NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2318 8.1727 120.1603 57.1614 35.2728 174.9617 2 V 4.2222 8.3180 116.2184 61.6835 29.8975 175.8031 3 F 4.5370 8.6521 125.3896 55.7047 42.6698 173.6085 4 E 4.6706 8.6138 119.3203 55.5276 31.8475 176.1805 5 R 2.5100 7.9451 116.9709 59.4348 29.8983 179.2017 6 C 4.1737 7.8864 117.7984 59.4800 39.9977 174.8991 7 E 3.6794 7.9592 120.5052 59.1282 29.2210 178.2469 8 L 3.9988 7.4194 119.0936 58.0670 42.1652 178.7670 9 A 4.0137 7.6304 120.0524 55.5296 18.4241 179.9637 10 R 3.9123 7.6890 116.4621 59.2299 29.7108 179.4185 11 T 3.7357 8.2936 116.1476 66.7667 68.4443 176.6673 12 L 3.8821 8.0032 120.7645 57.3738 41.1045 179.4736 13 K 4.3644 7.8240 120.8945 59.0020 31.8869 179.1360 14 R 3.9275 8.2534 117.9406 59.1405 30.0012 178.6454 15 L 4.1388 7.2835 117.7022 56.3283 41.7101 177.8327 16 G 3.9966 6.9835 104.8444 45.6929 0.0000 174.6552 17 M 3.4697 7.9516 121.0231 56.5920 32.2358 175.9080 18 D 4.1269 7.7813 118.4671 54.5097 39.2351 176.3923 19 G 4.4283 8.5894 115.1240 46.7035 0.0000 171.5268 20 Y 4.3862 7.5508 118.6588 56.4223 41.1290 174.8200 21 R 3.4356 8.9260 123.5059 57.1446 28.6218 177.0645 22 G 4.0435 8.4483 105.4312 44.7668 0.0000 174.3996 23 I 4.4827 7.6622 120.5491 60.1810 38.9671 174.9580 24 S 5.1860 8.3659 116.5000 56.3726 65.3876 174.9036 25 L 4.0878 8.5493 122.3663 58.2337 41.6518 178.8509 26 A 4.1427 8.3247 120.4717 55.7071 17.9552 179.2491 27 N 4.4611 8.4305 114.1126 56.0957 38.6859 177.8872 28 W 4.3527 8.5739 120.2187 60.0636 29.2847 178.3801 29 M 4.4329 9.3710 119.8730 58.4756 30.0094 176.3782 30 C 3.5908 8.0164 114.3921 57.9259 40.3980 175.9032 31 L 3.8953 7.6674 122.5329 57.9090 41.7866 178.6320 32 A 3.7912 7.8066 120.1358 54.6644 18.3224 179.5472 33 K 2.4800 7.5755 117.9597 59.0382 32.0547 178.7331 34 W 4.2160 7.0990 114.9135 58.1433 29.3411 178.3062 35 E 3.7607 8.0427 119.4164 58.6669 29.2223 177.7864 36 S 4.3524 7.5781 110.4201 57.2881 66.1456 174.0122 37 G 3.9963 7.9188 107.3995 47.3116 0.0000 173.2488 38 Y 3.7955 6.9217 109.0607 59.2240 36.3283 170.7121 39 N 5.5464 7.6494 116.7048 52.1183 41.5890 174.8479 40 T 4.2341 8.8872 123.3198 66.7571 68.7901 177.1882 41 R 4.4562 8.3289 117.4323 57.4976 30.0704 176.6592 42 A 4.2123 8.0496 121.4318 52.4766 19.2445 176.5632 43 T 4.6209 8.2295 112.0954 60.1236 71.9396 173.0328 44 N 5.0292 8.7862 123.4153 52.7203 41.7301 172.8123 45 Y 5.1280 8.6010 119.6208 56.0335 41.5284 174.2129 46 N 5.1555 8.8839 115.8831 51.5485 40.7340 174.8688 47 A 4.5515 8.6528 123.7541 50.4705 18.0963 176.7296 48 G 3.8812 8.4602 111.6321 46.7290 0.0000 171.6749 49 D 4.8076 7.9542 118.5527 52.5486 42.9665 177.2518 50 R 4.0620 8.4425 116.4440 57.0491 27.4377 176.6731 51 S 4.5951 7.6288 111.8838 56.9442 63.8416 171.8053 52 T 4.5268 8.1143 123.8109 62.7118 70.6045 173.4098 53 D 5.1190 8.8412 127.0226 54.5334 42.5187 175.0909 54 Y 4.6417 9.7688 121.0834 56.6824 42.0690 174.4924 55 G 4.5927 8.3814 109.0437 44.4240 0.0000 174.5976 56 I 4.4661 8.3196 118.5386 63.0287 38.0827 176.3858 57 F 4.4103 8.4414 116.7228 56.2830 38.9039 175.6089 58 Q 3.3501 7.5571 118.9478 56.6774 25.7541 170.9615 59 I 4.7376 8.1175 118.3698 59.1813 39.1046 175.0671 60 N 5.0272 9.3183 124.5908 52.9228 39.7934 174.9524 61 S 5.4273 8.6988 114.6457 57.8939 63.2076 174.9957 62 R 4.4503 8.2189 119.6924 55.8825 32.5218 175.7955 63 Y 3.9822 7.9860 115.7569 56.7827 40.0997 174.8412 64 W 5.3528 8.2825 115.9918 58.7306 32.2895 173.7765 65 C 5.2241 8.1560 111.5864 54.0079 39.9950 171.4261 66 N 4.9597 8.4034 116.9552 51.8951 40.1228 175.0989 67 D 4.1605 9.1478 127.6635 55.4230 41.0388 178.6611 68 G 4.7941 6.1365 117.0237 46.2375 0.0000 174.8214 69 K 