NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.3403 8.3716 117.1855 51.5406 39.3562 172.8949 3 L 3.8161 8.3887 117.3084 54.4064 41.9245 174.3569 4 P 4.4752 0.0000 0.0000 62.9606 32.7290 176.3335 5 T 4.2476 8.7113 111.6135 60.7243 71.0901 175.5088 6 A 4.0253 8.5203 122.1158 55.8287 18.0396 179.8737 7 Q 3.9530 7.9684 115.6667 58.9319 28.8043 178.5923 8 E 3.8947 7.7143 118.5993 59.1071 29.4795 179.3213 9 V 3.0557 7.9020 118.7043 65.9901 31.6371 178.1129 10 Q 4.1096 7.8835 117.9297 58.8790 28.5889 179.1217 11 G 3.5700 7.8158 106.9299 47.6905 0.0000 175.8842 12 L 4.0273 7.9405 121.5314 57.8847 41.1012 179.5827 13 M 4.2201 8.2064 118.4758 58.2290 31.9005 178.6922 14 A 4.1102 8.0127 120.6693 54.7999 18.4147 179.7255 15 R 3.8059 7.8937 117.4151 59.5925 30.1708 177.7952 16 Y 3.9520 8.1120 119.4109 61.1194 38.7026 178.5613 17 I 3.4814 7.5238 119.2822 63.9030 37.0840 178.0747 18 E 3.8470 7.8213 119.8827 59.3560 29.5249 178.9498 19 L 3.8674 7.9803 119.2536 57.7258 41.4054 179.7385 20 V 3.3855 7.2820 117.2622 65.7194 31.4627 177.2537 21 D 4.4257 7.8782 117.0288 57.5826 41.1864 178.4673 22 V 3.8145 7.4710 111.6721 62.1619 31.5813 177.1786 23 G 3.7638 8.1238 105.5839 46.2602 0.0000 174.3457 24 D 4.5444 7.7660 120.5320 52.4985 40.0505 175.4928 25 I 3.6152 7.9512 126.5329 64.0291 37.2402 177.4976 26 E 3.9809 8.0996 118.6757 59.3269 29.1917 179.0689 27 A 4.0150 7.6401 118.7304 54.9128 18.5901 179.6051 28 I 3.6810 7.6152 118.4444 64.6216 37.1440 178.5704 29 V 3.7217 7.7400 119.0385 66.2916 31.0628 177.2549 30 Q 4.2846 7.7625 116.7296 57.9181 29.2433 177.0503 31 M 4.2256 8.4087 119.4353 57.0702 32.1270 176.1287 32 F 4.7908 7.4020 116.7485 55.9787 40.5969 175.5519 33 A 4.3458 8.7333 126.5907 51.7065 19.0613 178.6867 34 D 4.4861 8.8503 119.6304 55.7406 39.4130 177.7127 35 D 4.9232 7.8434 117.0188 52.4809 39.9964 175.7679 36 A 4.5405 7.8347 121.8197 53.2041 20.0166 177.3686 37 T 5.0376 8.4405 108.9082 59.8225 72.1534 173.1269 38 V 4.7344 8.8613 123.6316 61.1795 35.0843 174.2396 39 E 4.6300 9.0756 126.0651 54.7281 32.3887 174.7731 40 D 4.8225 8.1603 125.1605 52.1205 43.7631 173.0330 41 P 4.4589 0.0000 0.0000 61.8618 32.8727 175.8081 42 F 4.0632 8.4469 124.1083 59.6011 39.7025 175.2466 43 G 3.5876 7.4869 114.1826 45.0862 0.0000 173.4733 44 Q 4.3152 6.8938 119.8460 53.2675 30.3964 173.4378 45 P 4.2256 0.0000 0.0000 62.1898 31.7881 174.3648 46 P 4.7497 0.0000 0.0000 62.8080 32.6132 175.1391 47 I 4.4583 8.4361 114.8579 59.3986 39.9741 173.7971 48 H 5.0971 8.5084 124.2362 55.2777 32.3375 173.0444 49 G 4.1376 8.8446 113.7446 45.6087 0.0000 174.6976 50 R 3.9068 8.5550 120.3312 59.1278 30.0316 179.0128 51 E 3.9296 8.1998 118.3231 59.7470 29.6992 178.9646 52 Q 4.0721 8.0303 117.2220 58.8503 28.7583 178.7510 53 I 3.7780 7.7810 120.9587 64.0905 37.0996 178.2111 54 A 4.1418 8.5208 121.9463 55.1072 18.2643 179.5511 55 A 3.9482 8.0725 119.3406 55.1663 18.1479 179.5045 56 F 4.0509 8.3437 119.1678 61.6848 39.2000 177.4821 57 F 3.8107 8.2744 117.2856 60.2832 38.4586 177.7495 58 R 3.9063 8.0937 117.8681 59.2859 29.9270 177.9520 59 Q 4.1362 7.8483 118.7129 58.7960 29.1727 177.8979 60 G 3.7195 7.3133 103.5285 44.0472 0.0000 173.4595 61 L 4.3174 6.9279 121.5373 53.7556 42.6176 176.6835 *65 K 4.0846 8.4902 123.2536 55.9915 33.3855 175.3000 66 V 4.2198 7.5248 117.6275 62.0693 33.4555 174.5786 67 R 4.8893 8.6208 121.2538 54.3746 32.8003 173.9950 68 A 5.4362 9.4109 127.7250 50.4495 22.2714 174.9019 69 C 4.9025 9.1365 115.8833 56.2272 33.7295 173.3824 70 L 4.7174 8.6842 121.3210 54.9844 41.7816 176.9779 71 T 4.4345 8.3386 113.0573 60.6744 69.1108 173.9156 72 G 3.9900 7.3019 109.6075 44.6554 0.0000 171.5530 73 P 4.4317 0.0000 0.0000 62.2628 31.9327 176.0474 74 V 4.0192 8.1472 120.0108 62.8962 32.3315 175.2672 75 R 4.6011 9.2957 127.5709 55.0964 31.5490 175.3831 76 A 5.1396 8.5140 124.9028 50.3175 22.4422 175.3137 77 S 4.6546 8.3081 115.6044 57.2624 65.6690 173.5441 78 H 4.6895 8.7785 115.1742 56.3702 28.8916 175.4279 79 N 4.8321 7.8007 116.2017 52.6474 37.5581 175.8389 80 G 3.9703 8.4659 105.2459 46.6866 0.0000 173.0750 81 C 5.3966 7.7376 116.5717 58.2237 31.3664 172.8987 82 G 4.6496 8.7546 106.5554 45.5101 0.0000 171.7640 83 A 5.4598 9.1030 122.0843 50.5769 23.2824 175.2384 84 M 5.2047 9.0883 