NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3078 8.2649 123.5854 51.3055 19.9476 176.5516 3 R 4.1957 7.8065 120.3424 56.4289 32.7250 175.3680 4 I 4.3518 9.2945 120.4839 61.4116 38.8632 176.9621 5 A 4.7970 9.0276 127.2875 51.6080 23.7399 180.0502 6 G 3.9723 9.7162 111.8687 46.3712 0.0000 175.7896 7 V 4.3825 8.6625 113.8864 62.9361 33.4200 172.2887 8 E 4.3429 8.4166 119.2571 55.2112 29.8053 175.9684 9 I 4.8019 8.0748 124.3297 58.3446 38.5439 173.1804 10 P 4.6214 0.0000 0.0000 63.0306 32.0413 175.4447 11 R 4.3540 8.5265 115.0814 56.5294 33.6810 176.1878 12 N 4.2233 7.6449 114.0877 54.5211 35.9562 174.4840 13 K 4.5563 8.6913 120.0248 54.4655 35.5857 176.2581 14 R 3.8242 8.3833 118.2118 55.6016 30.0895 177.3715 15 V 3.6216 8.4342 116.7295 64.6483 31.3843 178.1073 16 D 4.5229 7.7299 117.2534 55.3501 39.4783 177.5786 17 V 4.2321 8.4010 119.9717 62.2847 33.0453 177.0026 18 A 3.6837 7.6606 120.1540 54.9776 17.9581 179.3534 19 L 3.9195 7.5505 116.4032 57.9590 41.4400 179.0519 20 T 4.3490 7.4878 116.9963 66.0103 68.1133 175.3798 21 Y 4.6501 7.2929 115.5568 58.4010 37.8457 175.1826 22 I 4.7773 7.8508 120.8179 59.4590 40.1109 174.6949 23 Y 3.9172 9.1761 126.5426 60.8547 37.9701 175.3250 24 G 3.6462 8.0718 115.7586 45.2058 0.0000 172.5777 25 I 4.1167 7.8316 121.4443 59.5574 37.9378 174.8283 26 G 4.3249 7.8906 118.2464 44.2600 0.0000 172.6111 27 K 3.7680 8.4992 118.7159 58.1875 32.7177 179.7010 28 A 3.9116 7.4085 122.0261 55.7401 18.6922 179.5297 29 R 4.1674 7.7762 109.5699 56.9636 29.7444 177.9593 30 A 4.2229 7.7264 121.7405 53.2681 18.1699 179.7297 31 K 3.5486 6.8980 117.3506 58.8491 32.7341 178.7050 32 E 4.0053 8.3614 117.4764 58.4169 28.6944 177.5517 33 A 4.5852 8.9252 120.6376 53.0332 19.8932 178.5443 34 L 4.3589 7.8639 118.8597 55.9479 41.8222 178.9277 35 E 4.0311 7.8878 117.6937 58.8636 30.0174 178.0823 36 K 4.0076 7.0422 113.7395 57.0784 32.2098 177.9914 37 T 4.2881 7.3507 109.6670 60.5073 70.1317 175.1200 38 G 3.9028 7.8912 108.3612 46.0828 0.0000 172.6753 39 I 4.3655 7.4428 119.4754 58.4275 37.8203 175.3331 40 N 4.2465 8.7443 123.0750 53.7874 39.2121 173.8523 41 P 4.5163 0.0000 0.0000 65.0824 31.8803 178.3611 42 A 4.0742 8.1133 120.3264 54.1934 19.2577 178.0332 43 T 3.8609 7.2831 105.6985 61.7788 68.9961 174.4471 44 R 4.3677 8.4026 124.3734 56.3127 30.6845 176.7380 45 V 3.8316 8.1655 118.0595 64.7934 31.7992 177.2468 46 K 4.2042 7.9762 116.5495 57.2217 32.8146 176.1964 47 D 4.6675 7.9072 119.4064 53.3499 43.0829 175.0407 48 L 5.0769 8.4032 128.2996 55.6117 42.1155 174.0237 49 T 3.9952 8.9052 121.6231 63.7704 69.2260 174.7646 50 E 4.1352 8.6550 120.9962 59.4387 28.9972 178.3501 51 A 4.1038 8.2224 121.8641 53.6133 18.3739 179.0145 52 E 3.9698 7.9715 114.3988 59.8077 29.9880 179.5921 53 V 3.6420 7.9358 118.4419 65.5718 31.4394 177.8303 54 V 3.6017 8.4784 118.0497 66.0633 31.0880 178.5671 55 R 3.8735 9.1712 119.0726 59.3310 29.8200 178.3026 56 L 3.9745 8.2569 120.4171 58.1330 42.1409 178.7791 57 R 3.9237 8.6744 119.0048 59.4015 29.7704 177.9613 58 E 3.9616 8.5538 117.9266 59.3049 29.4352 178.3974 59 Y 3.9922 8.2965 118.0798 59.2383 38.5638 178.2829 60 V 2.9773 5.8371 118.0107 66.1249 32.5541 176.3417 61 E 4.0960 8.2506 119.2820 58.5823 29.1730 177.2561 62 N 4.7607 7.3678 114.0371 54.6018 40.6848 176.7446 63 T 3.5026 8.1559 114.7790 65.7595 69.3163 174.2745 64 W 4.3950 6.2690 119.5630 55.6637 32.6681 175.0373 65 K 4.3067 8.8298 115.0929 55.6970 34.1934 171.9391 66 L 4.7599 8.8343 120.7848 53.8402 42.3417 171.8167 67 E 3.7938 8.4767 125.7783 58.8681 28.4266 175.6831 68 G 4.1049 9.6261 123.6474 43.6690 0.0000 171.2512 69 E 4.9840 7.1566 122.4340 54.8519 30.7183 174.2104 70 L 4.6148 8.0354 123.7395 54.2545 45.3078 178.2601 71 R 3.9069 8.1462 117.1834 59.6988 30.0553 177.9180 72 A 4.1713 8.6181 119.3304 53.6332 18.1368 178.7384 73 E 4.1012 9.6339 118.3544 58.6178 29.8680 178.3247 74 V 3.8155 7.7817 117.0645 65.3932 31.6026 176.4445 75 A 4.0656 8.0221 121.3027 54.4057 17.8470 178.4462 76 A 4.0016 7.5645 119.9195 54.2058 18.7618 178.9002 77 N 4.2224 7.5019 114.1737 57.1179 38.7559 176.6344 78 I 3.8330 7.9348 120.7065 64.0330 37.1718 178.5654 79 K 3.9017 7.9152 119.6699 59.9983 31.8024 179.4670 80 R 3.7998 8.1653 118.8436 59.4443 30.0384 177.9244 81 L 4.2958 7.2993 112.9792 56.1826 41.1474 176.8994 82 M 4.5911 8.3867 116.4069 55.0098 