NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.1629 8.0249 121.4503 61.0299 38.4179 175.8939 20 Y 3.8426 8.6337 122.4858 57.3737 35.8755 174.3733 21 A 3.9497 7.7792 127.1616 52.3566 20.1642 175.4494 22 S 4.5123 7.8853 111.8983 57.3415 62.5954 173.1091 23 F 4.7995 8.4742 125.4794 57.0026 42.3341 174.2506 24 N 4.7118 9.1957 124.7365 52.6765 41.3126 173.1910 25 D 4.8994 8.8419 127.1713 54.3812 41.9416 176.0778 26 T 4.7106 8.7410 112.9219 59.8506 71.2849 172.8243 27 F 4.6199 8.4454 122.9076 55.4715 43.0561 174.3578 28 V 4.5234 8.1775 121.9150 61.5911 33.8584 173.8388 29 H 4.8695 8.8923 125.8411 54.0917 30.9771 173.5870 30 V 4.5158 8.0197 123.9661 61.3215 33.2047 175.2177 31 T 4.7808 8.3169 116.7385 59.5476 71.7671 174.6807 32 D 4.2856 8.8243 122.9661 57.5916 41.5008 178.2337 33 L 4.1515 7.5942 117.7375 57.5185 41.5804 176.8004 34 S 4.6672 7.8819 110.7153 57.3405 66.0050 173.0545 35 G 4.3271 8.2964 106.7662 44.5526 0.0000 172.2064 36 K 5.0246 8.7218 121.4824 54.4910 36.8880 174.9855 37 E 5.2189 8.6630 122.5829 54.7843 32.4177 175.2513 38 T 4.6162 8.1400 110.8071 59.1573 71.0113 174.8768 39 I 3.8497 8.7536 132.1179 62.0443 37.5775 175.7097 40 A 4.4474 7.5958 121.8123 51.2512 20.1410 176.1755 41 R 4.7704 8.0589 115.7605 54.6682 34.0520 176.4371 42 V 3.6999 8.4028 117.4278 66.5721 31.6093 177.6478 43 T 3.8779 7.7742 109.0772 63.7560 68.6862 175.0686 44 G 4.0289 7.6850 107.6700 44.9638 0.0000 174.2993 45 G 3.7015 7.9059 109.5669 45.4633 0.0000 172.4794 46 M 4.6843 8.2792 119.3071 53.6211 32.6242 176.3784 47 K 4.1086 8.8311 123.6577 58.9618 32.5872 177.2151 48 V 4.4401 7.1406 107.6794 60.6511 35.3934 172.3393 49 K 4.9864 8.1551 118.9810 55.4895 36.2242 175.6614 50 A 4.7162 8.3743 120.2458 51.5802 21.7920 175.1108 51 D 4.5367 8.4545 117.7714 53.2445 46.3477 174.8977 52 R 4.1106 8.2411 120.1532 57.3095 30.6041 175.2984 53 D 4.5215 8.7934 120.7786 54.7754 38.7976 176.8735 54 E 3.9800 7.6043 119.5962 58.9035 29.2556 177.6230 55 S 4.6042 7.5705 112.6699 56.3307 64.8942 174.8760 56 S 4.1469 8.5395 114.9481 59.7882 62.7298 172.6460 57 P 4.9905 0.0000 0.0000 60.9975 32.8280 173.9571 58 Y 4.8267 8.4151 116.5136 57.2040 41.6571 173.3055 59 A 4.4565 8.9668 119.8903 50.6612 17.5820 180.5027 60 A 4.3160 8.7270 116.8831 53.5333 18.0018 178.3216 61 M 4.5342 7.3351 120.5098 54.7040 31.3820 175.5138 62 L 4.3527 7.6791 130.5494 54.3243 45.7250 176.6254 63 A 3.9333 8.1599 125.9657 55.4331 18.4483 178.3919 64 A 4.0498 7.4913 118.3171 53.0523 18.9744 178.7297 65 Q 4.3095 8.7277 120.3570 58.9846 28.7317 178.8982 66 D 4.3592 8.0577 119.6617 57.2631 40.8537 178.7163 67 V 3.5293 7.8006 117.9488 66.0894 31.4137 177.5612 68 A 4.0286 7.5134 120.5486 55.1895 17.6123 179.5699 69 A 3.9596 7.7919 119.1211 55.3676 18.6088 179.9201 70 K 3.9041 7.7972 116.5673 59.9738 32.1496 179.4673 71 C 4.1821 8.5419 117.3416 62.5870 28.0315 176.0515 72 K 4.1120 7.8419 121.3393 59.4640 31.7623 178.8523 73 E 3.9654 7.8334 118.3663 59.3399 29.2226 179.2108 74 V 3.7093 7.6945 117.3097 65.1090 31.7770 177.9717 75 G 3.6773 9.0902 103.0757 47.4742 0.0000 176.4985 76 I 3.3319 5.8115 121.7305 63.1490 37.7797 176.5050 77 T 3.8922 7.8627 110.8485 65.5627 68.4836 175.5285 78 A 4.0498 8.1048 123.2563 54.6186 17.3583 179.8290 79 V 3.5212 7.4851 115.1426 64.6591 32.3432 177.4677 80 H 4.8216 9.7019 118.0589 55.7222 27.9286 179.6815 81 V 3.1492 7.9780 127.4195 66.5321 33.1635 175.1657 82 K 4.0986 7.5063 116.1463 59.7300 32.0899 178.9448 83 I 3.7589 7.3928 118.3012 63.9175 38.0149 176.6015 84 R 4.1148 8.0823 115.9615 56.6606 26.7152 175.6956 85 A 4.8486 7.4182 120.7524 50.8079 21.5083 175.8952 86 T 4.5327 8.4104 109.1824 63.2963 71.3164 174.0175 87 G 3.9913 8.1423 110.7956 45.1463 0.0000 172.1667 88 G 5.1741 8.8210 110.8123 44.8482 0.0000 171.6096 89 T 4.8342 8.4800 113.7430 60.3309 71.1589 173.6636 90 R 4.7868 8.4559 125.0841 54.7578 31.7859 175.6368 91 T 4.9333 8.0306 118.1589 61.7325 72.3581 173.2157 92 K 4.7112 9.2313 124.7492 54.8791 36.7729 175.1577 93 T 4.9859 7.7101 111.4391 58.9114 71.8115 171.1311 94 P 4.4152 0.0000 0.0000 62.7251 31.7486 175.8500 95 G 3.6928 8.5927 108.9742 44.8571 0.0000 