4.4906 7.5450 119.8023 55.8600 33.5178 176.5110 70 T 4.3966 7.6850 117.6536 62.4211 68.9929 174.1423 71 P 4.3434 0.0000 0.0000 65.4834 31.7322 178.3281 72 G 3.4939 8.0494 106.5908 47.4559 0.0000 173.2071 73 A 3.9510 7.4552 121.0577 51.9890 18.2772 177.7628 74 V 3.6463 7.9320 122.4014 61.7313 32.0591 175.7991 75 N 4.1614 8.0541 117.3118 54.4084 35.8425 176.0738 76 A 4.0742 8.2332 121.8631 55.7734 18.9721 180.6585 77 C 4.4034 8.8523 111.9269 58.2876 40.9897 173.0530 78 H 3.9145 7.9491 117.7349 55.6197 27.6040 172.0745 79 L 4.2967 6.9242 119.5815 55.6317 43.2853 173.2836 80 S 4.9125 8.2995 112.7543 57.2628 63.6731 176.1640 81 C 4.3489 8.4098 125.3129 60.1057 34.6078 176.1207 82 S 4.2229 7.9876 114.1410 61.5469 61.9162 175.9720 83 A 4.1111 7.9763 122.7617 55.1108 18.0528 179.5686 84 L 4.0768 8.0696 118.0341 57.4980 41.7990 179.0090 85 L 5.1394 8.0358 119.8041 55.7404 40.7977 177.0130 86 Q 4.5813 7.1264 118.2496 55.4617 29.3819 175.9460 87 D 4.5231 8.7188 119.4241 57.3242 40.9736 177.5325 88 N 4.4111 8.1146 116.9085 53.0111 37.5641 175.3324 89 I 4.0580 8.3808 116.6551 61.7186 38.2207 177.3214 90 A 3.9352 7.9952 123.2885 55.7110 18.0271 179.1766 91 D 4.2599 8.0687 116.3265 57.3946 40.9324 178.6292 92 A 4.0172 7.9567 120.8234 55.1107 18.4500 179.7821 93 V 3.3497 8.3551 116.7201 66.1124 31.2981 178.0027 94 A 3.9990 8.3996 120.8879 55.4454 18.2678 178.7793 95 C 4.2678 8.6780 116.9974 59.3806 41.6916 175.5751 96 A 3.8514 8.2592 122.8112 55.0221 17.9729 179.5187 97 K 3.9773 8.4944 117.3785 59.9445 31.9774 179.3971 98 R 4.0478 7.4681 116.7924 59.4613 30.2066 178.4046 99 V 3.0961 7.3206 117.7615 65.7156 31.5242 178.2048 100 V 4.4943 7.7562 112.6543 62.8155 31.3883 178.5025 101 R 4.1352 8.2320 117.6322 58.0278 30.2192 176.4691 102 D 4.7923 7.5267 118.8343 52.6771 41.7895 175.3374 103 P 4.4421 0.0000 0.0000 65.7850 31.3401 178.0147 104 Q 4.0524 8.1902 118.6167 57.6011 30.0705 176.4762 105 G 4.4603 7.4615 104.9409 47.3464 0.0000 174.0648 106 I 3.5659 7.8627 121.2903 61.1500 37.7671 175.7406 107 R 4.3318 6.7954 115.1722 55.3194 30.4241 177.3843 108 A 4.0330 7.8860 123.5783 54.4703 18.7211 178.9569 109 W 4.6090 7.8216 115.7114 55.4256 30.5445 178.0112 110 V 3.7568 8.7307 122.4891 64.7543 31.0599 178.4588 111 A 3.9631 8.3419 120.9577 54.4740 18.1283 179.2678 112 W 3.8433 8.1478 127.8061 60.1460 30.6431 177.5332 113 R 4.4109 8.0880 112.2897 56.9113 29.4775 176.8133 114 N 4.6278 7.5781 117.5083 54.3772 39.6553 175.6963 115 R 4.3742 7.4498 114.6318 55.9836 31.9540 175.4912 116 C 4.4357 7.9050 113.8498 56.2100 42.2102 173.1477 117 Q 3.7547 7.6812 121.4424 56.9284 27.3130 175.1820 118 N 4.1122 7.8817 126.1747 54.2668 37.5727 173.7847 119 R 4.4047 6.9825 115.0939 54.2583 31.9531 176.2373 120 D 4.6510 8.3257 120.8727 54.2724 38.9489 176.3178 121 V 4.7044 7.9526 114.7436 61.0413 32.4406 178.4480 122 R 4.1255 8.0916 122.6732 59.1614 30.1152 178.9397 123 Q 4.0167 8.1758 114.9035 59.0426 28.8073 177.2747 124 Y 4.0497 8.0522 116.1947 60.5342 37.9503 177.4808 125 V 4.1378 7.7656 110.3227 61.8235 33.1254 175.7764 126 Q 4.0057 8.2556 121.9970 57.5537 28.8919 176.0668 127 G 3.8389 8.9335 115.9312 46.5270 0.0000 174.0553 128 C 4.4191 8.0388 119.4140 57.2120 45.1624 173.9424 129 G 3.9422 8.0797 109.6426 46.7015 0.0000 174.3216 *130 V 3.8752 7.5988 120.1102 60.7254 32.3393 177.4613 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 1 K 8.17 4.23 0.00 1.76 2.02 0.00 1.66 0.00 0.00 1.27 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.10 7.81 2 V 8.32 4.22 2.01 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 0.99 0.00 0.00 0.95 0.00 0.00 3 F 8.65 4.54 0.00 3.22 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 