NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2783 8.3027 120.2426 55.5516 30.9767 174.5939 3 L 2.6365 8.3498 124.1166 56.1868 42.0203 175.9803 4 F 3.7804 6.6814 122.6678 58.4683 37.6974 175.1934 5 T 4.4193 7.6609 113.0722 60.5628 71.2421 175.1026 6 E 3.9623 8.7075 120.3031 59.4835 29.5560 178.3383 7 A 4.0259 8.0781 120.3260 54.8693 18.3898 179.2922 8 W 3.9448 8.1384 126.7510 60.4018 30.8314 178.0161 9 A 4.2306 8.5530 120.9423 55.4282 17.9749 179.3835 10 Q 3.8786 8.3642 117.8405 59.3021 29.0693 178.3620 11 A 3.9030 7.9525 121.8330 55.1656 18.2778 179.0231 12 Y 3.8075 7.8143 118.4056 60.7533 38.7415 177.2772 13 C 3.9102 8.0887 119.4441 59.5251 38.5687 175.5653 14 R 3.7594 7.7469 119.9392 59.4354 29.4770 178.6381 15 K 4.0935 7.8734 117.1336 59.4468 32.4115 179.0398 16 L 3.9329 7.9128 119.4962 57.7606 41.2340 179.2784 17 N 4.4971 7.8777 115.3284 55.5449 38.5601 176.3622 18 E 4.5631 7.7145 117.6127 55.8116 30.2930 176.6276 19 S 4.4915 7.5740 114.8151 57.0282 62.9004 173.7939 20 E 3.9703 8.7297 130.9696 59.0945 29.5063 178.2853 21 A 3.9826 7.9637 120.5881 55.2903 18.4516 178.8556 22 Y 3.9592 8.1365 118.1190 60.6272 38.6550 177.7549 23 R 4.0478 7.8256 120.0352 58.8740 30.0812 178.3712 24 K 4.0762 8.2432 117.9629 59.3631 31.8472 179.3424 25 A 4.0201 7.8400 119.9293 54.0367 18.3982 178.5289 26 A 4.6867 7.5807 118.4042 51.8862 19.7066 178.5806 27 S 3.9716 7.5767 118.6344 62.4816 62.8085 176.0430 28 T 4.3191 7.7247 107.1323 60.4417 69.4415 174.1237 29 W 3.6003 8.1538 134.0695 57.5005 31.1761 174.6926 30 E 4.0363 7.0622 123.7365 53.8722 32.3960 173.6754 31 G 4.1299 7.6432 109.4694 43.2564 0.0000 173.2296 32 S 4.9135 8.8677 118.2702 57.9953 65.0423 172.8548 33 L 5.4680 9.2516 123.0769 53.5182 45.6043 174.6121 34 A 5.1814 9.3904 128.0098 50.1679 21.9959 175.0526 35 L 4.7363 8.9189 123.1311 53.1645 43.3988 175.1676 36 A 4.8589 9.2571 127.1190 50.0306 21.8429 175.3266 37 V 4.7983 8.5587 122.9233 61.0682 33.1626 175.7594 38 R 4.4018 8.9201 127.5416 55.3973 30.9603 174.7572 39 P 4.4335 0.0000 0.0000 63.5284 32.0066 176.1347 40 D 4.4939 9.6519 124.7930 52.5259 42.8168 173.7134 41 P 4.2457 0.0000 0.0000 65.3574 31.6715 179.1580 42 K 3.8998 8.0923 115.2996 58.8792 31.9870 177.5176 43 A 4.0732 7.8569 119.0761 51.5447 19.2832 177.5972 44 G 3.7365 8.5441 104.3639 45.5515 0.0000 174.5612 45 F 5.3467 7.8235 116.4525 55.0960 39.1857 174.6111 46 P 4.4085 0.0000 0.0000 65.1919 31.4606 177.7507 47 K 4.3670 8.1477 115.4371 55.7484 33.1316 176.2482 48 G 4.2568 8.3021 106.9705 45.9324 0.0000 172.8255 49 V 4.8585 7.7044 110.4402 59.9093 36.7106 174.2174 50 A 4.6851 8.6233 122.0060 50.8077 23.1404 175.4048 51 V 4.5866 8.3151 121.1443 61.3378 33.7117 174.6577 52 V 4.7575 8.9803 128.8785 61.2655 33.5418 174.1051 53 L 5.0038 9.1831 128.3523 53.1951 44.2897 175.6912 54 D 4.9179 9.0175 125.3597 53.2201 40.2802 174.1476 55 L 5.0954 8.2205 122.7070 53.4711 44.2971 175.5750 56 W 4.8638 9.6519 132.7201 57.1592 34.2232 174.2542 57 H 4.6510 9.6266 126.9374 55.7310 26.4111 176.0056 58 G 3.7043 8.5560 106.2926 45.0078 0.0000 173.0396 59 A 4.8101 8.0364 122.0223 50.3463 21.7279 174.6857 60 C 5.0913 9.3228 119.9026 54.8345 44.0554 174.2733 61 R 3.8279 9.1300 127.9246 57.6713 30.1412 177.2867 62 G 4.2466 7.3780 105.1023 46.2348 0.0000 171.8146 63 A 5.4553 8.4248 121.3154 50.5343 22.5720 175.5354 64 K 4.8185 8.9145 117.3636 55.7667 36.5668 174.3733 65 A 5.2184 8.9679 123.6721 50.4445 20.8101 176.5842 66 V 4.5267 8.8628 115.5536 59.5424 35.7827 174.7092 67 E 4.6220 8.7783 121.8915 56.3153 31.1767 178.3076 68 G 3.9106 8.4326 110.2964 44.3802 0.0000 172.6059 69 E 3.9651 8.6797 120.5380 56.3083 29.7220 176.6682 70 A 4.3685 8.3943 126.9790 51.4428 19.7764 175.8763 71 E 4.5938 8.0953 118.9646 54.6969 31.5443 175.6923 72 A 4.4783 7.9788 124.0365 51.3589 21.7811 175.6076 73 D 4.5148 9.1548 120.4591 56.7778 41.7104 177.5164 74 F 5.0431 8.6505 116.5935 55.5630 43.0115 174.3680 75 V 4.8802 8.8608 123.4490 61.2094 34.4231 174.0258 76 I 5.1079 9.0109 129.5587 59.5708 39.6113 174.5427 77 E 5.5423 9.3786 125.3369 54.9620 32.7731 174.7815 78 A 4.6447 8.6505 121.4590 51.1269 23.4602 175.6350 79 D 4.7162 8.3909 118.8283 53.8725 41.9045 177.6047 80 L 4.2459 8.9521 123.5272 58.7546 41.9368 179.4113 81 A 4.0538 8.0788 119.9237 55.4944 18.3361 179.6240 82 T 3.7766 7.7225 113.7522 66.6045 68.5181 176.8730 83 W 4.4048 8.1810 120.9405 59.6824 29.0314 178.3787 84 Q 4.0245 