NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.8685 8.4293 117.8352 54.7621 30.1932 172.6964 3 P 4.4651 0.0000 0.0000 62.6959 32.2802 172.2958 4 E 4.9389 9.1841 120.8359 54.3256 34.2024 175.9653 5 L 3.6099 8.6843 125.9953 55.1460 41.8690 176.4747 6 K 4.2770 8.6220 127.8329 58.9915 32.9796 177.1859 7 S 4.5458 7.3023 111.8680 57.8905 65.8555 174.4371 8 S 4.8900 7.8329 113.4857 57.0970 66.7444 173.3146 9 V 4.3291 8.6364 120.6284 60.5293 34.1363 173.2069 10 P 4.3816 0.0000 0.0000 62.3365 31.5667 176.3411 11 Q 4.0685 8.5179 121.1776 54.6772 29.8014 175.3283 12 A 4.2524 7.9223 126.1970 53.7681 18.8139 177.0473 13 D 4.5597 9.4014 121.2557 55.5402 39.1070 173.8907 14 S 4.9908 7.7862 111.1660 56.5892 66.5201 172.3782 15 A 5.3265 8.5166 121.6317 50.4510 20.8520 175.9077 16 V 4.6596 9.0854 115.0273 59.3021 36.7610 175.0371 17 A 4.7570 8.8276 122.8491 50.7960 19.3070 177.3992 18 A 3.8945 8.7247 122.3637 52.1790 18.6489 176.2103 19 P 4.5132 0.0000 0.0000 62.4026 32.3958 176.6612 20 E 4.1203 8.6553 120.2611 59.0991 29.7799 176.7093 21 K 4.6681 7.4774 114.9295 56.0012 35.8441 175.1012 22 I 4.5374 8.8935 122.1921 59.6302 39.6622 174.4371 23 Q 4.7915 9.1679 129.1707 54.3391 31.3476 173.9411 24 L 4.6891 8.4924 125.9354 52.9915 44.6220 174.7802 25 N 5.0869 8.5490 122.1467 51.4971 40.7810 174.4985 26 F 5.1742 8.9167 122.7782 55.5474 41.7046 175.8934 27 S 4.4937 8.8888 113.8379 60.0204 63.3484 174.0144 28 E 4.8899 7.9969 119.2194 54.0949 34.0887 174.8551 29 N 4.5978 8.7912 118.9176 53.6160 39.2204 174.9510 30 L 4.5952 8.3394 122.7115 54.1658 43.1985 177.6383 31 T 4.2736 8.6909 120.4874 61.4859 67.4073 175.4300 32 V 3.5982 7.9826 126.3594 65.4685 31.8882 178.3342 33 K 3.9146 7.8540 117.4091 59.0286 32.3134 177.0436 34 F 5.2044 7.9173 116.1173 57.4590 39.8711 175.3925 35 S 4.8639 7.9487 115.6193 56.7109 65.7125 172.8158 36 G 4.1173 8.6065 107.0738 47.1611 0.0000 171.7174 37 A 5.3306 8.3236 119.2824 51.0988 21.9532 175.8715 38 K 4.7729 9.2593 118.3722 55.0513 36.7654 174.8751 39 L 5.1901 8.4837 122.3541 53.5642 45.1062 174.2062 40 T 4.8233 8.6244 124.6382 63.1715 72.2005 176.1566 *42 T 4.2148 8.8763 115.6126 62.3153 70.7675 173.5487 43 G 3.8021 7.1703 110.1330 44.3929 0.0000 171.6321 *45 K 4.1266 8.3694 119.5527 57.4551 32.7149 175.6266 46 G 3.8852 8.7002 115.0443 45.9047 0.0000 172.9439 *48 S 4.2066 7.7311 112.2157 57.6973 63.1303 173.4917 49 S 4.4374 8.5260 117.2629 59.4955 63.3342 174.1889 50 H 4.9071 8.0587 118.4963 55.9035 29.6396 174.6265 51 S 4.6685 7.8046 112.3073 55.8678 63.2665 172.5791 52 P 4.3273 0.0000 0.0000 62.0302 31.6680 174.4153 *54 P 4.2232 0.0000 0.0000 62.8821 32.6467 176.4444 55 V 4.4047 8.5297 123.0824 60.6977 33.3526 175.2420 56 A 4.2580 8.8642 130.5024 52.7864 19.2771 175.9417 57 A 5.1267 8.3537 121.7540 50.8594 22.7187 175.3657 58 K 4.6980 9.0793 118.0976 55.0897 36.0262 175.2408 59 V 4.9841 8.4579 121.2951 61.2909 33.4238 174.4825 60 A 4.9899 8.8531 128.7400 49.1416 22.2658 174.0053 61 P 4.3786 0.0000 0.0000 62.7236 32.3342 176.6221 62 G 4.1054 8.7209 110.6128 43.7262 0.0000 173.9076 63 A 4.0281 8.4415 121.8866 54.5631 18.6689 177.7228 64 D 4.6615 7.8649 116.0048 52.5285 42.1463 175.3028 65 P 4.2563 0.0000 0.0000 64.9226 31.6518 177.5022 66 K 4.7881 9.2309 117.1313 55.4214 32.5110 176.0742 67 S 5.4568 7.9572 114.6983 55.5015 65.6953 172.5174 *69 V 4.1503 8.0165 117.8717 63.4705 33.0859 175.1700 70 I 4.8292 8.8841 127.7403 59.7327 39.5495 174.5057 71 I 4.8178 8.7807 129.1777 58.5273 39.0957 173.6542 72 P 4.7041 0.0000 0.0000 63.1244 31.7893 176.4981 73 R 4.6498 8.9558 120.7054 56.1725 30.6442 175.7287 74 E 4.7556 7.7917 115.9541 53.6099 32.8694 173.2521 75 P 4.3909 0.0000 0.0000 62.6450 31.8780 176.8187 76 L 4.6220 7.9898 120.5637 52.2360 41.6792 174.9956 77 P 4.4718 0.0000 0.0000 61.6444 32.1165 176.4826 78 A 4.2360 8.6799 122.2272 51.8303 18.9873 177.8562 79 G 3.8295 7.7761 107.1682 47.0358 0.0000 170.6685 80 T 5.0502 7.6245 116.4748 62.0297 70.9921 173.9082 81 Y 4.7096 8.6315 122.5687 55.9812 42.4380 174.2593 82 R 4.9457 9.0069 122.9193 54.5063 33.3221 174.2898 83 V 4.7862 8.6190 126.5744 61.3316 33.7538 173.7942 84 D 5.5212 9.0494 128.1677 52.2320 43.5116 175.3992 85 W 5.5835 8.6883 120.0844 54.6875 32.3559 174.4147 86 R 5.1158 9.5434 120.6857 54.8494 32.7864 173.5211 87 A 4.8850 9.7748 128.6339 50.0041 22.1183 174.7801 88 V 4.7219 8.5286 121.6635 61.2206 35.3714 175.2363 89 S 5.0201 8.3881 121.7517 56.2066 65.6658 174.2888 90 S 4.3195 8.6894 113.6988 61.8024 62.4624 175.3628 91 D 4.4186 7.6896 118.4935 55.4925 40.8483 176.0130 92 T 3.4326 8.1697 115.1288 65.1318 66.0644 172.0704 93 H 4.6633 