4 E 8.61 4.67 0.00 2.10 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 2.37 2.33 0.00 5 R 7.95 2.51 0.00 1.21 1.63 0.00 3.41 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 6 C 7.89 4.17 0.00 3.06 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 7 E 7.96 3.68 0.00 1.86 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 1.47 1.98 0.00 8 L 7.42 4.00 0.00 1.91 1.80 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.63 4.01 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 10 R 7.69 3.91 0.00 1.73 1.90 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 11 T 8.29 3.74 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 1.17 0.00 0.00 12 L 8.00 3.88 0.00 1.64 1.50 1.11 0.53 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 13 K 7.82 4.36 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.30 7.81 14 R 8.25 3.93 0.00 1.95 1.91 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 15 L 7.28 4.14 0.00 1.58 1.51 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.98 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 0.00 0.00 0.00 17 M 7.95 3.47 0.00 1.03 1.74 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 18 D 7.78 4.13 0.00 2.79 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 19 G 8.59 4.43 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 0.00 20 Y 7.55 4.39 0.00 2.84 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 21 R 8.93 3.44 0.00 2.08 2.05 0.00 3.47 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 22 G 8.45 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 23 I 7.66 4.48 2.45 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 1.31 0.00 0.00 24 S 8.37 5.19 0.00 4.09 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 25 L 8.55 4.09 0.00 1.75 1.80 0.98 1.17 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 26 A 8.32 4.14 1.49 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 27 N 8.43 4.46 0.00 3.38 3.47 0.00 0.00 6.77 7.74 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 28 W 8.57 4.35 0.00 3.59 3.56 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 29 M 9.37 4.43 0.00 2.25 2.50 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 2.80 2.77 0.00 30 C 8.02 3.59 0.00 2.07 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 31 L 7.67 3.90 0.00 1.95 1.66 0.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.81 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.58 2.48 0.00 1.68 1.85 0.00 1.99 0.00 0.00 1.73 0.00 0.00 2.53 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.30 0.97 7.81 34 W 7.10 4.22 0.00 3.11 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 35 E 8.04 3.76 0.00 1.54 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 36 S 7.58 4.35 0.00 3.90 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 37 G 7.92 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 0.00 0.00 0.00 38 Y 6.92 3.80 0.00 3.43 3.17 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 39 N 7.65 5.55 0.00 2.86 2.75 0.00 0.00 7.28 7.08 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 40 T 8.89 4.23 4.39 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 1.35 0.00 0.00 41 R 8.33 4.46 0.00 1.97 1.99 0.00 3.28 0.00 0.00 3.89 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 42 A 8.05 4.21 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 43 T 8.23 4.62 3.39 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 0.69 0.00 0.00 44 N 8.79 5.03 0.00 3.05 2.99 0.00 0.00 6.91 7.84 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 45 Y 8.60 5.13 0.00 2.90 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 46 N 8.88 5.16 0.00 2.87 3.00 0.00 0.00 5.88 7.31 