NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5058 8.3344 117.1049 57.5172 64.0896 172.5830 3 F 4.2476 8.6409 121.3668 58.5294 39.7905 171.1602 4 E 4.5318 7.5002 126.6430 54.0951 33.2242 174.7089 5 Y 3.9273 8.4820 124.6738 58.7874 39.6594 174.9273 6 N 4.1753 8.2641 122.2329 54.6640 36.2544 176.3669 7 E 3.8742 8.1031 119.6106 59.5378 29.4912 178.4204 8 K 3.8661 7.9596 118.9184 59.7380 32.2503 178.5135 9 V 3.6342 7.7366 117.6120 66.1921 31.4657 177.9688 10 L 4.1313 8.0444 118.5546 57.9800 41.4735 179.2813 11 D 4.4979 8.4809 119.1285 57.6015 40.7005 178.4619 12 H 4.5346 8.5621 116.5525 58.0566 28.4019 177.6957 13 F 4.4216 7.9608 122.2966 61.3229 39.4914 177.1201 14 L 4.0400 8.3447 117.4313 56.0998 42.8416 176.8648 15 N 4.9917 8.3134 115.8154 51.1345 38.7598 172.3674 16 P 4.3631 0.0000 0.0000 63.6775 31.2332 177.5847 17 R 4.4755 8.5701 119.3647 55.7387 31.2318 174.7047 18 N 4.4627 8.5161 111.7795 54.9424 36.1847 174.2543 19 V 3.5062 7.3892 116.9980 61.3526 32.7913 176.5078 20 G 3.5847 6.6267 114.1353 44.9025 0.0000 172.1723 21 V 4.2476 7.5920 120.9984 61.2838 34.8140 175.4178 22 L 4.3475 8.9003 128.0794 53.4185 41.3572 177.0577 23 E 3.8451 9.0819 127.8460 60.0942 29.5668 178.4736 24 D 4.7711 7.9318 114.3730 53.0858 40.0018 177.7812 25 A 4.2712 7.7715 124.2411 53.6284 18.2967 178.0949 26 N 4.9505 8.8524 119.2373 52.5731 39.1294 174.6995 27 G 4.6047 7.7708 107.1238 45.3857 0.0000 172.2880 28 V 5.1390 10.1810 125.3958 61.4400 35.7419 174.1185 29 G 4.4244 9.3851 115.7145 45.7640 0.0000 172.3041 30 Q 5.3031 8.6566 123.1503 54.1782 32.1964 173.1647 31 C 4.8981 9.4441 119.5167 55.3821 45.5412 174.3837 32 G 4.1380 9.2520 108.6350 46.7846 0.0000 174.3546 33 N 4.7493 8.0967 117.5079 49.7160 36.9900 174.4137 34 P 4.3817 0.0000 0.0000 64.7255 31.7631 179.1600 35 A 3.9554 8.0751 119.9564 54.7130 18.5146 177.1642 36 C 4.5630 8.7199 116.0339 59.2408 32.0989 175.7215 37 G 4.0601 8.4497 113.0867 45.1264 0.0000 174.0975 38 A 5.1725 8.0388 122.2182 50.5563 20.4556 176.5414 39 A 4.9728 9.3552 123.7681 51.0904 23.6242 174.4885 40 M 5.3598 9.1594 118.3247 54.1914 36.4531 173.5673 41 L 5.3295 9.6392 126.9560 53.5260 45.9736 174.8074 42 F 5.3988 9.8999 124.8983 55.8400 42.7285 174.0796 43 T 5.2375 9.0088 113.3159 59.8707 71.7702 172.9612 44 I 5.1221 9.3568 120.3398 59.7319 42.0330 175.2621 45 K 4.5506 9.0856 126.5972 53.6122 34.3116 175.6700 46 V 4.4773 7.9007 125.0587 60.2949 33.2779 174.9470 47 N 4.6524 8.9742 127.5962 52.3236 39.1586 173.7142 48 P 5.0742 0.0000 0.0000 65.3351 31.4436 177.9911 49 E 4.1775 8.1514 114.8009 57.7923 29.3124 177.2219 50 N 4.8327 8.0585 113.3508 52.4762 40.6045 174.9209 51 D 4.8498 9.0953 118.5679 55.2332 39.3204 172.8586 52 V 4.1599 7.0847 120.0019 62.6177 32.9896 175.6638 53 I 4.1420 9.0096 131.9494 61.3096 36.2113 176.8649 54 E 4.0663 8.6825 126.1307 59.4557 30.2533 174.8970 55 D 4.8680 7.8605 117.0161 53.3590 44.7776 174.5811 56 V 5.0970 8.1134 121.3863 60.7420 34.4959 173.6760 57 R 5.1295 9.1204 120.8434 54.9405 35.0987 173.8024 58 F 5.0466 8.5452 114.9790 55.6239 42.2260 173.4802 59 K 4.5027 9.0558 118.4552 55.2621 36.2111 175.4701 60 T 5.1930 8.7420 121.5611 61.0249 70.7401 173.6167 *61 F 4.7048 9.1184 125.9872 56.8934 42.2110 176.7221 62 G 4.3248 10.2221 110.7662 45.8906 0.0000 174.0782 63 C 4.6356 7.6851 119.8773 55.2577 43.1808 174.1239 64 G 3.6501 8.7300 116.2331 46.8440 0.0000 174.5450 65 S 4.4424 8.2260 116.7809 61.6042 62.9171 175.9171 66 A 3.9712 7.7822 122.3343 54.0411 18.1337 179.4078 67 I 3.9167 7.4480 117.6156 64.7813 37.2601 178.2072 68 A 4.3739 8.1306 122.0526 54.6123 18.2809 179.6930 69 V 3.2922 7.2955 116.4676 66.3316 31.5799 178.5233 70 S 3.9062 8.4700 115.3718 61.2354 62.3199 176.5049 71 S 4.1506 7.8393 115.8422 61.7292 62.1851 175.9204 72 M 3.9022 7.8771 120.6834 58.6033 32.0649 177.8102 73 L 3.9512 8.0314 120.7941 