NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.3390 8.2431 119.0732 55.5368 31.9896 175.5830 12 G 3.8987 7.6295 106.9975 42.9701 0.0000 168.3909 13 E 4.0647 9.0043 123.8987 56.6655 31.3836 174.9975 14 L 4.6987 8.2290 122.7524 52.5980 44.2206 176.3236 15 A 4.2960 8.3127 125.5413 51.6930 19.4607 178.1368 16 V 3.7991 8.3267 120.1051 64.0065 32.0374 176.9525 17 C 5.2733 7.7549 116.3557 54.6673 38.1408 174.0844 18 D 4.7369 9.2638 124.0986 54.2877 41.6109 175.3338 19 A 5.3102 8.5382 123.2017 50.0361 22.7882 175.8879 20 V 4.2980 8.5455 118.2824 60.2782 34.2054 175.2536 21 S 5.3690 8.6999 120.8109 55.0177 65.8482 173.5345 22 G 3.9399 6.4873 110.7945 45.7365 0.0000 172.0291 23 W 5.0652 8.2879 121.0518 55.8762 29.5640 176.4899 24 V 3.9816 9.0379 127.1536 62.5584 31.2811 176.3998 25 T 4.7699 8.7165 116.2137 61.5713 69.3241 174.0360 26 D 4.8432 7.9617 120.0273 53.1093 39.7538 175.8040 27 R 4.0787 8.2491 120.5482 57.0766 30.0799 175.9313 28 R 4.9782 8.9016 123.4821 55.5331 32.4302 175.6844 29 T 5.2666 7.7608 107.4229 60.2861 72.3428 172.5891 30 A 4.5960 8.6746 123.2977 51.1645 23.7951 174.8574 31 V 4.6889 8.2120 118.9465 61.5270 33.7470 175.8490 32 D 5.1060 9.1894 128.0388 51.9063 41.0830 176.5917 33 L 3.8289 8.3817 120.8166 57.6429 41.8355 177.8557 34 R 4.4172 8.6030 113.0697 55.6585 29.3971 177.0893 35 G 3.9777 8.3732 106.2939 45.6118 0.0000 174.0160 36 R 4.4405 7.8807 118.8771 55.1375 32.0329 174.9863 37 E 4.7877 8.6795 124.0458 55.7814 30.7969 175.5677 38 V 4.5910 8.4476 118.9050 59.4718 36.5484 173.6368 39 E 4.8510 8.4352 122.4780 55.1060 31.0049 174.6435 40 V 4.6614 8.9240 126.9588 61.0001 33.8601 174.8197 41 L 4.2046 8.3984 128.1792 54.6045 42.0280 177.6797 42 G 3.8223 8.8794 109.4868 48.4591 0.0000 173.1233 43 E 5.1231 8.1031 117.6569 54.2335 33.3414 176.2245 44 V 4.2528 8.5126 121.6100 60.6887 33.5789 174.5865 45 P 4.2389 0.0000 0.0000 65.6435 31.9970 176.5837 46 A 4.8302 7.5793 119.2620 50.6744 19.5943 175.1269 47 A 4.6994 8.6211 121.8262 52.7453 21.4228 174.4183 48 G 4.1441 7.5569 114.3931 45.2943 0.0000 175.0707 49 G 4.0233 8.7523 114.3808 44.7724 0.0000 172.0969 50 S 4.9069 7.7583 113.6102 55.8701 66.4405 172.1313 51 P 4.9278 0.0000 0.0000 62.0122 32.3616 175.4717 52 L 4.4948 8.8097 121.3493 54.8428 44.2909 173.7797 53 R 4.4342 8.5396 120.6722 56.1113 30.9072 175.1816 54 Q 4.3524 9.1008 129.0588 55.3402 29.5868 174.2111 55 Y 4.8449 7.4191 123.2129 55.6346 41.5920 173.9028 56 F 5.0390 8.9987 117.2274 55.7598 43.5620 174.4560 57 F 4.6108 9.0444 123.8663 57.1043 39.6066 174.4977 58 E 4.9399 8.2765 125.7251 54.7035 33.1504 175.5233 59 T 4.9347 8.9107 118.5526 61.9136 71.9644 173.5182 60 R 4.7414 8.5549 121.8250 54.1283 33.7148 173.8593 61 C 4.9388 8.6060 116.2819 56.7453 39.4206 173.8030 62 K 4.3535 8.5993 122.9769 56.1086 33.2764 175.5397 63 A 4.7661 8.3786 129.6265 50.4657 21.0071 177.3933 64 D 4.5718 8.4275 130.2719 53.9450 39.9961 176.5787 *68 E 4.1072 8.6402 111.4824 56.4661 31.9726 175.8049 69 G 3.5005 8.4344 108.0962 47.6102 0.0000 174.6212 70 G 3.4022 7.9900 113.6762 45.8868 0.0000 168.6924 71 P 4.4632 0.0000 0.0000 62.6941 32.8981 176.9936 72 G 3.7769 8.7296 107.7761 47.2325 0.0000 173.1131 73 A 4.9669 7.6296 120.8371 48.9908 22.1287 176.7693 74 G 3.8542 9.4999 109.7697 47.0694 0.0000 174.6582 75 G 3.9285 8.9694 112.9715 45.1956 0.0000 173.7289 76 G 3.9748 7.8212 107.4100 44.7188 0.0000 173.5568 77 G 4.3186 8.4758 106.5540 46.1612 0.0000 173.8120 78 C 5.1397 8.5268 118.3359 55.1549 40.4912 173.9765 79 R 3.9511 8.9204 122.2094 57.4920 30.6626 177.5780 80 G 3.8617 8.8716 112.3514 46.0012 0.0000 173.9296 81 V 3.8294 7.0582 112.3813 60.2887 32.5240 176.0783 82 D 4.5883 8.5857 122.9714 53.9319 40.1322 176.9869 83 R 4.1362 8.4956 126.5302 58.7802 30.6030 178.8606 84 R 3.9709 8.0517 116.5477 59.3761 29.9228 177.4378 85 H 4.5886 7.7008 110.5357 55.4101 29.6050 174.9997 86 W 5.4302 7.7986 118.7754 54.9563 33.0682 174.4197 87 V 4.4658 8.8874 125.0285 61.5475 32.7392 