8.4486 119.7644 59.3529 28.5101 178.2332 85 E 4.0172 8.2700 119.6498 59.2787 29.4716 179.5605 86 V 3.6263 8.0374 118.3235 66.1474 31.4672 178.2111 87 L 4.1625 8.1584 117.5258 57.6896 41.5192 178.9105 88 E 4.2347 8.1699 117.2904 57.1579 29.4491 177.4931 89 G 3.8871 8.0782 106.8819 46.3791 0.0000 174.3201 90 R 4.3762 8.0233 117.0310 55.4633 30.9869 176.4072 91 L 4.4471 7.5367 119.2223 51.9662 43.9095 175.6028 92 E 4.0561 8.7159 127.8917 55.3081 30.7451 174.7696 93 P 4.2139 0.0000 0.0000 66.2845 31.0234 178.5014 94 L 3.9932 8.1542 117.4498 57.3283 41.7089 179.3017 95 S 4.2516 9.5060 113.7581 61.3181 63.2530 176.0406 96 A 4.1461 7.9687 124.3052 54.6445 17.9072 179.9771 97 L 4.6382 7.8152 117.1275 54.9798 41.4325 179.2361 *99 R 4.1499 8.0698 118.7649 55.3671 31.8591 176.8193 100 G 3.9846 7.7974 105.8660 44.9414 0.0000 174.4973 101 L 3.9854 7.7710 119.3814 57.0676 42.1171 177.1942 102 L 4.3502 7.6487 119.1434 52.8712 43.8202 175.2922 103 E 4.6858 9.0980 125.9619 54.4148 31.5249 174.6671 104 L 4.8083 8.5739 129.9892 54.3778 41.2797 175.8242 105 K 4.2502 9.0393 129.2777 58.3241 33.2067 176.9987 106 K 4.4470 8.1189 120.6243 55.7911 35.7294 176.1843 107 G 3.7484 9.2509 112.5307 44.7710 0.0000 172.1136 108 T 4.7828 8.1193 107.0393 59.1509 71.4476 175.2836 109 I 3.9393 8.5127 124.2925 64.4812 36.8931 178.5097 110 A 4.0558 8.1193 120.4426 55.1098 18.3027 179.0004 111 A 4.2853 8.0137 118.1800 54.6176 18.7822 179.1100 112 L 4.4898 7.7837 115.7145 56.6879 41.7686 178.6983 113 A 4.0465 8.4198 121.6173 55.1000 18.0832 177.9586 114 P 4.1950 0.0000 0.0000 64.4960 31.8615 177.0309 115 Y 4.7377 8.1496 116.6206 57.1675 39.1039 177.8684 116 A 4.0311 7.6465 123.7798 55.5354 18.6960 179.5066 117 Q 3.9273 8.0862 117.2620 59.2504 29.1286 178.0478 118 A 4.0279 8.0977 121.1877 55.0498 18.4371 179.2662 119 A 3.9217 8.2073 119.3405 55.4159 18.4749 179.8791 120 Q 3.9991 8.1270 116.5471 59.2881 28.7202 178.9808 121 E 4.1146 8.5178 119.6148 59.1626 29.4797 179.3474 122 L 3.9087 8.3525 119.5331 57.7474 41.7044 179.6816 123 V 3.7080 7.8580 118.0575 66.0451 31.6454 178.1861 124 K 3.9974 8.1934 118.1801 59.5890 31.6898 179.5768 125 V 3.8309 8.0710 117.4966 65.8011 31.7718 177.5731 126 A 3.6692 8.3016 120.6873 55.0543 18.0048 179.4958 127 R 3.9063 7.7946 116.0159 59.6814 30.2822 178.1497 128 E 4.1751 7.9122 115.5656 57.8027 29.5150 179.0375 129 V 3.5426 7.4178 118.4783 65.8365 31.7437 175.3558 130 A 4.2653 8.2491 123.9825 52.7808 18.1506 176.9671 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 E 8.30 4.28 0.00 2.09 1.95 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 2.31 2.34 0.00 3 L 8.35 2.64 0.00 1.17 1.19 -0.74 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 F 6.68 3.78 0.00 2.95 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 5 T 7.66 4.42 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 1.31 0.00 0.00 6 E 8.71 3.96 0.00 2.14 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 2.41 2.48 0.00 7 A 8.08 4.03 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 8 W 8.14 3.94 0.00 3.57 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.55 4.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.88 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 A 7.95 3.90 1.18 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 0.00 0.00 12 Y 7.81 3.81 0.00 1.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 3.91 0.00 3.08 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 14 R 7.75 3.76 0.00 1.98 2.00 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 15 K 7.87 4.09 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.54 7.81 16 L 7.91 3.93 0.00 1.50 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.88 4.50 0.00 2.84 2.88 0.00 0.00 7.04 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 18 E 7.71 4.56 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 2.29 2.55 0.00 19 S 7.57 4.49 0.00 4.03 3.99 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 20 E 8.73 3.97 0.00 2.09 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 2.38 2.38 0.00 21 A 7.96 3.98 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 22 Y 8.14 3.96 0.00 3.11 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 23 R 7.83 4.05 0.00 2.05 2.14 0.00 3.18 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 24 K 8.24 4.08 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.60 7.81 25 A 7.84 4.02 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 