58.3938 42.2228 179.1138 74 T 4.0409 8.2566 110.1149 64.8701 68.5454 176.5831 75 E 4.0683 7.9056 120.5026 59.2581 29.5203 178.8844 76 M 4.2759 7.9452 118.3129 58.3533 32.3698 178.6847 77 V 4.0955 7.9003 111.8667 62.1832 32.0839 176.6011 78 K 4.1221 7.3839 119.7025 57.9963 32.3321 176.8349 79 G 3.9274 9.4457 113.7449 45.5385 0.0000 173.0011 80 K 4.6392 7.7022 118.6065 53.0549 35.8521 173.9906 81 P 4.7815 0.0000 0.0000 62.3772 32.0046 177.4222 82 I 3.7074 8.5423 115.2569 64.3996 37.0388 178.3600 83 Q 3.9052 8.0412 120.9383 59.2326 28.7805 177.1588 84 Y 4.0310 7.8510 119.1695 60.8065 38.9845 177.7706 85 A 3.9641 8.0681 121.1253 54.9565 18.3316 179.3756 86 L 3.7352 7.9796 117.4282 57.0062 41.6828 178.5896 87 N 4.7714 7.5317 114.5706 51.7448 38.6705 174.5344 88 L 4.0733 6.8320 122.6761 55.2382 43.1846 176.2978 89 T 4.5481 8.0693 114.0222 59.4756 73.0403 174.8564 90 Y 4.3520 8.3884 121.4651 61.8024 37.8327 179.5080 91 K 4.1240 8.3803 124.1901 60.1530 31.6192 180.4834 92 D 4.6121 7.8681 119.9173 57.3618 40.7910 179.2861 93 I 3.6381 7.6907 119.9526 64.5256 37.1476 178.5098 94 F 4.0920 9.0120 119.6603 60.6293 38.4414 177.6513 95 E 4.0570 8.4898 117.8743 59.5110 29.3390 178.9459 96 E 4.1369 7.7844 117.5411 59.1964 29.5283 179.1013 97 L 4.1277 7.7645 118.7234 56.1020 41.7547 178.1877 98 G 3.7970 8.0614 105.2869 44.4759 0.0000 173.4959 99 G 4.1940 7.5059 109.5370 44.8730 0.0000 172.4533 100 L 4.6067 7.9548 120.0316 52.8409 42.8786 175.2869 101 P 4.5488 0.0000 0.0000 60.7979 32.7861 174.1181 102 P 4.2151 0.0000 0.0000 62.8351 31.7179 176.2701 103 Q 4.5138 8.0226 118.0811 54.7982 30.5551 173.6319 104 K 4.1202 8.1899 125.7443 58.2445 33.2520 176.8340 105 I 4.0649 7.5456 120.2489 60.4578 36.6724 179.8707 *106 H 4.6331 8.5041 124.5404 52.7486 26.0664 169.0437 107 C 4.5529 8.0899 120.2255 55.1735 42.7373 175.6712 108 T 3.8991 8.5750 119.7406 62.0058 68.7251 169.7760 109 N 4.6192 8.8685 123.3487 51.4718 36.5392 175.3353 110 L 4.4434 8.8388 125.6277 54.2758 40.0676 176.1147 111 G 4.2341 9.2900 107.0574 45.0559 0.0000 173.4999 112 L 3.6584 7.9992 125.8121 58.4963 41.9789 179.3595 113 E 3.8299 7.8871 117.5989 61.5003 29.8061 181.1717 114 T 4.0449 7.6827 116.7451 66.2444 68.6177 176.3565 115 L 3.4182 7.6560 122.4856 58.2512 41.8839 178.8293 116 H 4.2810 7.7463 115.7843 58.5999 28.5494 177.9841 117 V 3.5655 7.8211 120.1078 65.8719 31.3549 177.9165 118 A 4.3719 8.1817 122.1222 54.7795 18.1934 179.7401 119 I 3.8055 7.7042 118.1695 64.1131 37.0652 178.4977 120 K 3.9228 8.2460 120.7956 59.6559 31.9981 178.1414 121 D 4.3416 8.5572 118.6896 57.5866 41.0249 177.7286 122 Y 4.3478 7.9250 121.1376 60.1471 38.8611 177.9022 123 L 3.6503 8.0914 119.8016 58.1746 41.5495 179.1808 124 M 4.0111 7.9668 117.1181 58.5828 32.0589 178.6965 125 K 3.9147 8.1580 118.1412 60.1554 32.7446 178.7612 126 Q 4.5345 7.9059 127.6650 56.2045 29.5330 176.8972 127 G 4.0501 8.4099 104.8130 44.4629 0.0000 173.8516 128 R 4.2460 7.2470 118.7516 55.3381 26.9149 177.0524 129 V 3.6773 7.6249 125.4973 66.1492 31.8277 176.4259 130 E 3.8740 8.0001 118.4344 59.2652 29.9775 177.7717 131 E 4.0841 8.1368 117.6822 59.5413 29.5121 179.1051 132 A 4.0328 8.0371 120.8458 55.2740 18.2069 179.6592 133 S 4.2690 8.0445 113.5497 61.1611 63.2528 176.4209 134 K 4.3389 7.6352 125.9189 56.1056 31.8337 181.4899 135 I 4.6205 6.7770 120.3566 59.5413 39.2453 174.5217 136 P 4.5119 0.0000 0.0000 63.1249 31.2446 175.6395 137 D 4.7078 8.2088 115.8503 54.1548 43.0210 176.5006 138 C 4.1310 8.3510 122.2825 57.2953 40.6860 172.9858 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.51 0.00 3.65 3.74 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 3 F 8.64 4.25 0.00 3.11 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 4 E 7.50 4.53 0.00 1.71 1.68 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 2.27 2.13 0.00 5 Y 8.48 3.93 0.00 2.97 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 6 N 8.26 4.18 0.00 3.03 2.89 0.00 0.00 7.