NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.3610 8.3716 117.1845 51.5822 39.3448 172.7315 3 L 3.7878 8.4064 117.2008 55.9478 41.8400 174.4177 4 P 5.0787 0.0000 0.0000 62.4696 32.8646 176.4402 5 T 4.3198 8.3344 111.2561 60.5882 71.6024 175.5379 6 A 4.0304 8.5317 122.6225 55.8056 18.0840 179.9109 7 Q 3.9644 8.0281 115.6854 59.1097 28.7112 178.8075 8 E 3.9061 7.9420 119.3303 59.0704 29.4611 179.3306 9 V 3.1141 7.8240 118.5101 65.9623 31.5844 177.9720 10 Q 4.0874 7.9588 117.4917 59.0959 28.7007 179.3532 11 G 3.5695 7.7921 106.7174 47.6712 0.0000 175.8541 12 L 4.0097 8.1460 121.7903 57.9075 41.2757 179.5651 13 M 4.2241 8.3530 118.5580 58.2440 31.9642 178.7214 14 A 4.0390 8.0801 121.1215 54.9230 18.5257 179.6103 15 R 3.8053 7.9417 117.0277 59.4432 30.1818 178.2269 16 F 4.0015 8.3357 120.4497 61.7248 39.2645 177.3029 17 I 3.4930 7.5554 118.6649 64.1350 36.8518 178.2472 18 E 3.8995 7.9303 119.3283 59.3984 29.2718 179.4825 19 L 3.8534 7.8225 118.8610 57.7675 41.4691 179.7190 20 V 3.3843 7.1534 116.9257 65.7565 31.4243 177.2471 21 D 4.4131 7.9838 117.2771 57.5093 41.2349 178.3958 22 V 3.8671 7.5262 110.8857 61.9357 31.6839 176.8934 23 G 3.7303 8.0731 106.2996 46.6749 0.0000 174.5592 24 D 4.5611 7.7275 120.5786 52.4440 39.9533 175.5247 25 I 3.6488 7.9016 126.2910 64.0339 37.3141 177.4723 26 E 3.9638 8.1282 118.6836 59.2493 29.1304 179.1037 27 A 4.0127 7.7709 120.2601 54.9670 18.6246 179.4842 28 I 3.7124 7.6962 118.3225 64.6630 37.2471 178.6350 29 V 3.6466 7.8638 119.0386 66.3122 31.0366 177.5657 30 Q 4.2065 7.8306 117.3857 58.5065 29.2675 177.2977 31 M 4.2559 8.4683 119.5426 56.6154 32.0190 176.0758 32 F 4.8460 7.4196 116.8760 55.7938 40.8359 175.5621 33 A 4.3676 8.5685 126.1903 51.7114 19.0911 178.8026 34 D 4.4775 8.8084 119.4236 55.6552 39.5763 177.6272 35 D 4.5474 7.8722 117.1279 52.4789 39.9983 175.8061 36 A 4.5140 7.5989 121.3975 53.4306 19.8460 177.4309 37 T 5.0171 8.3938 108.9736 59.8493 72.3552 173.1906 38 V 4.7162 8.9912 122.5549 61.2997 35.2537 174.2547 39 E 4.6417 9.1674 126.3882 54.4521 31.9405 174.0036 40 D 4.9790 8.1470 123.4489 51.7339 44.0607 172.9991 41 P 4.5187 0.0000 0.0000 61.8506 33.0805 175.3827 42 F 4.0156 8.7740 124.6781 59.4155 39.1443 174.8340 43 G 3.5496 7.6344 113.1443 45.4141 0.0000 173.6414 44 Q 4.3070 7.0646 120.2596 53.3367 30.4179 173.4391 45 P 4.2457 0.0000 0.0000 62.1594 31.7963 174.3591 46 P 4.7545 0.0000 0.0000 62.7679 32.6561 175.0823 47 I 4.4980 8.5179 114.5548 59.3570 40.0768 173.8483 48 H 5.1313 8.8399 124.3673 55.3864 32.5925 173.2641 49 G 4.6343 9.1402 112.0310 46.1351 0.0000 174.6444 50 R 3.9177 8.5293 119.6424 59.1187 29.9659 178.9215 51 E 3.9276 8.1359 118.4450 59.6315 29.6966 178.7863 52 Q 4.0691 8.0489 117.3951 59.0591 28.7139 178.9367 53 I 3.7683 7.9128 120.7579 64.0462 37.0116 178.3141 54 A 4.0926 8.4955 121.9729 55.0082 18.2199 179.4083 55 A 3.9551 8.0813 119.3663 55.3124 18.3405 179.4832 56 F 4.0608 8.5153 119.3383 61.7581 39.3587 177.4663 57 F 3.7294 8.5451 117.3684 60.0339 38.4346 177.8734 58 R 3.8595 8.2257 118.3354 59.2855 29.9972 177.7671 59 Q 4.1624 7.9048 118.3619 59.4356 29.0635 178.6105 60 G 3.5198 7.2521 104.7339 46.1860 0.0000 174.2316 61 L 4.0838 7.4732 121.3524 53.9806 42.5945 177.4521 *65 K 4.0872 8.2735 124.7631 56.6754 33.1904 175.1896 66 V 4.8608 7.6044 117.2544 61.0400 34.7098 175.1819 67 R 4.9762 8.7122 121.7083 54.4591 32.8316 173.7835 68 A 5.4837 9.0627 123.3284 50.4378 22.2566 175.0102 69 C 4.8969 8.9940 114.8285 56.3412 33.7480 173.2619 70 L 4.7931 8.6649 121.1097 54.7995 41.8830 176.9634 71 T 4.4764 8.4571 113.1481 60.5826 68.9960 173.8282 72 G 3.9884 7.3605 109.2267 44.8948 0.0000 171.7375 73 P 4.4059 0.0000 0.0000 62.2232 31.8719 176.5074 74 V 3.9575 8.1623 121.0521 62.8245 32.5042 175.3254 75 R 4.5892 9.2991 127.5359 54.9831 31.4708 175.2931 76 A 5.2402 8.6186 125.4468 50.1602 22.1857 175.1214 77 S 4.6595 8.7225 115.8137 57.1311 65.7152 173.6301 78 H 4.7228 8.7721 115.0148 56.2058 28.8539 175.5080 79 N 4.8631 7.6972 115.9989 52.7082 37.6957 175.5964 80 G 3.9681 8.4731 104.6862 47.2064 0.0000 173.1157 81 C 5.4951 7.7988 115.9203 57.9750 31.9880 173.1191 82 G 4.6270 8.6823 106.4291 45.4887 0.0000 171.7798 83 A 5.4908 9.3489 122.3035 50.4498 23.1668 175.1835 84 M 5.2109 9.1898 117.5392 53.3102 35.3577 171.8829 85 