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 47 A 8.65 4.55 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 48 G 8.46 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 0.00 0.00 0.00 49 D 7.95 4.81 0.00 2.69 2.68 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 50 R 8.44 4.06 0.00 1.96 2.01 0.00 3.32 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 51 S 7.63 4.60 0.00 4.04 3.86 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 52 T 8.11 4.53 4.27 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 0.78 0.00 0.00 53 D 8.84 5.12 0.00 2.84 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 54 Y 9.77 4.64 0.00 2.91 3.11 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 55 G 8.38 4.59 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 56 I 8.32 4.47 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.89 1.10 0.00 0.00 57 F 8.44 4.41 0.00 2.99 3.14 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 58 Q 7.56 3.35 0.00 1.71 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.24 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 59 I 8.12 4.74 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.96 0.00 0.00 60 N 9.32 5.03 0.00 2.87 2.85 0.00 0.00 7.24 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 61 S 8.70 5.43 0.00 4.03 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 62 R 8.22 4.45 0.00 2.04 1.90 0.00 3.17 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 63 Y 7.99 3.98 0.00 2.59 1.74 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 64 W 8.28 5.35 0.00 3.57 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 65 C 8.16 5.22 0.00 2.94 3.27 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 66 N 8.40 4.96 0.00 2.81 2.65 0.00 0.00 7.75 8.94 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 67 D 9.15 4.16 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.14 4.79 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 0.00 0.00 0.00 69 K 7.55 4.49 0.00 1.83 1.86 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.41 7.81 70 T 7.68 4.40 4.20 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 1.25 0.00 0.00 71 P 0.00 4.34 0.00 2.15 2.16 0.00 3.76 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 1.97 1.95 0.00 72 G 8.05 3.49 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 0.00 73 A 7.46 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.93 3.65 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.57 0.00 0.00 75 N 8.05 4.16 0.00 3.00 2.97 0.00 0.00 7.02 7.51 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 76 A 8.23 4.07 1.57 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 77 C 8.85 4.40 0.00 3.13 3.25 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 78 H 7.95 3.91 0.00 3.32 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.92 4.30 0.00 1.87 1.76 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.30 4.91 0.00 3.85 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 81 C 8.41 4.35 0.00 2.84 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 82 S 7.99 4.22 0.00 3.86 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 83 A 7.98 4.11 1.47 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 0.00 0.00 84 L 8.07 4.08 0.00 2.06 1.96 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.04 5.14 0.00 2.06 2.01 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.13 4.58 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 87 D 8.72 4.52 0.00 2.71 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 88 N 8.11 4.41 0.00 2.84 2.87 0.00 0.00 6.15 7.94 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 89 I 8.38 4.06 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.99 