32.4635 178.7656 83 D 4.8561 7.5115 119.2105 53.2891 38.6299 178.5713 84 I 3.7732 8.3472 117.5873 62.1541 37.8309 175.3173 85 G 4.1879 7.7338 109.9312 45.5219 0.0000 174.2334 86 C 4.0978 9.1096 114.6261 58.5022 30.9367 174.7081 87 Y 4.2003 8.9787 123.5608 61.0609 38.3545 178.5623 88 R 3.6868 8.1971 117.6015 58.9401 30.6274 177.8968 89 G 3.6127 8.4639 107.6112 48.5410 0.0000 174.2247 90 L 4.2381 7.0469 118.4156 54.9256 42.5743 176.7133 91 R 4.2774 8.6207 121.3412 57.7412 28.1637 178.9356 92 H 4.2734 7.9148 112.7635 58.8414 29.1169 176.9187 93 R 4.0101 8.1991 119.1317 58.9321 30.4274 176.9529 94 R 4.3307 7.4953 113.0589 58.3875 30.3240 177.8974 95 G 3.6400 7.5513 98.5682 47.5219 0.0000 172.2654 96 L 4.4934 7.6624 128.8509 53.3794 46.0872 172.3094 97 P 4.6176 0.0000 0.0000 61.8020 32.7943 175.7837 98 V 4.3274 7.9504 122.9754 61.3034 30.0965 175.2840 99 R 4.4908 7.8646 126.0587 56.6106 31.4504 176.6498 100 G 3.7944 8.6133 102.1295 47.2042 0.0000 172.7398 101 Q 4.4290 7.9606 122.4242 54.5216 32.6731 175.0157 102 R 4.0991 8.3531 117.9416 57.2290 28.3520 176.9057 103 T 4.2548 8.1697 112.7315 62.3470 70.9819 176.8368 104 R 3.9361 8.3661 122.2456 58.0544 28.9754 177.9451 105 T 4.1384 8.8021 103.4544 61.4670 70.8852 176.0262 106 N 3.8894 9.3177 117.9466 54.4738 37.4768 173.6268 107 A 3.6970 8.6044 117.1628 54.4474 15.6722 180.1420 108 R 4.1227 8.0422 121.0276 60.7818 30.6016 179.4516 109 T 4.1290 7.9867 113.1970 65.8951 68.4795 174.6891 110 R 4.5560 7.9383 117.5883 55.3634 30.9844 175.1983 111 K 4.3989 8.5773 118.4720 54.4808 34.3263 176.0088 112 G 3.8196 8.6027 113.8312 43.4768 0.0000 171.0530 113 P 4.1255 0.0000 0.0000 61.5311 32.0134 173.4593 114 R 4.5824 7.9526 115.8930 54.3328 31.9461 177.1185 115 K 4.2982 8.7721 121.5404 56.7092 33.6941 179.7763 116 T 3.1663 8.7333 114.4781 62.7479 67.9992 174.0947 117 V 3.5357 9.3278 120.6976 63.2319 32.5746 169.0796 118 A 4.6543 8.0344 124.2161 50.7874 22.2655 175.7214 119 G 3.9565 8.2043 108.2458 44.2716 0.0000 173.0766 120 K 4.2329 8.3246 119.7725 55.0774 31.8910 177.1997 121 K 4.3672 8.3077 124.2058 55.4873 33.5593 174.9580 122 K 4.5851 8.1578 117.8007 54.9856 35.3694 175.0968 123 A 4.5712 8.3794 123.1122 50.5673 19.3667 174.4171 124 P 4.5866 0.0000 0.0000 63.6074 31.3908 176.5866 125 R 3.9303 7.7865 120.8462 57.2192 30.5741 177.3925 *126 K 4.1215 8.3603 118.9710 55.1641 32.4047 172.6450 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 A 8.26 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.81 4.20 0.00 1.91 1.95 0.00 3.17 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 4 I 9.29 4.35 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.97 0.00 0.00 5 A 9.03 4.80 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 6 G 9.72 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 7 V 8.66 4.38 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 0.81 0.00 0.00 0.94 0.00 0.00 8 E 8.42 4.34 0.00 2.25 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 2.37 2.33 0.00 9 I 8.07 4.80 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.98 0.00 0.00 10 P 0.00 4.62 0.00 2.12 2.28 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 11 R 8.53 4.35 0.00 1.90 1.85 0.00 3.17 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 12 N 7.64 4.22 0.00 2.79 3.11 0.00 0.00 6.68 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 13 K 8.69 4.56 0.00 1.53 1.58 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 14 R 8.38 3.82 0.00 2.33 2.29 0.00 2.99 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 15 V 8.43 3.62 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 0.94 0.00 0.00 1.08 0.00 0.00 16 D 7.73 4.52 0.00 2.78 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 17 V 8.40 4.23 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 1.13 0.00 0.00 0.90 0.00 0.00 18 A 7.66 3.68 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 19 L 7.55 3.92 0.00 1.66 1.79 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.49 4.35 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 21 Y 7.29 4.65 0.00 3.01 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 22 I 7.85 4.78 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.29 1.05 0.00 0.00 23 Y 9.18 3.92 0.00 3.10 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 24 G 8.07 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 25 I 7.83 4.12 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.98 0.00 0.00 26 G 7.89 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 27 K 8.50 3.77 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.49 7.81 28 A 7.41 3.