174.8428 88 S 5.3020 8.2965 121.0945 56.8563 67.4117 172.1947 89 E 5.4735 8.7322 117.1665 56.3301 33.7298 173.6809 90 C 4.9387 8.7221 125.0740 57.0490 36.9030 172.7348 91 K 5.0731 9.1131 122.6745 54.2660 36.6566 175.8228 92 A 4.5327 8.6305 124.8641 52.0061 19.2873 176.7533 93 K 4.5728 9.2187 122.8856 54.6460 35.2785 174.9245 94 Q 5.7400 8.5000 124.4798 53.7307 31.7398 174.6138 95 S 4.6784 8.2833 116.1970 56.9423 67.5381 172.1645 96 Y 5.3339 8.3853 118.3324 57.1391 39.3147 175.8864 97 V 4.9421 8.9879 115.7582 59.5497 36.5392 174.5818 98 R 3.7597 8.0651 123.4462 55.6583 30.6123 175.4495 99 A 5.2430 9.0767 127.4046 49.9884 23.5748 174.6804 100 L 3.5589 8.9337 123.9319 55.0455 43.1227 176.1368 101 T 5.2503 8.9417 116.1413 60.2039 73.0784 172.1481 102 A 5.0589 8.3580 121.3373 50.4345 22.8434 175.2527 103 D 4.4402 8.2708 117.1586 52.9080 45.4010 176.7965 104 A 4.4065 7.7846 126.8464 53.2029 22.8928 178.8586 105 Q 4.1562 8.4040 116.2505 56.7580 27.6079 175.4293 106 G 3.7423 8.2871 114.8910 46.2158 0.0000 172.2771 107 R 4.2154 7.8333 120.1263 55.1945 30.3948 176.0417 108 V 4.4450 8.0684 124.1367 61.9358 33.1060 175.0009 109 G 3.9730 8.1818 112.0238 45.3800 0.0000 172.4518 110 W 4.8806 8.7460 120.6728 56.6901 29.9296 176.3772 111 R 4.7856 9.3137 122.3572 54.2921 34.8584 174.4211 112 W 4.8179 8.9874 123.4645 56.7750 30.2220 175.2980 113 I 5.2145 8.8676 117.8959 59.1236 41.2020 174.2809 114 R 4.9439 9.0298 122.4361 55.0942 31.0714 176.3019 115 I 4.5859 8.5738 116.4537 58.8109 41.8990 174.2707 116 D 4.9407 9.3681 124.1992 54.6456 40.9166 176.9977 117 T 4.5016 8.6523 114.3578 61.8651 70.4444 174.1380 118 A 4.2865 7.4330 122.0189 51.6832 22.6642 175.6404 119 C 5.1018 8.8759 119.8526 55.4786 44.8944 173.1832 120 V 4.5829 8.9019 120.2277 59.4191 34.9354 174.5229 121 C 4.6968 8.6576 123.6968 56.5398 42.8626 172.7659 122 T 4.6224 9.1737 124.0990 62.1133 70.7648 174.1967 123 L 4.7174 8.2402 124.8990 53.4853 42.0029 176.3115 124 L 4.3889 9.2884 126.3859 57.5460 42.5543 177.3047 125 S 4.5326 8.4917 113.2568 59.4262 66.0931 177.3583 126 R 4.0368 8.5948 117.5456 56.5678 28.9841 175.2287 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 11 R 8.24 4.34 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 12 G 7.63 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 0.00 0.00 0.00 13 E 9.00 4.06 0.00 1.97 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 2.31 2.33 0.00 14 L 8.23 4.70 0.00 1.59 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.31 4.30 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 16 V 8.33 3.80 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 0.88 0.00 0.00 0.94 0.00 0.00 17 C 7.75 5.27 0.00 2.79 2.96 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 18 D 9.26 4.74 0.00 2.62 2.57 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 19 A 8.54 5.31 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 20 V 8.55 4.30 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 0.69 0.00 0.00 0.87 0.00 0.00 21 S 8.70 5.37 0.00 3.64 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 22 G 6.49 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 23 W 8.29 5.07 0.00 3.24 3.37 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 24 V 9.04 3.98 2.31 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 1.18 0.00 0.00 0.98 0.00 0.00 25 T 8.72 4.77 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 1.15 0.00 0.00 26 D 7.96 4.84 0.00 2.81 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 27 R 8.25 4.08 0.00 1.88 2.10 0.00 2.52 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 28 R 8.90 4.98 0.00 1.76 1.92 0.00 3.59 0.00 0.00 3.54 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.39 0.00 29 T 7.76 5.27 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 1.21 0.00 0.00 30 A 8.67 4.60 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 31 V 8.21 4.69 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 0.95 0.00 0.00 0.98 0.00 0.00 32 D 9.19 