0.00 0.00 90 A 8.00 3.94 1.33 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 91 D 8.07 4.26 0.00 2.73 2.76 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 92 A 7.96 4.02 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 93 V 8.36 3.35 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 0.65 0.00 0.00 0.85 0.00 0.00 94 A 8.40 4.00 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 95 C 8.68 4.27 0.00 3.09 3.11 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 96 A 8.26 3.85 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 97 K 8.49 3.98 0.00 1.99 1.94 0.00 1.31 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.54 7.81 98 R 7.47 4.05 0.00 1.87 2.19 0.00 3.43 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 99 V 7.32 3.10 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 0.55 0.00 0.00 -0.68 0.00 0.00 100 V 7.76 4.49 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 0.73 0.00 0.00 1.36 0.00 0.00 101 R 8.23 4.14 0.00 1.97 2.08 0.00 3.38 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 102 D 7.53 4.79 0.00 3.08 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 0.00 103 P 0.00 4.44 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 104 Q 8.19 4.05 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.43 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 105 G 7.46 4.46 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 0.00 0.00 0.00 106 I 7.86 3.57 1.43 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 -0.54 0.00 0.00 107 R 6.80 4.33 0.00 1.97 1.80 0.00 3.25 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.00 108 A 7.89 4.03 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 0.00 109 W 7.82 4.61 0.00 3.36 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 0.00 110 V 8.73 3.76 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 1.11 0.00 0.00 0.97 0.00 0.00 111 A 8.34 3.96 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 0.00 112 W 8.15 3.84 0.00 3.32 3.32 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 0.00 113 R 8.09 4.41 0.00 2.31 2.30 0.00 3.13 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 114 N 7.58 4.63 0.00 2.72 2.73 0.00 0.00 6.88 7.61 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 0.00 115 R 7.45 4.37 0.00 1.33 1.46 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.08 0.00 116 C 7.90 4.44 0.00 2.23 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 0.00 0.00 0.00 117 Q 7.68 3.75 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 118 N 7.88 4.11 0.00 2.91 2.83 0.00 0.00 7.26 7.75 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 0.00 119 R 6.98 4.40 0.00 1.43 1.71 0.00 3.29 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 120 D 8.33 4.65 0.00 2.74 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 0.00 121 V 7.95 4.70 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 0.95 0.00 0.00 1.09 0.00 0.00 122 R 8.09 4.13 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 123 Q 8.18 4.02 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.03 0.00 124 Y 8.05 4.05 0.00 3.28 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 0.00 125 V 7.77 4.14 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 0.81 0.00 0.00 1.06 0.00 0.00 126 Q 8.26 4.01 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 127 G 8.93 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.04 4.42 0.00 3.05 3.09 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 0.00 129 G 8.08 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 *130 V 7.60 3.88 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 0.67 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.