P 5.4572 0.0000 0.0000 61.7464 33.9634 174.1639 86 F 5.4577 8.8034 116.7925 56.1389 42.0242 172.5539 87 R 5.0195 9.1342 119.2420 54.4666 33.3843 174.1301 88 V 4.9695 8.7049 124.9229 61.1254 34.8563 173.8309 89 E 5.1579 9.3926 127.6773 55.0629 32.2283 174.7432 90 M 5.2487 8.9110 124.4001 54.1508 35.0136 175.1801 91 V 4.1166 8.2455 117.9656 62.0686 32.2585 174.2009 92 W 4.6030 9.4763 135.0000 56.9530 30.3925 175.6793 93 N 4.0745 9.7653 125.6870 54.2650 34.8729 175.5892 94 G 3.9288 8.0847 110.4094 46.0463 0.0000 171.9425 95 Q 4.3898 8.4581 122.8987 54.3753 30.0963 173.4987 96 P 5.0704 0.0000 0.0000 62.8667 32.5040 175.1369 97 C 5.2515 8.8411 116.8803 56.5409 34.1247 172.2880 98 A 5.2206 8.7823 119.4383 50.0680 22.4747 174.8698 99 L 5.0571 8.6654 122.0324 53.3386 45.4292 174.8059 100 D 5.0519 8.5492 126.4418 52.9968 42.0469 176.1503 101 V 4.6838 8.4222 123.0921 60.9815 35.7951 174.0321 102 I 5.0445 8.4978 124.9549 59.7301 40.5480 174.1284 103 D 5.5927 9.2055 126.8223 52.7412 43.5828 175.5319 104 V 4.9265 8.9962 122.6699 61.4348 34.5122 174.1459 105 M 5.0859 9.1591 127.0228 53.3865 36.1350 174.2492 106 R 4.9673 8.5066 122.7052 54.6658 32.6291 174.8890 107 F 5.1675 9.2011 125.5226 56.2301 41.5117 174.9247 108 D 4.9419 9.0134 121.6356 51.3439 42.4675 177.1214 109 E 4.2891 8.6490 112.0159 57.7571 28.9942 177.3446 110 H 4.7987 8.6137 114.8848 55.3082 30.0097 174.1638 111 G 3.8698 8.5631 107.7753 46.3660 0.0000 173.7203 112 R 4.8105 8.0390 117.2650 53.5986 32.8770 175.4212 113 I 3.5047 8.0583 122.3347 61.7343 37.1969 176.5725 114 Q 4.1120 9.2716 130.3257 58.5355 30.4105 175.5226 115 T 4.9976 7.4024 111.6373 60.7902 71.3703 172.2112 116 M 5.1958 8.8441 126.0904 53.9675 36.0658 173.7499 117 Q 5.0697 9.2013 123.8227 54.0700 32.9252 173.8599 118 A 5.3884 9.0568 126.0112 50.5363 21.9165 174.7902 119 Y 4.8249 9.1851 121.4750 56.4995 39.7805 175.1201 120 W 4.9575 8.4110 120.0418 57.0465 30.7718 173.4598 121 S 4.2829 8.3628 113.8884 57.7966 65.3854 174.9710 122 E 4.2618 8.8058 118.5021 59.3812 29.2191 179.5083 123 V 3.8489 7.6197 111.1717 63.3884 31.9071 176.3524 124 N 4.9276 8.4546 116.4089 52.8311 39.7127 174.1516 125 L 4.8022 7.7147 121.4002 54.4730 43.8138 176.9957 126 S 4.6691 9.0442 120.7616 56.7009 65.4144 174.7795 127 V 4.0443 8.1958 122.6594 61.4769 31.4143 176.3752 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 N 8.37 5.36 0.00 2.76 2.72 0.00 0.00 6.63 6.90 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 3 L 8.41 3.79 0.00 1.65 1.65 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 5.08 0.00 1.82 1.74 0.00 3.76 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 5 T 8.33 4.32 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 1.22 0.00 0.00 6 A 8.53 4.03 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 7 Q 8.03 3.96 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.94 3.91 0.00 2.06 1.85 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 2.26 2.28 0.00 9 V 7.82 3.11 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 1.14 0.00 0.00 0.77 0.00 0.00 10 Q 7.96 4.09 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 11 G 7.79 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 12 L 8.15 4.01 0.00 1.47 1.66 0.22 0.74 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 13 M 8.35 4.22 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.69 0.00 14 A 8.08 4.04 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 15 R 7.94 3.81 0.00 2.01 2.21 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 16 F 8.34 4.00 0.00 3.20 3.29 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 17 I 7.56 3.49 1.94 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.85 0.00 0.00 18 E 7.93 3.90 0.00 2.14 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 2.37 0.00 19 L 7.82 3.85 0.00 1.58 1.51 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.15 3.38 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 0.75 0.00 0.00 0.50 0.00 0.00 21 D 7.98 4.41 0.00 2.85 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 22 V 7.53 3.87 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 0.79 0.00 0.00 0.99 0.00 0.00 23 G 8.07 3.73 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 0.00 0.00 0.00 24 D 7.73 4.56 0.00 2.67 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 25 I 