171.1241 96 P 5.0182 0.0000 0.0000 60.2031 34.4844 175.8201 97 G 3.5960 8.6891 106.9961 48.5039 0.0000 176.0625 98 G 3.6982 8.0623 106.4021 47.0869 0.0000 175.2260 99 Q 3.9513 7.8332 122.0148 59.3070 29.1419 178.5729 100 A 3.9408 7.9456 120.7088 55.2369 18.2063 179.2768 101 A 3.9845 7.9930 118.7813 55.2109 18.1977 179.6152 102 L 3.8171 8.0079 117.1053 57.9771 41.9811 179.7352 103 R 4.0212 7.9453 117.4185 59.2402 29.8199 178.8451 104 A 3.9919 7.8121 120.0804 55.3648 18.2268 179.7177 105 L 4.0794 7.8521 118.0321 57.1785 40.0611 179.5229 106 A 4.0425 8.0782 121.1796 54.7772 17.9548 179.9535 107 R 3.8966 7.2858 114.4374 59.5198 30.1244 178.7352 108 S 4.5305 7.8979 112.7480 58.4367 62.9227 175.7182 109 G 3.7236 7.6768 110.1031 45.7946 0.0000 174.2753 110 L 3.7343 7.7460 118.4795 55.6634 39.1679 174.0590 111 R 4.6223 7.2962 115.0453 54.6584 32.2140 176.1979 112 I 4.2223 7.7043 122.3834 59.5086 38.5336 175.4903 113 G 3.6500 8.6117 115.7250 46.4274 0.0000 172.5333 114 R 4.2720 8.6894 126.4563 58.8640 30.5460 177.2422 115 I 4.6669 7.4849 116.8975 60.1143 42.2870 173.2425 116 E 5.1701 8.6312 122.2940 54.7964 32.4113 175.3731 117 D 4.8453 8.7940 123.4612 52.5081 44.6739 174.8045 118 V 4.7691 8.1496 123.1898 61.0016 33.6023 175.4583 119 T 4.0974 7.4181 112.2593 60.7809 68.5176 171.7444 120 P 4.2247 0.0000 0.0000 64.6948 32.4977 180.3748 121 V 4.3131 6.5437 120.0700 60.7378 36.7800 169.8137 122 P 5.0525 0.0000 0.0000 62.6422 32.0072 172.8046 123 S 4.3346 8.4236 112.7874 61.2722 66.0251 176.2911 124 D 4.6152 8.9549 117.9376 54.4683 39.2829 176.3348 125 S 3.8749 8.1600 112.7306 57.7232 62.1510 168.4965 126 T 3.1561 7.8646 110.5637 61.2720 66.8721 169.3437 *127 R 3.8735 8.8836 117.4838 55.7714 29.3629 168.8186 *128 K 4.0342 9.9733 115.1298 56.7273 32.8879 174.6313 *129 K 4.6627 7.5801 125.7078 55.9390 32.4534 172.5411 130 G 3.9597 8.2996 105.6533 46.0893 0.0000 173.8567 131 G 4.0284 8.6487 108.4963 47.5875 0.0000 178.1211 *132 R 3.8065 8.0129 123.3743 59.6906 29.6765 182.0170 *133 R 4.1074 8.3587 117.5094 58.9687 29.5558 180.8394 134 G 3.5653 7.8290 108.9453 48.9997 0.0000 175.6546 *135 R 4.0218 7.5729 120.0661 59.5883 29.5269 181.0190 *136 R 4.2309 7.3486 118.7787 55.9859 29.3888 178.9196 *137 L 4.2840 8.4468 120.5886 53.9732 41.0303 175.4388 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 19 I 8.02 4.16 1.88 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 1.45 1.09 0.93 0.00 0.00 20 Y 8.63 3.84 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 21 A 7.78 3.95 1.19 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 22 S 7.89 4.51 0.00 3.91 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 23 F 8.47 4.80 0.00 2.90 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 24 N 9.20 4.71 0.00 2.82 2.67 0.00 0.00 6.84 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 25 D 8.84 4.90 0.00 2.73 2.64 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 26 T 8.74 4.71 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 1.19 0.00 0.00 27 F 8.45 4.62 0.00 3.39 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 28 V 8.18 4.52 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 0.98 0.00 0.00 0.95 0.00 0.00 29 H 8.89 4.87 0.00 3.32 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.02 4.52 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 0.85 0.00 0.00 1.05 0.00 0.00 31 T 8.32 4.78 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 1.23 0.00 0.00 32 D 8.82 4.29 0.00 2.68 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 33 L 7.59 4.15 0.00 1.78 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.88 4.67 0.00 3.99 3.95 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 35 G 8.30 4.33 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 0.00 36 K 8.72 5.02 0.00 1.66 1.75 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 37 E 8.66 5.22 0.00 1.91 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 2.34 2.24 0.00 38 T 8.14 4.62 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 1.22 0.00 0.00 39 I 8.75 3.85 1.90 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 1.38 0.57 0.93 0.00 0.00 40 A 7.60 4.45 