NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.4003 8.2549 117.2832 55.7774 30.8539 174.6479 19 M 4.1207 8.6690 117.8523 54.9732 31.9480 175.3384 20 Q 4.2727 8.6207 120.6690 56.2552 31.2014 176.6747 21 G 4.1570 8.7781 104.0748 46.5853 0.0000 175.4466 22 A 3.8229 7.4895 123.7468 54.7584 17.9955 180.7585 23 G 3.6168 7.7665 105.0500 47.1579 0.0000 175.4961 24 K 3.8158 8.0061 121.5151 59.3202 32.1560 178.5518 25 A 4.1857 7.8199 122.2201 54.4322 18.1886 179.3338 26 L 3.7260 8.1164 119.2956 58.3355 42.2734 178.4848 27 H 4.0013 8.3737 118.3661 59.4120 29.4289 176.8362 28 E 3.9452 8.3355 120.2666 59.4718 29.3777 179.2355 29 L 3.8885 8.1799 120.5372 58.0342 42.0565 178.9027 30 L 3.9503 8.1358 119.2559 57.8894 41.5705 179.6015 31 L 3.9350 7.7096 118.4654 57.6237 41.5453 179.5627 32 S 3.9882 8.2359 112.9138 61.2994 62.3238 175.9027 33 A 3.9620 8.3820 123.8227 55.2477 18.2127 179.1695 34 Q 3.9052 8.2239 118.3147 59.5091 28.9117 179.0286 35 R 4.0421 7.8775 115.2325 58.4965 29.6136 177.6796 36 Q 4.4445 7.6639 116.2541 54.8506 29.2408 175.6149 37 G 3.8335 7.7729 107.5883 47.0820 0.0000 174.0748 38 C 4.6904 8.3937 115.5360 59.1267 29.5896 173.5580 39 L 5.1446 7.8362 118.9819 53.7095 43.4035 176.0260 40 T 4.7362 8.8917 118.2275 61.7239 72.0278 172.7910 41 A 5.0812 8.9203 127.3392 51.2366 21.9459 176.4227 42 G 3.9864 9.3428 108.6841 45.3549 0.0000 175.0746 43 V 3.4634 8.5571 121.5538 66.0305 31.5934 178.2643 44 Y 3.9542 7.5505 115.6971 61.0771 37.8880 177.5817 45 E 3.9845 8.2515 119.7318 59.3452 29.8041 178.7057 46 S 4.0647 8.3203 115.1125 61.6685 62.9369 176.6010 47 A 3.8726 8.0548 123.3301 54.7935 18.0366 179.5367 48 K 3.7909 7.8997 117.7580 59.7832 32.2576 179.1540 49 V 3.5679 7.9321 118.5687 66.0303 31.1453 177.9873 50 L 3.8938 7.6917 117.8929 57.4889 41.4303 178.6727 51 N 4.1754 7.6814 116.0963 56.5215 38.9949 176.9569 52 V 3.8585 7.6292 118.4238 64.7711 33.0087 176.3799 53 D 4.8377 8.2847 118.5529 50.8827 39.3322 173.8688 54 P 4.4846 0.0000 0.0000 66.4480 32.2396 179.3377 55 D 4.3256 8.2385 118.0059 57.0210 40.9077 176.6597 56 N 4.5770 7.9225 114.4839 53.7745 39.3763 174.1921 57 V 4.2633 7.7313 118.4011 63.1296 32.1932 175.0777 58 T 4.6450 8.7651 121.1846 62.2521 69.3082 173.5776 59 F 4.9488 7.8366 121.5518 57.5060 43.0909 172.0605 60 C 5.2433 8.4125 125.0840 57.5113 35.2445 172.5145 61 V 4.6893 8.8831 125.9099 61.1820 33.6074 173.9535 62 L 4.8438 8.7930 128.4033 52.9612 43.8508 175.3909 63 A 5.8174 9.3570 124.6692 49.1267 22.1767 174.8403 64 A 5.0600 8.5845 123.6853 50.7907 22.9870 175.9210 65 D 5.1457 9.2505 123.0597 51.7887 42.0018 176.2188 66 E 4.0540 8.7461 118.7287 59.4772 30.0614 178.2600 67 E 3.9256 8.4323 118.7140 59.6475 29.6374 178.1864 68 D 4.3687 8.7322 118.9638 57.6034 40.5968 178.9524 69 E 4.1263 7.9868 117.8998 58.6854 29.4679 178.4515 70 G 4.1121 7.8860 103.2018 44.0399 0.0000 174.5386 71 D 4.5973 7.6304 122.1223 52.4952 40.0242 176.3931 72 I 3.6119 7.9220 126.0514 63.9620 37.3931 177.3233 73 A 3.8819 7.9446 120.9672 55.0093 18.0772 179.2282 74 L 3.6634 7.8726 118.2612 58.4469 42.0830 179.2891 75 Q 3.7817 7.8657 117.8590 58.8771 28.6005 178.9136 76 I 3.6928 8.0119 121.1952 64.5383 37.1129 177.8921 77 H 4.1792 8.2182 117.2558 