7.90 3.65 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 1.67 0.39 0.94 0.00 0.00 26 E 8.13 3.96 0.00 2.00 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 2.38 0.00 27 A 7.77 4.01 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 28 I 7.70 3.71 1.73 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 1.01 0.64 0.19 0.00 0.00 29 V 7.86 3.65 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 1.04 0.00 0.00 0.99 0.00 0.00 30 Q 7.83 4.21 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 31 M 8.47 4.26 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.62 0.00 32 F 7.42 4.85 0.00 3.23 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 33 A 8.57 4.37 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 34 D 8.81 4.48 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 35 D 7.87 4.55 0.00 2.85 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 36 A 7.60 4.51 1.60 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 37 T 8.39 5.02 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 1.25 0.00 0.00 38 V 8.99 4.72 1.73 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 0.59 0.00 0.00 0.84 0.00 0.00 39 E 9.17 4.64 0.00 1.92 1.72 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 2.08 2.15 0.00 40 D 8.15 4.98 0.00 2.65 2.47 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 0.00 41 P 0.00 4.52 0.00 1.27 0.49 0.00 3.62 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 1.71 1.14 0.00 42 F 8.77 4.02 0.00 2.41 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 43 G 7.63 3.55 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 0.00 44 Q 7.06 4.31 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 45 P 0.00 4.25 0.00 2.14 1.96 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 46 P 0.00 4.75 0.00 2.04 2.02 0.00 3.64 0.00 0.00 3.60 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 47 I 8.52 4.50 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.77 0.67 0.00 0.00 48 H 8.84 5.13 0.00 3.09 3.14 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.14 4.63 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 0.00 0.00 0.00 50 R 8.53 3.92 0.00 1.89 2.04 0.00 3.18 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 51 E 8.14 3.93 0.00 2.05 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 2.39 2.42 0.00 52 Q 8.05 4.07 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 I 7.91 3.77 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 0.67 0.00 0.00 54 A 8.50 4.09 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 55 A 8.08 3.96 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 56 F 8.52 4.06 0.00 3.01 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 57 F 8.55 3.73 0.00 3.25 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 58 R 8.23 3.86 0.00 2.02 1.96 0.00 3.31 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 1.65 1.65 0.00 59 Q 7.90 4.16 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 60 G 7.25 3.52 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 0.00 0.00 0.00 61 L 7.47 4.08 0.00 1.85 1.61 1.15 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.27 4.09 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 7.60 4.86 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 0.89 0.00 0.00 0.90 0.00 0.00 67 R 8.71 4.98 0.00 2.08 1.95 0.00 2.77 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 68 A 9.06 5.48 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 69 C 8.99 4.90 0.00 3.01 3.01 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 0.00 70 L 8.66 4.79 0.00 1.61 1.71 0.96 0.92 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 71 T 8.46 4.48 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 1.32 0.00 0.00 72 G 7.36 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 73 P 0.00 4.41 0.00 2.07 2.01 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 74 V 8.16 3.96 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 0.81 0.00 0.00 0.98 0.00 0.00 75 R 9.30 4.59 0.00 1.96 1.84 0.00 3.22 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 76 A 8.62 5.24 1.16 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 0.00 0.00 77 S 8.72 4.66 0.00 3.83 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 78 H 8.77 4.72 0.00 3.18 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.70 