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.10 3.87 0.00 1.80 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 2.29 2.09 0.00 8 K 7.96 3.87 0.00 1.80 1.96 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.57 7.81 9 V 7.74 3.63 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 1.07 0.00 0.00 0.98 0.00 0.00 10 L 8.04 4.13 0.00 1.96 1.76 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.48 4.50 0.00 2.78 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 12 H 8.56 4.53 0.00 3.37 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.96 4.42 0.00 3.10 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 14 L 8.34 4.04 0.00 1.63 1.69 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.31 4.99 0.00 2.52 2.77 0.00 0.00 7.23 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 16 P 0.00 4.36 0.00 2.34 2.27 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 17 R 8.57 4.48 0.00 1.77 1.83 0.00 3.42 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 18 N 8.52 4.46 0.00 3.10 3.16 0.00 0.00 6.45 7.68 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 19 V 7.39 3.51 1.83 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 0.40 0.00 0.00 0.49 0.00 0.00 20 G 6.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.59 4.25 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 0.82 0.00 0.00 0.87 0.00 0.00 22 L 8.90 4.35 0.00 1.73 1.62 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.08 3.85 0.00 1.90 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 2.29 2.38 0.00 24 D 7.93 4.77 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.27 1.44 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 0.00 0.00 26 N 8.85 4.95 0.00 2.94 3.13 0.00 0.00 6.28 7.91 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 27 G 7.77 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 0.00 0.00 0.00 0.00 28 V 10.18 5.14 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 0.99 0.00 0.00 0.98 0.00 0.00 29 G 9.39 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 0.00 0.00 0.00 0.00 30 Q 8.66 5.30 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.16 1.93 0.00 31 C 9.44 4.90 0.00 2.86 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 32 G 9.25 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.10 4.75 0.00 2.71 2.75 0.00 0.00 7.13 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 34 P 0.00 4.38 0.00 2.18 2.16 0.00 3.59 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 35 A 8.08 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.72 4.56 0.00 2.92 3.02 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 0.00 0.00 0.00 37 G 8.45 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 38 A 8.04 5.17 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 39 A 9.36 4.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 9.16 5.36 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.82 0.00 41 L 9.64 5.33 0.00 1.68 1.59 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.90 5.40 0.00 2.97 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 43 T 9.01 5.24 4.28 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 1.25 0.00 0.00 44 I 9.36 5.12 1.86 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 1.24 0.79 1.02 0.00 0.00 45 K 9.09 4.55 0.00 1.40 1.72 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.21 7.81 46 V 7.90 4.48 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 0.00 0.00 0.42 0.00 0.00 0.38 0.00 0.00 47 N 8.97 4.65 0.00 2.80 2.69 0.00 0.00 6.68 8.42 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 48 P 0.00 5.07 0.00 2.32 2.54 0.00 3.97 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 49 E 8.15 4.18 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.26 0.00 50 N 8.06 4.83 0.00 