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.78 4.17 0.00 1.64 1.86 0.00 2.46 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.26 0.00 30 A 7.73 4.22 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 31 K 6.90 3.55 0.00 1.78 1.92 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 32 E 8.36 4.01 0.00 2.11 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 0.00 2.42 2.47 0.00 33 A 8.93 4.59 1.77 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 34 L 7.86 4.36 0.00 1.79 1.91 0.92 0.92 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 35 E 7.89 4.03 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 36 K 7.04 4.01 0.00 0.79 1.28 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.59 7.81 37 T 7.35 4.29 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 0.99 0.00 0.00 38 G 7.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.44 4.37 1.85 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 1.27 0.64 0.94 0.00 0.00 40 N 8.74 4.25 0.00 2.78 2.70 0.00 0.00 7.24 7.71 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 41 P 0.00 4.52 0.00 2.21 2.07 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 42 A 8.11 4.07 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 43 T 7.28 3.86 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 1.20 0.00 0.00 44 R 8.40 4.37 0.00 1.96 1.92 0.00 3.45 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 45 V 8.17 3.83 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 1.02 0.00 0.00 0.96 0.00 0.00 46 K 7.98 4.20 0.00 1.91 1.90 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 47 D 7.91 4.67 0.00 2.69 2.60 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 48 L 8.40 5.08 0.00 1.95 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.91 4.00 4.36 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 1.22 0.00 0.00 50 E 8.66 4.14 0.00 1.98 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 0.00 2.40 2.32 0.00 51 A 8.22 4.10 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 52 E 7.97 3.97 0.00 2.19 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 0.00 2.40 2.41 0.00 53 V 7.94 3.64 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 54 V 8.48 3.60 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 0.94 0.00 0.00 1.01 0.00 0.00 55 R 9.17 3.87 0.00 1.95 2.03 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 56 L 8.26 3.97 0.00 1.93 1.85 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.67 3.92 0.00 1.94 2.07 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 58 E 8.55 3.96 0.00 2.13 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 0.00 2.59 2.49 0.00 59 Y 8.30 3.99 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 60 V 5.84 2.98 2.15 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 1.22 0.00 0.00 1.18 0.00 0.00 61 E 8.25 4.10 0.00 2.05 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 2.34 2.40 0.00 62 N 7.37 4.76 0.00 2.90 2.71 0.00 0.00 6.81 6.93 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 63 T 8.16 3.50 2.69 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 -0.39 0.00 0.00 64 W 6.27 4.40 0.00 3.26 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 65 K 8.83 4.31 0.00 1.78 1.74 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.56 7.81 66 L 8.83 4.76 0.00 2.10 1.89 1.16 1.20 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 67 E 8.48 3.79 0.00 2.26 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 2.32 2.42 0.00 68 G 9.63 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 69 E 7.16 4.98 0.00 1.86 1.82 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 2.14 2.31 0.00 70 L 8.04 4.61 0.00 1.92 1.76 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.15 3.91 0.00 1.21 1.70 0.00 2.93 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 72 A 8.62 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.63 4.10 0.00 2.31 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 0.00 2.30 2.32 0.00 74 V 7.78 3.82 2.28 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 1.02 0.00 0.00 0.99 0.00 0.00 75 A 8.02 4.07 