117.8543 53.3401 35.3318 171.9638 85 P 5.4167 0.0000 0.0000 61.8740 33.9580 174.1880 86 F 5.3285 8.7895 116.2881 56.0498 42.0623 172.6036 87 R 5.0263 9.0935 119.2403 54.4721 33.3746 174.1053 88 V 4.9924 8.7908 125.0890 61.1424 34.7604 173.7791 89 E 5.1754 9.4908 127.6871 54.9827 32.1944 175.1422 90 M 5.1350 8.8567 121.2025 54.0223 35.5681 174.0757 91 V 4.6286 8.2799 117.7531 61.4131 33.8370 174.5638 92 W 4.6824 9.6839 135.0000 56.9937 31.2752 176.2485 93 N 4.3830 10.2114 125.7438 54.3909 35.5195 174.6556 94 G 4.0352 8.3379 105.5924 44.9477 0.0000 172.9373 95 Q 4.6211 7.6828 121.4967 53.7567 30.8969 172.9780 96 P 5.0373 0.0000 0.0000 62.9324 32.6037 174.9847 97 C 5.5061 9.4283 120.5155 56.9334 32.8314 172.3618 98 A 5.1688 8.2253 119.3732 50.6432 22.5851 175.0303 99 L 4.9772 8.8888 122.5130 53.5098 45.6062 174.6779 100 D 5.1238 8.6994 126.5571 53.0674 42.1801 176.1856 101 V 4.7242 8.4305 122.5303 61.1313 35.9598 173.8867 102 I 5.0759 8.5855 125.1789 59.7438 40.4263 174.1568 103 D 5.6023 9.0974 126.5959 52.7617 43.5925 175.5789 104 V 4.9369 8.9683 122.5052 61.4722 34.4444 174.2195 105 M 5.2602 9.1741 126.6495 53.4172 36.4535 174.2072 106 R 5.0067 8.4205 121.5469 54.7032 32.8956 174.6498 107 F 5.1782 9.2555 125.4955 56.2889 41.3662 175.1617 108 D 4.9476 8.9476 122.1940 51.4395 42.3068 177.0450 109 E 4.1424 8.7600 113.1304 58.1357 29.0946 177.3740 110 H 4.7937 8.6689 115.0435 55.2707 30.2849 174.3029 111 G 3.9361 8.9658 107.9243 45.8269 0.0000 173.6194 112 R 4.8047 7.9264 117.5365 53.7804 32.7136 175.3181 113 I 3.6080 8.3260 122.3753 61.6208 37.2982 176.4960 114 Q 4.1972 9.1631 129.4998 57.9850 30.7716 175.3251 115 T 5.0478 7.4525 111.7824 60.7330 71.3453 172.2754 116 M 5.3553 8.8639 126.0824 54.0597 36.2947 173.7228 117 Q 5.0462 9.1217 123.1319 54.1001 33.3659 173.7456 118 A 5.3580 8.9701 125.4449 50.4232 22.1240 174.5256 119 Y 4.8540 9.0040 121.2903 56.2813 39.8754 175.1703 120 W 4.8143 8.2365 120.3831 57.1345 30.6246 173.4967 121 S 4.2779 8.4112 113.4175 57.7476 65.2716 174.8411 122 E 4.1748 8.8910 118.4520 59.7645 29.2164 179.6257 123 V 3.8363 7.4993 110.2616 63.4902 31.8809 176.3459 124 N 4.9229 8.5705 116.7343 52.8206 39.7209 173.7474 125 L 5.0346 7.7883 121.4779 53.7998 43.8405 176.5669 126 S 4.7590 9.2280 122.9516 56.5100 64.3828 174.8378 127 V 4.0252 8.1565 122.6922 61.4861 31.4779 176.4483 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 5.34 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 8.39 3.82 0.00 1.66 1.64 1.04 0.63 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 4 P 0.00 4.48 0.00 1.91 1.81 0.00 3.82 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 1.72 1.48 0.00 5 T 8.71 4.25 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 1.19 0.00 0.00 6 A 8.52 4.03 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 7 Q 7.97 3.95 0.00 2.08 2.13 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 2.43 0.00 8 E 7.71 3.89 0.00 2.12 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 2.24 0.00 9 V 7.90 3.06 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 1.09 0.00 0.00 0.69 0.00 0.00 10 Q 7.88 4.11 0.00 2.19 2.12 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 2.48 2.53 0.00 11 G 7.82 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 7.94 4.03 0.00 1.44 1.78 0.32 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.21 4.22 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.71 0.00 14 A 8.01 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.81 0.00 1.93 2.16 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 1.63 1.61 0.00 16 Y 8.11 3.95 0.00 3.21 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 17 I 7.52 3.48 1.83 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.84 0.00 0.00 18 E 7.82 3.85 0.00 2.23 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 2.27 2.36 0.00 19 L 7.98 3.87 0.00 1.59 1.50 0.85 0.91 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 20 V 7.28 3.39 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 0.77 0.00 0.00 0.43 0.00 0.00 21 D 7.88 4.43 0.00 2.88 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 22 V 7.47 3.81 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 0.78 0.00 0.00 0.98 0.00 0.00 23 G 8.