8.0461 119.4128 53.3641 32.1838 170.7387 94 P 4.6576 0.0000 0.0000 62.8644 32.1032 175.9308 95 I 4.7786 8.9567 124.7655 59.6719 40.3659 174.7456 96 T 4.7615 7.5851 115.7169 59.2014 72.0175 172.7435 97 G 3.4074 6.3131 107.9369 45.9988 0.0000 171.2767 98 N 6.0090 8.7307 115.5278 53.3514 39.9809 173.1015 99 Y 5.0566 8.1757 116.5181 56.7371 41.6877 173.1237 100 T 5.3581 8.8396 115.9182 62.0534 72.6037 173.0431 101 F 5.4709 8.7942 117.8860 56.1423 42.0436 173.0892 102 T 5.1596 9.4002 116.2438 61.8772 72.1818 173.1660 103 V 5.0692 9.0702 125.2903 61.1219 34.0028 175.7900 104 K 4.3410 9.0913 126.4265 57.1478 32.8130 175.9832 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 H 8.43 4.87 0.00 3.22 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.47 0.00 2.07 2.02 0.00 3.81 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 2.05 2.07 0.00 4 E 9.18 4.94 0.00 1.98 1.91 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 2.33 2.47 0.00 5 L 8.68 3.61 0.00 0.85 1.45 -0.21 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.62 4.28 0.00 1.62 1.74 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.54 7.81 7 S 7.30 4.55 0.00 3.69 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 8 S 7.83 4.89 0.00 3.82 3.63 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 9 V 8.64 4.33 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 0.80 0.00 0.00 0.84 0.00 0.00 10 P 0.00 4.38 0.00 1.24 1.63 0.00 3.23 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.70 0.00 11 Q 8.52 4.07 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 12 A 7.92 4.25 1.13 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 13 D 9.40 4.56 0.00 2.83 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 14 S 7.79 4.99 0.00 3.95 4.01 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 15 A 8.52 5.33 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 16 V 9.09 4.66 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 1.01 0.00 0.00 17 A 8.83 4.76 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 18 A 8.72 3.89 1.28 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 0.00 0.00 0.00 19 P 0.00 4.51 0.00 2.27 1.91 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 20 E 8.66 4.12 0.00 1.96 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 2.30 2.28 0.00 21 K 7.48 4.67 0.00 1.84 1.72 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 22 I 8.89 4.54 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.62 0.95 0.00 0.00 23 Q 9.17 4.79 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 24 L 8.49 4.69 0.00 1.69 1.13 1.11 0.76 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 25 N 8.55 5.09 0.00 2.49 2.58 0.00 0.00 6.41 8.99 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 26 F 8.92 5.17 0.00 2.93 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 27 S 8.89 4.49 0.00 3.92 4.01 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 28 E 8.00 4.89 0.00 1.88 1.84 0.00 0.00 0.00 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 2.29 0.00 29 N 8.79 4.60 0.00 2.71 2.75 0.00 0.00 6.92 7.85 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 30 L 8.34 4.60 0.00 1.58 1.50 0.90 0.20 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 31 T 8.69 4.27 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 0.80 0.00 0.00 32 V 7.98 3.60 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 1.08 0.00 0.00 0.90 0.00 0.00 33 K 7.85 3.91 0.00 1.74 1.76 0.00 1.17 0.00 0.00 1.39 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.21 7.81 34 F 7.92 5.20 0.00 3.04 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 35 S 7.95 4.86 0.00 3.83 3.92 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 36 G 8.61 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.32 5.33 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 38 K 9.26 4.77 0.00 1.78 1.89 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 39 L 8.48 5.19 0.00 1.81 1.57 1.08 0.70 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 40 T 8.62 4.82 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 *42 T 8.88 4.21 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 1.12 0.00 0.00 43 G 7.17 3.80 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 0.00 0.00 0.00 *45 K 8.37 4.13 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 46 G 8.70 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 *48 S 7.73 4.21 0.00 3.87 3.81 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 49 S 8.53 4.44 0.00 3.93 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 50 H 8.06 4.91 0.00 3.10 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.80 4.67 0.00 3.77 