5.11 0.00 3.15 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 33 L 8.38 3.83 0.00 1.62 1.69 0.28 -0.36 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 34 R 8.60 4.42 0.00 1.94 1.98 0.00 3.11 0.00 0.00 3.83 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 35 G 8.37 3.98 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 0.00 0.00 0.00 36 R 7.88 4.44 0.00 2.11 1.86 0.00 3.30 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 37 E 8.68 4.79 0.00 1.98 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 2.47 0.00 38 V 8.45 4.59 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 0.66 0.00 0.00 0.94 0.00 0.00 39 E 8.44 4.85 0.00 1.99 1.94 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 2.22 2.23 0.00 40 V 8.92 4.66 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 1.15 0.00 0.00 0.89 0.00 0.00 41 L 8.40 4.20 0.00 1.50 1.67 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.88 3.82 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 0.00 0.00 0.00 43 E 8.10 5.12 0.00 1.80 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 2.20 2.26 0.00 44 V 8.51 4.25 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 1.18 0.00 0.00 0.89 0.00 0.00 45 P 0.00 4.24 0.00 2.26 2.28 0.00 3.69 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 1.92 0.00 46 A 7.58 4.83 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 47 A 8.62 4.70 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 48 G 7.56 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 49 G 8.75 4.02 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 0.00 0.00 0.00 50 S 7.76 4.91 0.00 3.73 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 51 P 0.00 4.93 0.00 1.94 2.10 0.00 3.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 52 L 8.81 4.49 0.00 1.66 1.74 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.54 4.43 0.00 1.89 1.96 0.00 3.25 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 54 Q 9.10 4.35 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 55 Y 7.42 4.84 0.00 3.27 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 56 F 9.00 5.04 0.00 3.06 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 57 F 9.04 4.61 0.00 2.47 2.84 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 58 E 8.28 4.94 0.00 1.82 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 2.21 2.32 0.00 59 T 8.91 4.93 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 1.17 0.00 0.00 60 R 8.55 4.74 0.00 1.80 1.93 0.00 2.70 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 61 C 8.61 4.94 0.00 2.86 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 62 K 8.60 4.35 0.00 1.91 1.64 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 A 8.38 4.77 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 64 D 8.43 4.57 0.00 2.77 2.61 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 *68 E 8.64 4.11 0.00 2.04 1.92 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 2.13 1.89 0.00 69 G 8.43 3.50 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 0.00 0.00 0.00 70 G 7.99 3.40 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 0.00 71 P 0.00 4.46 0.00 2.05 2.12 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 2.02 2.08 0.00 72 G 8.73 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 0.00 0.00 0.00 73 A 7.63 4.97 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 74 G 9.50 3.85 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 0.00 0.00 0.00 75 G 8.97 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 76 G 7.82 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 77 G 8.48 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 0.00 0.00 0.00 0.00 78 C 8.53 5.14 0.00 2.84 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 79 R 8.92 3.95 0.00 1.99 1.78 0.00 3.44 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 80 G 8.87 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 0.00 0.00 0.00 81 V 7.06 3.83 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 0.60 