26 A 7.58 4.69 0.68 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 0.00 0.00 27 S 7.58 3.97 0.00 3.97 4.22 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 28 T 7.72 4.32 4.21 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 1.17 0.00 0.00 29 W 8.15 3.60 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.06 4.04 0.00 1.35 1.17 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 1.47 1.83 0.00 31 G 7.64 4.13 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 0.00 0.00 0.00 32 S 8.87 4.91 0.00 4.07 4.13 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 33 L 9.25 5.47 0.00 1.85 1.54 1.06 1.18 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 34 A 9.39 5.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.92 4.74 0.00 1.04 0.56 0.89 0.50 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 36 A 9.26 4.86 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 37 V 8.56 4.80 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 1.21 0.00 0.00 0.23 0.00 0.00 38 R 8.92 4.40 0.00 1.79 1.90 0.00 3.28 0.00 0.00 3.64 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 39 P 0.00 4.43 0.00 1.96 2.27 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 40 D 9.65 4.49 0.00 2.89 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 41 P 0.00 4.25 0.00 2.21 2.10 0.00 3.68 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 2.13 2.15 0.00 42 K 8.09 3.90 0.00 1.70 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 43 A 7.86 4.07 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 44 G 8.54 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 0.00 0.00 0.00 45 F 7.82 5.35 0.00 3.08 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 46 P 0.00 4.41 0.00 2.20 2.24 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 47 K 8.15 4.37 0.00 1.91 2.05 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.36 7.81 48 G 8.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.70 4.86 1.65 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 0.42 0.00 0.00 -0.44 0.00 0.00 50 A 8.62 4.69 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.32 4.59 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 1.27 0.00 0.00 1.01 0.00 0.00 52 V 8.98 4.76 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 0.95 0.00 0.00 0.93 0.00 0.00 53 L 9.18 5.00 0.00 1.56 1.48 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.02 4.92 0.00 2.83 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 55 L 8.22 5.10 0.00 2.25 1.80 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.65 4.86 0.00 3.49 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 9.63 4.65 0.00 3.31 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.56 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.81 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 60 C 9.32 5.09 0.00 2.69 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.13 3.83 0.00 2.11 1.96 0.00 3.16 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 62 G 7.38 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 0.00 0.00 0.00 0.00 63 A 8.42 5.46 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 64 K 8.91 4.82 0.00 1.84 1.88 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 65 A 8.97 5.22 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 66 V 8.86 4.53 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 0.71 0.00 0.00 0.95 0.00 0.00 67 E 8.78 4.62 0.00 1.84 1.86 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 2.24 2.30 0.00 68 G 8.43 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.68 3.97 0.00 1.97 1.93 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 2.32 2.26 0.00 70 A 8.39 4.37 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 71 E 8.10 4.59 0.00 1.95 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 2.21 2.27 0.00 72 A 7.98 4.48 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 73 D 9.15 4.51 0.00 3.04 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.65 5.04 0.00 3.16 3.07 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 75 V 8.86 4.88 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 1.11 0.00 0.00 0.98 0.00 0.00 76 I 9.01 5.11 2.22 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 1.01 0.00 0.00 77 E 9.38 5.54 0.00 2.04 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 0.00 2.21 2.25 0.00 78 A 8.65 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.39 4.72 0.00 2.70 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 80 L 8.95 4.25 0.00 1.98 1.91 1.