.00 3.22 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 43 H 8.22 4.27 0.00 3.32 3.32 0.00 5.62 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 44 S 7.84 4.11 0.00 3.74 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 45 I 7.23 3.68 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.21 0.84 0.00 0.00 46 A 8.17 4.02 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 3.92 0.00 2.08 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 0.00 2.37 2.46 0.00 48 L 7.66 4.68 0.00 1.68 1.72 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.55 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 *51 P 0.00 4.05 0.00 2.08 2.07 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 52 N 8.76 4.12 0.00 2.82 2.83 0.00 0.00 6.97 7.61 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 53 K 7.60 4.25 0.00 1.76 1.74 0.00 1.99 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.50 1.53 7.81 54 T 8.84 4.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 55 D 8.79 4.60 0.00 2.61 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 56 H 8.36 4.94 0.00 3.28 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.04 4.26 0.00 3.96 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 58 Y 8.25 4.30 0.00 3.16 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 59 H 7.19 3.68 0.00 3.18 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.15 4.10 0.00 3.06 3.13 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 61 I 7.70 3.75 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.76 1.06 0.00 0.00 62 K 8.12 3.72 0.00 1.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 71 K 7.40 4.04 0.00 1.05 0.77 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.37 7.81 72 Y 7.83 4.82 0.00 3.13 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 73 Y 8.52 4.04 0.00 2.94 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 74 Q 8.15 4.13 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 75 E 7.94 4.67 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 2.27 2.35 0.00 76 E 7.55 4.09 0.00 1.90 1.75 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 2.47 2.43 0.00 77 P 0.00 4.17 0.00 2.12 2.07 0.00 3.55 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 78 E 8.09 4.00 0.00 2.02 1.88 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 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0.00 2.47 2.62 0.00 105 A 7.69 4.20 1.06 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 0.00 106 S 6.87 3.79 0.00 3.43 3.67 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 *108 L 7.86 4.28 0.00 1.85 1.75 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.03 4.16 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.46 3.73 0.00 0.96 0.95 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.19 7.81 111 E 7.42 4.18 0.00 2.04 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 0.00 2.54 2.37 0.00 *113 G 7.90 3.87 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 0.00 0.00 0.00 114 I 7.63 4.65 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.93 0.00 0.00 115 T 8.16 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0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.51 0.00 0.00 132 K 8.72 4.44 0.00 0.79 0.82 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.81 7.81 133 F 9.08 5.01 0.00 2.88 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 0.00 134 G 8.29 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 0.00 135 D 8.47 4.34 0.00 2.64 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 0.00 136 G 8.05 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 0.00 137 D 7.83 4.69 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.13 3.74 2.32 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 0.04 0.00 0.00 1.27 0.00 0.00 139 F 7.74 4.49 0.00 3.16 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 0.00 140 T 7.79 4.23 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 1.36 0.00 0.00 141 A 7.36 4.48 1.33 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 0.00 0.00 142 V 8.84 3.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 143 N 8.90 5.48 0.00 2.92 2.98 0.00 0.00 6.91 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 0.00 144 L 9.54 5.21 0.00 1.70 1.76 0.53 0.07 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 0.00 145 L 9.01 5.15 0.00 1.76 1.58 1.00 0.86 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 0.00 146 H 9.64 5.02 0.00 3.03 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.27 4.67 0.00 3.78 3.81 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 0.00 148 G 9.19 3.67 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 0.00 0.00 0.00 149 Q 8.12 3.51 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 150 T 7.50 4.20 4.01 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 1.37 0.00 0.00 151 H 7.31 4.62 0.00 3.06 3.08 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.35 5.40 0.00 2.85 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 0.00 153 D 9.16 5.16 0.00 2.61 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 0.00 154 A 8.47 4.92 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.50 5.40 0.00 1.70 1.65 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 156 R 9.01 4.93 0.00 1.83 1.89 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 157 I 8.70 4.05 2.34 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 1.04 0.00 0.00 158 L 9.00 4.12 0.00 1.64 1.64 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.19 0.00 2.07 2.07 0.00 3.51 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 160 Q 7.73 4.06 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 161 F 7.76 5.01 0.00 3.19 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 0.00 162 E 8.51 4.26 0.00 1.93 1.89 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 2.33 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.