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 41 R 8.06 4.77 0.00 1.82 1.89 0.00 3.12 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 42 V 8.40 3.70 1.96 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 0.75 0.00 0.00 0.73 0.00 0.00 43 T 7.77 3.88 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 1.17 0.00 0.00 44 G 7.68 4.03 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 0.00 0.00 0.00 45 G 7.91 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 46 M 8.28 4.68 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 47 K 8.83 4.11 0.00 1.96 1.92 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 48 V 7.14 4.44 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 0.62 0.00 0.00 0.94 0.00 0.00 49 K 8.16 4.99 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.50 7.81 50 A 8.37 4.72 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 51 D 8.45 4.54 0.00 2.62 2.53 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 52 R 8.24 4.11 0.00 1.73 1.76 0.00 3.23 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 1.47 1.57 0.00 53 D 8.79 4.52 0.00 2.67 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 54 E 7.60 3.98 0.00 2.04 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 2.33 2.31 0.00 55 S 7.57 4.60 0.00 3.94 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 56 S 8.54 4.15 0.00 4.03 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 57 P 0.00 4.99 0.00 2.18 2.07 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 58 Y 8.42 4.83 0.00 2.84 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 59 A 8.97 4.46 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 60 A 8.73 4.32 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 61 M 7.34 4.53 0.00 2.04 2.26 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 2.55 2.63 0.00 62 L 7.68 4.35 0.00 1.80 1.63 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.16 3.93 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 64 A 7.49 4.05 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 65 Q 8.73 4.31 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 66 D 8.06 4.36 0.00 2.68 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 67 V 7.80 3.53 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 1.06 0.00 0.00 0.91 0.00 0.00 68 A 7.51 4.03 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 69 A 7.79 3.96 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 70 K 7.80 3.90 0.00 1.78 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.48 7.81 71 C 8.54 4.18 0.00 2.93 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 72 K 7.84 4.11 0.00 1.94 2.02 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 73 E 7.83 3.97 0.00 2.23 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 2.33 2.53 0.00 74 V 7.69 3.71 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 0.84 0.00 0.00 0.97 0.00 0.00 75 G 9.09 3.68 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 0.00 76 I 5.81 3.33 1.95 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 1.54 0.72 0.92 0.00 0.00 77 T 7.86 3.89 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 1.24 0.00 0.00 78 A 8.10 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 79 V 7.49 3.52 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 1.05 0.00 0.00 0.98 0.00 0.00 80 H 9.70 4.82 0.00 3.19 2.38 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.98 3.15 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 0.86 0.00 0.00 0.94 0.00 0.00 82 K 7.51 4.10 0.00 1.78 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.42 7.81 83 I 7.39 3.76 2.04 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 1.43 0.48 0.93 0.00 0.00 84 R 8.08 4.11 0.00 1.90 2.29 0.00 3.13 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 1.62 1.55 0.00 85 A 7.42 4.85 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 86 T 8.41 4.53 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 1.27 0.00 0.00 87 G 8.14 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 0.00 0.00 0.00 88 G 8.82 5.17 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 89 T 8.48 4.83 4.18 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 1.21 