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.08 4.05 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 82 T 7.72 3.78 4.11 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 0.95 0.00 0.00 83 W 8.18 4.40 0.00 3.66 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 Q 8.45 4.02 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 85 E 8.27 4.02 0.00 2.24 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 2.34 2.38 0.00 86 V 8.04 3.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.89 0.00 0.00 87 L 8.16 4.16 0.00 1.70 1.77 0.81 1.32 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 88 E 8.17 4.23 0.00 2.14 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 2.36 2.52 0.00 89 G 8.08 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 90 R 8.02 4.38 0.00 1.92 1.96 0.00 3.22 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 91 L 7.54 4.45 0.00 1.50 1.51 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.72 4.06 0.00 2.05 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 2.61 2.33 0.00 93 P 0.00 4.21 0.00 2.34 2.37 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 94 L 8.15 3.99 0.00 2.00 1.80 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.51 4.25 0.00 3.87 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 96 A 7.97 4.15 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 97 L 7.82 4.64 0.00 1.97 1.71 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *99 R 8.07 4.15 0.00 1.80 2.01 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 100 G 7.80 3.98 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 0.00 0.00 0.00 101 L 7.77 3.99 0.00 1.67 1.63 0.87 0.91 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 0.00 102 L 7.65 4.35 0.00 1.49 1.39 0.74 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 103 E 9.10 4.69 0.00 1.96 1.93 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 2.23 2.23 0.00 104 L 8.57 4.81 0.00 1.75 1.67 1.23 0.87 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 0.00 105 K 9.04 4.25 0.00 1.83 1.85 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.45 7.81 106 K 8.12 4.45 0.00 1.86 1.64 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.39 7.81 107 G 9.25 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.12 4.78 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 1.23 0.00 0.00 109 I 8.51 3.94 1.93 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 1.65 0.75 0.97 0.00 0.00 110 A 8.12 4.06 1.36 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 0.00 111 A 8.01 4.29 1.69 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 0.00 112 L 7.78 4.49 0.00 2.02 1.79 1.07 0.41 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 0.00 113 A 8.42 4.05 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 0.00 114 P 0.00 4.20 0.00 1.74 1.92 0.00 3.85 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 2.05 2.16 0.00 115 Y 8.15 4.74 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.65 4.03 1.37 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 0.00 0.00 117 Q 8.09 3.93 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 118 A 8.10 4.03 1.36 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 0.00 119 A 8.21 3.92 1.42 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 0.00 120 Q 8.13 4.00 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 121 E 8.52 4.11 0.00 2.39 2.21 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 2.60 2.73 0.00 122 L 8.35 3.91 0.00 1.91 1.80 0.75 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.86 3.71 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 1.14 0.00 0.00 1.11 0.00 0.00 124 K 8.19 4.00 0.00 2.04 1.89 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.65 7.81 125 V 8.07 3.83 2.23 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 0.86 0.00 0.00 0.98 0.00 0.00 126 A 8.30 3.67 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 0.00 127 R 7.79 3.91 0.00 2.03 2.19 0.00 3.29 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 128 E 7.91 4.18 0.00 2.12 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 2.36 2.68 0.00 129 V 7.42 3.54 1.95 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 0.13 0.00 0.00 0.55 0.00 0.00 130 A 8.25 4.27 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 * Residues marked with a * may have inaccurate shift predictions.