0.00 0.00 0.99 0.00 0.00 82 D 8.59 4.59 0.00 2.83 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 83 R 8.50 4.14 0.00 1.85 2.01 0.00 3.39 0.00 0.00 3.56 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 84 R 8.05 3.97 0.00 1.77 1.64 0.00 3.08 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 85 H 7.70 4.59 0.00 2.59 2.78 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.80 5.43 0.00 3.23 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 87 V 8.89 4.47 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 0.90 0.00 0.00 0.97 0.00 0.00 88 S 8.30 5.30 0.00 3.97 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 89 E 8.73 5.47 0.00 2.00 1.77 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 0.00 2.15 2.26 0.00 90 C 8.72 4.94 0.00 3.07 2.99 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 91 K 9.11 5.07 0.00 1.61 1.60 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.37 7.81 92 A 8.63 4.53 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 93 K 9.22 4.57 0.00 1.73 1.58 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.33 7.81 94 Q 8.50 5.74 0.00 1.75 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 95 S 8.28 4.68 0.00 3.75 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 96 Y 8.39 5.33 0.00 3.01 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 97 V 8.99 4.94 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 0.86 0.00 0.00 1.06 0.00 0.00 98 R 8.07 3.76 0.00 0.67 1.12 0.00 2.61 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.00 99 A 9.08 5.24 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 0.00 100 L 8.93 3.56 0.00 0.29 1.09 -0.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.94 5.25 4.36 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 1.25 0.00 0.00 102 A 8.36 5.06 1.17 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 0.00 103 D 8.27 4.44 0.00 2.50 2.56 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 0.00 104 A 7.78 4.41 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 0.00 105 Q 8.40 4.16 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 106 G 8.29 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 0.00 0.00 0.00 107 R 7.83 4.22 0.00 1.87 1.90 0.00 3.28 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 108 V 8.07 4.45 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 0.61 0.00 0.00 0.86 0.00 0.00 109 G 8.18 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 0.00 110 W 8.75 4.88 0.00 3.17 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 0.00 111 R 9.31 4.79 0.00 1.69 1.81 0.00 3.16 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 112 W 8.99 4.82 0.00 3.29 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 0.00 113 I 8.87 5.21 1.90 0.00 0.00 0.62 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 0.83 1.02 0.00 0.00 114 R 9.03 4.94 0.00 1.70 1.78 0.00 3.06 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.79 0.00 115 I 8.57 4.59 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.53 0.00 0.00 116 D 9.37 4.94 0.00 2.62 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 0.00 117 T 8.65 4.50 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 1.26 0.00 0.00 118 A 7.43 4.29 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 0.00 119 C 8.88 5.10 0.00 2.92 2.99 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 0.00 120 V 8.90 4.58 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 0.62 0.00 0.00 0.90 0.00 0.00 121 C 8.66 4.70 0.00 2.93 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 0.00 122 T 9.17 4.62 4.40 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 1.21 0.00 0.00 123 L 8.24 4.72 0.00 1.41 1.60 -0.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.29 4.39 0.00 1.66 1.76 0.99 0.88 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 0.00 125 S 8.49 4.53 0.00 3.85 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 0.00 126 R 8.59 4.04 0.00 2.04 1.89 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.