0.00 0.00 90 R 8.46 4.79 0.00 1.87 1.81 0.00 3.04 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.39 0.00 91 T 8.03 4.93 3.45 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 1.14 0.00 0.00 92 K 9.23 4.71 0.00 1.58 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.46 7.81 93 T 7.71 4.99 4.38 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 1.33 0.00 0.00 94 P 0.00 4.42 0.00 2.10 2.17 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 95 G 8.59 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 96 P 0.00 5.02 0.00 2.19 2.28 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 97 G 8.69 3.60 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 98 G 8.06 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 99 Q 7.83 3.95 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 100 A 7.95 3.94 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 0.00 101 A 7.99 3.98 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 0.00 102 L 8.01 3.82 0.00 1.86 1.74 0.93 1.20 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 0.00 103 R 7.95 4.02 0.00 2.04 1.96 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 104 A 7.81 3.99 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 0.00 105 L 7.85 4.08 0.00 1.70 1.73 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.08 4.04 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 0.00 107 R 7.29 3.90 0.00 1.92 2.07 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 108 S 7.90 4.53 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 0.00 109 G 7.68 3.72 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 0.00 0.00 0.00 110 L 7.75 3.73 0.00 1.75 1.74 0.88 0.86 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 0.00 111 R 7.30 4.62 0.00 1.77 1.94 0.00 3.08 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 112 I 7.70 4.22 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 1.17 1.12 0.92 0.00 0.00 113 G 8.61 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 0.00 114 R 8.69 4.27 0.00 1.71 1.99 0.00 3.12 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 115 I 7.48 4.67 2.00 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 1.33 0.78 0.90 0.00 0.00 116 E 8.63 5.17 0.00 1.77 1.79 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 2.15 2.27 0.00 117 D 8.79 4.85 0.00 2.53 2.49 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 0.00 118 V 8.15 4.77 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 0.82 0.00 0.00 0.92 0.00 0.00 119 T 7.42 4.10 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 1.22 0.00 0.00 120 P 0.00 4.22 0.00 2.40 2.07 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 121 V 6.54 4.31 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 0.66 0.00 0.00 0.96 0.00 0.00 122 P 0.00 5.05 0.00 2.18 1.91 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 123 S 8.42 4.33 0.00 3.94 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 0.00 124 D 8.95 4.62 0.00 2.77 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 0.00 125 S 8.16 3.87 0.00 4.20 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 0.00 126 T 7.86 3.16 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 *127 R 8.88 3.87 0.00 1.92 2.13 0.00 3.26 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 1.37 1.02 0.00 *128 K 9.97 4.03 0.00 1.77 1.92 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.23 0.75 7.81 *129 K 7.58 4.66 0.00 1.82 1.93 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.04 7.81 130 G 8.30 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 0.00 131 G 8.65 4.03 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 0.00 0.00 0.00 *132 R 8.01 3.81 0.00 1.76 1.95 0.00 3.26 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 *133 R 8.36 4.11 0.00 1.73 1.97 0.00 3.23 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 0.00 134 G 7.83 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.02 0.00 1.95 1.87 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 *136 R 7.35 4.23 0.00 1.65 1.74 0.00 3.23 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 *137 L 8.45 4.28 0.00 1.57 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.