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 76 A 7.56 4.00 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 77 N 7.50 4.22 0.00 3.07 2.94 0.00 0.00 7.19 7.82 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 78 I 7.93 3.83 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.73 0.00 0.00 79 K 7.92 3.90 0.00 1.92 1.85 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 80 R 8.17 3.80 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 81 L 7.30 4.30 0.00 1.83 1.70 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.39 4.59 0.00 2.19 2.13 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 2.53 2.60 0.00 83 D 7.51 4.86 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 84 I 8.35 3.77 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 1.35 0.81 0.92 0.00 0.00 85 G 7.73 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 86 C 9.11 4.10 0.00 3.14 3.27 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 87 Y 8.98 4.20 0.00 3.00 3.05 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 88 R 8.20 3.69 0.00 1.81 1.94 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 89 G 8.46 3.61 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 0.00 90 L 7.05 4.24 0.00 1.68 1.63 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.62 4.28 0.00 1.78 2.11 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.89 0.00 92 H 7.91 4.27 0.00 3.47 3.30 0.00 5.73 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 93 R 8.20 4.01 0.00 1.78 1.95 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 94 R 7.50 4.33 0.00 1.75 1.81 0.00 3.34 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 95 G 7.55 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.66 4.49 0.00 1.61 1.53 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.62 0.00 2.19 2.15 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 98 V 7.95 4.33 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 0.55 0.00 0.00 0.72 0.00 0.00 99 R 7.86 4.49 0.00 1.81 1.84 0.00 3.35 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 100 G 8.61 3.79 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 0.00 0.00 0.00 101 Q 7.96 4.43 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 102 R 8.35 4.10 0.00 1.80 1.93 0.00 3.37 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 103 T 8.17 4.25 4.25 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 1.30 0.00 0.00 104 R 8.37 3.94 0.00 1.80 1.73 0.00 3.24 0.00 0.00 3.28 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 T 8.80 4.14 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 0.00 106 N 9.32 3.89 0.00 2.85 2.89 0.00 0.00 6.96 7.35 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 0.00 107 A 8.60 3.70 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 0.00 108 R 8.04 4.12 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 109 T 7.99 4.13 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 0.00 110 R 7.94 4.56 0.00 1.75 1.90 0.00 3.14 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 111 K 8.58 4.40 0.00 1.64 1.69 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.42 7.81 112 G 8.60 3.82 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 0.00 0.00 0.00 113 P 0.00 4.13 0.00 2.35 2.16 0.00 3.84 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 1.88 1.96 0.00 114 R 7.95 4.58 0.00 1.85 1.85 0.00 3.12 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 115 K 8.77 4.30 0.00 1.72 1.85 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 116 T 8.73 3.17 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 0.00 117 V 9.33 3.54 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 0.73 0.00 0.00 0.98 0.00 0.00 118 A 8.03 4.65 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.20 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 0.00 120 K 8.32 4.23 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 121 K 8.31 4.37 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 122 K 8.16 4.59 0.00 1.69 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 123 A 8.38 4.57 1.23 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 0.00 124 P 0.00 4.59 0.00 2.19 2.15 0.00 3.78 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 1.98 1.98 0.00 125 R 7.79 3.93 0.00 1.82 1.95 0.00 3.40 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 *126 K 8.36 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.