3.01 3.02 0.00 0.00 6.86 7.95 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 51 D 9.10 4.85 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.08 4.16 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 1.00 0.00 0.00 0.91 0.00 0.00 53 I 9.01 4.14 1.86 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 0.98 0.63 0.96 0.00 0.00 54 E 8.68 4.07 0.00 1.79 1.87 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 2.26 2.14 0.00 55 D 7.86 4.87 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.11 5.10 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 0.81 0.00 0.00 1.13 0.00 0.00 57 R 9.12 5.13 0.00 1.64 1.72 0.00 3.18 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 58 F 8.55 5.05 0.00 1.96 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 59 K 9.06 4.50 0.00 1.55 1.60 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.45 7.81 60 T 8.74 5.19 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 1.42 0.00 0.00 *61 F 9.12 4.70 0.00 1.91 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 0.00 0.00 0.00 0.00 62 G 10.22 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 63 C 7.69 4.64 0.00 2.96 2.99 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 64 G 8.73 3.65 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 0.00 0.00 0.00 65 S 8.23 4.44 0.00 3.93 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 66 A 7.78 3.97 1.41 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 0.00 0.00 67 I 7.45 3.92 2.15 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.10 0.99 0.00 0.00 68 A 8.13 4.37 1.48 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 0.00 0.00 69 V 7.30 3.29 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 1.00 0.00 0.00 0.64 0.00 0.00 70 S 8.47 3.91 0.00 3.13 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 71 S 7.84 4.15 0.00 4.18 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 72 M 7.88 3.90 0.00 2.14 1.78 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 73 L 8.03 3.95 0.00 1.77 1.74 0.82 0.56 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 74 T 8.26 4.04 4.34 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 1.35 0.00 0.00 75 E 7.91 4.07 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 76 M 7.95 4.28 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.63 0.00 77 V 7.90 4.10 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 0.85 0.00 0.00 1.10 0.00 0.00 78 K 7.38 4.12 0.00 1.92 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.42 7.81 79 G 9.45 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 0.00 0.00 0.00 80 K 7.70 4.64 0.00 1.88 1.50 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.33 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.09 1.10 7.81 81 P 0.00 4.78 0.00 2.24 2.18 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 82 I 8.54 3.71 1.87 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 1.47 1.07 0.79 0.00 0.00 83 Q 8.04 3.91 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 84 Y 7.85 4.03 0.00 3.01 3.15 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 85 A 8.07 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.98 3.74 0.00 1.76 1.62 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.53 4.77 0.00 2.81 2.81 0.00 0.00 6.98 7.77 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 88 L 6.83 4.07 0.00 1.38 1.45 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.07 4.55 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 1.15 0.00 0.00 90 Y 8.39 4.35 0.00 3.23 3.56 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 91 K 8.38 4.12 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.12 7.81 92 D 7.87 4.61 0.00 2.95 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 93 I 7.69 3.64 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.70 0.00 0.00 94 F 9.01 4.09 0.00 3.11 