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.54 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 7.95 3.62 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 1.63 0.89 0.94 0.00 0.00 26 E 8.10 3.98 0.00 2.00 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 2.40 2.37 0.00 27 A 7.64 4.01 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 28 I 7.62 3.68 1.68 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.55 0.08 0.00 0.00 29 V 7.74 3.72 2.25 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 1.06 0.00 0.00 1.02 0.00 0.00 30 Q 7.76 4.28 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.41 4.23 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 32 F 7.40 4.79 0.00 3.20 3.03 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 33 A 8.73 4.35 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 8.85 4.49 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 7.84 4.92 0.00 2.88 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 7.83 4.54 1.61 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 37 T 8.44 5.04 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 1.25 0.00 0.00 38 V 8.86 4.73 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 0.71 0.00 0.00 0.76 0.00 0.00 39 E 9.08 4.63 0.00 1.90 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 2.08 2.15 0.00 40 D 8.16 4.82 0.00 2.59 2.33 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 41 P 0.00 4.46 0.00 1.34 0.49 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.28 0.00 42 F 8.45 4.06 0.00 2.36 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 0.00 0.00 0.00 0.00 43 G 7.49 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.89 4.32 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 45 P 0.00 4.23 0.00 2.13 1.95 0.00 3.69 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 1.89 1.88 0.00 46 P 0.00 4.75 0.00 2.03 2.01 0.00 3.62 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 1.92 1.90 0.00 47 I 8.44 4.46 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.79 0.63 0.00 0.00 48 H 8.51 5.10 0.00 3.13 3.16 0.00 6.02 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 8.84 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 50 R 8.55 3.91 0.00 1.89 2.04 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 51 E 8.20 3.93 0.00 2.04 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 0.00 2.40 2.43 0.00 52 Q 8.03 4.07 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 7.78 3.78 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.68 0.00 0.00 54 A 8.52 4.14 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 55 A 8.07 3.95 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 56 F 8.34 4.05 0.00 2.98 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 57 F 8.27 3.81 0.00 3.24 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 58 R 8.09 3.91 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 Q 7.85 4.14 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 60 G 7.31 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 61 L 6.93 4.32 0.00 1.61 1.62 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.49 4.08 0.00 1.81 1.83 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 66 V 7.52 4.22 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 0.81 0.00 0.00 0.90 0.00 0.00 67 R 8.62 4.89 0.00 1.92 1.72 0.00 3.09 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 68 A 9.41 5.44 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 69 C 9.14 4.90 0.00 3.00 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 70 L 8.68 4.72 0.00 1.61 1.72 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.34 4.43 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 1.27 0.00 0.00 72 G 7.30 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 4.43 0.00 2.20 2.08 0.00 3.79 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 2.00 1.96 0.00 74 V 8.15 4.02 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 0.83 0.00 0.00 0.97 0.00 0.00 75 R 9.30 4.60 0.00 1.95 1.83 0.00 3.24 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.51 5.14 1.14 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 77 S 8.31 4.65 0.00 3.88 3.88 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 0.00 0.00 0.00 78 H 8.78 4.69 0.00 3.18 3.37 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 