4.86 0.00 2.88 2.90 0.00 0.00 6.95 6.88 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 80 G 8.47 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 81 C 7.80 5.50 0.00 2.88 2.82 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 82 G 8.68 4.63 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 0.00 0.00 0.00 83 A 9.35 5.49 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 84 M 9.19 5.21 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.64 0.00 85 P 0.00 5.46 0.00 2.18 2.25 0.00 3.92 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 2.16 1.99 0.00 86 F 8.80 5.46 0.00 3.31 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 87 R 9.13 5.02 0.00 2.01 1.80 0.00 3.04 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 88 V 8.70 4.97 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 0.91 0.00 0.00 1.12 0.00 0.00 89 E 9.39 5.16 0.00 1.90 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 2.22 2.22 0.00 90 M 8.91 5.25 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 91 V 8.25 4.12 2.12 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 0.82 0.00 0.00 0.95 0.00 0.00 92 W 9.48 4.60 0.00 3.18 3.23 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 93 N 9.77 4.07 0.00 2.51 2.63 0.00 0.00 6.98 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 94 G 8.08 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 95 Q 8.46 4.39 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 96 P 0.00 5.07 0.00 2.14 2.06 0.00 3.77 0.00 0.00 3.91 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 97 C 8.84 5.25 0.00 3.12 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 98 A 8.78 5.22 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 99 L 8.67 5.06 0.00 1.47 1.20 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.55 5.05 0.00 2.60 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.68 0.71 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 1.18 0.00 0.00 0.51 0.00 0.00 102 I 8.50 5.04 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 1.28 0.68 0.98 0.00 0.00 103 D 9.21 5.59 0.00 3.03 2.67 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 0.00 104 V 9.00 4.93 2.24 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 1.01 0.00 0.00 1.02 0.00 0.00 105 M 9.16 5.09 0.00 1.22 1.65 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 106 R 8.51 4.97 0.00 1.83 1.68 0.00 3.07 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 107 F 9.20 5.17 0.00 2.89 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 0.00 108 D 9.01 4.94 0.00 2.75 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 0.00 109 E 8.65 4.29 0.00 2.07 2.17 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 1.96 2.13 0.00 110 H 8.61 4.80 0.00 3.34 3.34 0.00 5.74 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 0.00 111 G 8.56 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 0.00 112 R 8.04 4.81 0.00 2.28 1.86 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 113 I 8.06 3.50 0.93 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.19 0.45 0.00 0.00 114 Q 9.27 4.11 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 115 T 7.40 5.00 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 1.17 0.00 0.00 116 M 8.84 5.20 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 117 Q 9.20 5.07 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 118 A 9.06 5.39 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 0.00 0.00 119 Y 9.19 4.82 0.00 2.97 2.93 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 0.00 120 W 8.41 4.96 0.00 3.31 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 0.00 121 S 8.36 4.28 0.00 3.90 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 0.00 122 E 8.81 4.26 0.00 2.17 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 2.49 2.52 0.00 123 V 7.62 3.85 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 0.70 0.00 0.00 0.99 0.00 0.00 124 N 8.45 4.93 0.00 2.98 2.98 0.00 0.00 6.42 6.04 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 0.00 125 L 7.71 4.80 0.00 1.90 1.63 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.04 4.67 0.00 3.78 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 0.00 127 V 8.20 4.04 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 0.82 0.00 0.00 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.