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 95 E 8.49 4.06 0.00 2.21 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 2.40 2.60 0.00 96 E 7.78 4.14 0.00 2.06 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 2.37 2.52 0.00 97 L 7.76 4.13 0.00 1.82 1.82 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.06 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.51 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 0.00 100 L 7.95 4.61 0.00 1.67 1.63 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.55 0.00 2.10 2.03 0.00 3.91 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 1.98 2.01 0.00 102 P 0.00 4.22 0.00 1.14 1.73 0.00 2.36 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.74 0.00 103 Q 8.02 4.51 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 104 K 8.19 4.12 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.47 7.81 105 I 7.55 4.06 1.87 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 0.63 0.91 0.00 0.00 *106 H 8.50 4.63 0.00 2.93 2.92 0.00 7.17 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.09 4.55 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.57 3.90 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 1.21 0.00 0.00 109 N 8.87 4.62 0.00 2.85 2.72 0.00 0.00 6.92 7.79 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 0.00 110 L 8.84 4.44 0.00 1.66 1.01 0.92 0.77 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 0.00 111 G 9.29 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 0.00 112 L 8.00 3.66 0.00 1.27 1.22 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.89 3.83 0.00 2.01 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 2.31 1.97 0.00 114 T 7.68 4.04 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 1.48 0.00 0.00 115 L 7.66 3.42 0.00 0.42 1.29 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.75 4.28 0.00 3.35 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.82 3.57 2.26 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 1.05 0.00 0.00 1.01 0.00 0.00 118 A 8.18 4.37 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 0.00 119 I 7.70 3.81 2.03 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 1.39 0.90 0.96 0.00 0.00 120 K 8.25 3.92 0.00 1.97 2.01 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.68 7.81 121 D 8.56 4.34 0.00 2.86 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 0.00 122 Y 7.93 4.35 0.00 3.15 3.19 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 0.00 123 L 8.09 3.65 0.00 1.99 1.81 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.97 4.01 0.00 1.95 2.25 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 2.90 0.00 125 K 8.16 3.91 0.00 1.73 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.48 1.58 7.81 126 Q 7.91 4.53 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 127 G 8.41 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.25 4.25 0.00 2.21 2.07 0.00 2.79 0.00 0.00 3.43 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 129 V 7.62 3.68 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 1.01 0.00 0.00 0.91 0.00 0.00 130 E 8.00 3.87 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 2.28 2.39 0.00 131 E 8.14 4.08 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 132 A 8.04 4.03 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 0.00 133 S 8.04 4.27 0.00 4.06 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 0.00 134 K 7.64 4.34 0.00 1.90 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 135 I 6.78 4.62 1.96 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 1.25 1.18 0.93 0.00 0.00 136 P 0.00 4.51 0.00 2.06 2.06 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 137 D 8.21 4.71 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.35 4.13 0.00 3.14 3.24 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 * Residues marked with a * may have inaccurate shift predictions.