7.80 4.83 0.00 2.87 2.90 0.00 0.00 6.99 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 7.74 5.40 0.00 2.90 2.86 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 0.00 0.00 0.00 82 G 8.75 4.65 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 83 A 9.10 5.46 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 84 M 9.09 5.20 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 85 P 0.00 5.42 0.00 2.18 2.24 0.00 3.94 0.00 0.00 3.93 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 8.79 5.33 0.00 3.49 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 87 R 9.09 5.03 0.00 2.02 1.81 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 1.53 1.52 0.00 88 V 8.79 4.99 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 1.04 0.00 0.00 1.13 0.00 0.00 89 E 9.49 5.18 0.00 1.89 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 0.00 2.23 2.23 0.00 90 M 8.86 5.14 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 91 V 8.28 4.63 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 0.83 0.00 0.00 0.95 0.00 0.00 92 W 9.68 4.68 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 93 N 10.21 4.38 0.00 2.38 2.67 0.00 0.00 7.32 7.65 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 94 G 8.34 4.04 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 0.00 0.00 0.00 95 Q 7.68 4.62 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 96 P 0.00 5.04 0.00 2.14 2.06 0.00 3.75 0.00 0.00 3.66 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 97 C 9.43 5.51 0.00 2.90 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 98 A 8.23 5.17 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 99 L 8.89 4.98 0.00 1.48 1.21 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.70 5.12 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 8.43 4.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.47 0.00 0.00 102 I 8.59 5.08 1.97 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 0.54 0.98 0.00 0.00 103 D 9.10 5.60 0.00 3.02 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 8.97 4.94 2.25 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 1.03 0.00 0.00 1.03 0.00 0.00 105 M 9.17 5.26 0.00 1.34 1.65 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 106 R 8.42 5.01 0.00 1.85 1.69 0.00 3.08 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 107 F 9.26 5.18 0.00 2.91 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 0.00 108 D 8.95 4.95 0.00 2.74 2.86 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 0.00 0.00 0.00 109 E 8.76 4.14 0.00 2.04 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 0.00 2.02 2.18 0.00 110 H 8.67 4.79 0.00 3.28 3.34 0.00 5.89 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 8.97 3.94 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 0.00 0.00 0.00 112 R 7.93 4.80 0.00 2.22 1.93 0.00 3.31 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 113 I 8.33 3.61 1.01 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.34 0.58 0.00 0.00 114 Q 9.16 4.20 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 115 T 7.45 5.05 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 1.20 0.00 0.00 116 M 8.86 5.36 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 117 Q 9.12 5.05 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 118 A 8.97 5.36 1.61 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 0.00 119 Y 9.00 4.85 0.00 2.96 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 0.00 120 W 8.24 4.81 0.00 3.36 3.08 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 0.00 0.00 0.00 0.00 121 S 8.41 4.28 0.00 3.90 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 0.00 122 E 8.89 4.17 0.00 2.17 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 0.00 2.48 2.52 0.00 123 V 7.50 3.84 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 0.70 0.00 0.00 0.99 0.00 0.00 124 N 8.57 4.92 0.00 3.01 3.00 0.00 0.00 6.37 6.33 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 0.00 125 L 7.79 5.03 0.00 1.74 1.79 1.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.23 4.76 0.00 3.78 3.78 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 0.00 127 V 8.16 4.03 2.29 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 0.79 0.00 0.00 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.