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 52 P 0.00 4.33 0.00 2.13 2.06 0.00 3.88 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 1.96 1.96 0.00 *54 P 0.00 4.22 0.00 1.99 2.07 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 1.92 2.09 0.00 55 V 8.53 4.40 2.27 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 0.83 0.00 0.00 1.10 0.00 0.00 56 A 8.86 4.26 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 57 A 8.35 5.13 1.26 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 58 K 9.08 4.70 0.00 1.80 1.89 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.35 7.81 59 V 8.46 4.98 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 0.86 0.00 0.00 0.99 0.00 0.00 60 A 8.85 4.99 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 61 P 0.00 4.38 0.00 2.08 2.05 0.00 3.76 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 1.98 1.96 0.00 62 G 8.72 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 0.00 0.00 0.00 0.00 63 A 8.44 4.03 1.28 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 0.00 0.00 0.00 64 D 7.86 4.66 0.00 2.68 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 65 P 0.00 4.26 0.00 2.38 2.08 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 66 K 9.23 4.79 0.00 1.89 2.06 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.43 7.81 67 S 7.96 5.46 0.00 4.10 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 *69 V 8.02 4.15 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 1.11 0.00 0.00 0.96 0.00 0.00 70 I 8.88 4.83 1.91 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 1.30 0.82 0.96 0.00 0.00 71 I 8.78 4.82 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 1.29 0.62 0.91 0.00 0.00 72 P 0.00 4.70 0.00 2.27 2.05 0.00 3.88 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 1.98 1.98 0.00 73 R 8.96 4.65 0.00 1.80 2.01 0.00 3.13 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 74 E 7.79 4.76 0.00 2.03 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 2.19 2.35 0.00 75 P 0.00 4.39 0.00 2.09 2.04 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 76 L 7.99 4.62 0.00 1.54 1.36 0.82 0.89 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 77 P 0.00 4.47 0.00 2.11 2.03 0.00 3.92 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 2.09 2.14 0.00 78 A 8.68 4.24 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 79 G 7.78 3.83 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 0.00 0.00 0.00 80 T 7.62 5.05 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 1.11 0.00 0.00 81 Y 8.63 4.71 0.00 1.60 2.41 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 82 R 9.01 4.95 0.00 1.74 1.68 0.00 3.03 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 83 V 8.62 4.79 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 1.02 0.00 0.00 0.90 0.00 0.00 84 D 9.05 5.52 0.00 2.61 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 85 W 8.69 5.58 0.00 3.58 3.30 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 86 R 9.54 5.12 0.00 1.90 1.99 0.00 3.07 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 87 A 9.77 4.89 0.60 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 88 V 8.53 4.72 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 1.17 0.00 0.00 1.09 0.00 0.00 89 S 8.39 5.02 0.00 4.04 4.01 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 90 S 8.69 4.32 0.00 4.02 4.07 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 91 D 7.69 4.42 0.00 2.84 2.88 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 92 T 8.17 3.43 4.29 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 1.21 0.00 0.00 93 H 8.05 4.66 0.00 3.06 2.97 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.66 0.00 1.96 1.98 0.00 3.50 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 95 I 8.96 4.78 2.22 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 1.21 0.00 0.00 96 T 7.59 4.76 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 1.13 0.00 0.00 97 G 6.31 3.41 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 0.00 98 N 8.73 6.01 0.00 2.73 2.76 0.00 0.00 6.20 7.55 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 99 Y 8.18 5.06 0.00 3.15 3.22 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 0.00 100 T 8.84 5.36 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 1.23 0.00 0.00 101 F 8.79 5.47 0.00 3.29 3.36 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 0.00 102 T 9.40 5.16 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 1.30 0.00 0.00 103 V 9.07 5.07 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 1.15 0.00 0.00 1.04 0.00 0.00 104 K 9.09 4.34 0.00 1.83 1.87 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.