59.1275 28.6127 177.4206 78 F 4.3602 8.5613 119.6144 61.2911 38.7408 177.8611 79 T 3.9582 8.3699 115.2814 66.7595 68.2678 176.6744 80 L 4.0346 8.1328 120.6983 57.7943 41.5978 179.5808 81 I 3.7311 7.9453 119.7627 64.3667 36.9828 178.2142 82 Q 3.8948 8.6671 120.3441 59.2528 28.8658 178.1184 83 A 3.9581 8.2537 121.9455 55.0827 18.4505 179.3739 84 F 4.0693 8.2927 120.3334 61.0464 39.4668 176.9433 85 C 4.0757 8.5194 116.7011 63.1980 27.8573 176.0215 86 C 4.0384 8.2289 118.1858 62.9841 27.7001 176.1564 87 E 3.9098 8.3399 119.9670 58.3224 28.6167 178.1898 88 N 4.7511 7.0820 113.5014 52.0898 39.1488 173.9671 89 D 4.2928 7.4050 116.5342 55.4011 38.9332 173.7933 90 I 4.3212 7.7991 119.8944 59.7163 38.3327 176.3975 91 D 4.4130 8.7736 127.2124 55.1144 41.7179 175.5815 92 I 4.5274 7.9417 121.9691 59.4640 41.4227 174.0242 93 V 4.7706 8.4455 120.4227 59.8916 36.6878 174.1746 94 R 5.1427 8.9156 120.6168 54.5786 33.0127 175.6448 95 V 4.5994 8.9383 122.9462 61.3235 33.8829 176.3247 96 G 4.3101 9.0166 115.8148 46.2347 0.0000 174.2794 97 D 4.6506 7.6677 120.7656 53.1143 39.0457 176.2918 98 V 3.6783 7.7969 123.5196 65.1985 31.9521 176.8214 99 Q 3.9875 8.1133 117.5965 59.2474 28.6892 178.9623 100 R 3.8855 8.0028 119.4750 59.0555 30.0997 178.3042 101 L 3.9054 8.0594 120.1627 58.0789 42.0659 178.7997 102 A 3.9687 8.2130 120.5831 55.2050 18.1145 179.4703 103 A 3.9542 8.0713 118.2648 55.0680 18.3969 179.8827 104 I 3.8056 7.3678 117.7929 64.8018 37.4477 178.7479 105 V 3.9391 7.5932 110.9904 61.9919 31.8978 177.2072 106 G 4.3462 8.5491 112.8215 45.1839 0.0000 176.3068 *116 D 4.2939 8.2746 124.3458 52.8441 40.3561 175.3708 117 L 3.6928 8.6340 125.4108 57.5440 39.8140 175.3395 118 H 5.0163 8.1610 115.2532 57.4052 30.1603 175.0367 119 C 5.2183 7.9050 115.6968 57.7428 35.4290 172.8410 120 I 5.1238 8.7430 125.4577 59.6512 40.8657 174.1733 121 L 5.1838 9.1554 126.8912 53.1554 44.5653 175.3962 122 I 4.8931 8.8864 123.5200 59.8530 39.6680 175.2969 123 S 5.2428 8.8841 123.4498 56.5596 65.3500 174.0010 124 N 4.5133 8.7947 119.9117 52.5308 38.3084 173.6991 125 P 4.1036 0.0000 0.0000 65.0928 32.0412 175.8532 *131 K 3.8565 7.5701 119.6877 55.1723 33.1246 175.4815 132 D 4.7527 8.2772 125.3014 51.7090 42.3910 174.0478 133 P 4.5061 0.0000 0.0000 64.8035 31.4356 178.3321 134 A 3.9014 7.9283 119.0424 54.9898 18.3715 179.2584 135 L 3.7106 8.5952 119.2882 58.2291 41.9661 178.9192 136 E 3.9877 8.3584 118.7405 59.4514 29.3268 179.3843 137 K 4.0090 8.3115 119.7640 59.4451 32.1705 178.9704 138 L 4.0737 8.0043 119.4493 57.5957 41.3799 179.3009 139 S 4.4727 8.5762 115.0585 60.7487 62.2761 176.0311 140 L 4.1965 8.0110 124.3376 57.5588 41.8111 178.3411 141 F 4.2874 8.5855 121.0218 61.8706 39.2225 176.9429 142 C 4.0502 8.6957 116.3088 62.6942 27.5269 175.5484 143 E 3.9043 8.4718 121.1635 59.5048 29.1316 178.8015 144 E 3.9672 8.7666 118.7468 59.4619 29.4321 179.4347 145 S 2.7935 7.7201 115.1866 61.3852 62.8391 177.0097 146 R 3.6642 7.8094 120.7488 59.1796 29.5526 179.2199 147 S 4.2518 7.5177 112.8602 60.0339 62.9199 174.8416 148 F 4.7757 6.4026 116.3947 56.4928 37.8638 175.2073 149 N 3.1400 7.3847 115.4946 54.5312 35.8721 174.7107 150 D 4.1741 6.5931 119.9539 51.9393 40.1270 175.8039 151 W 4.5056 7.4689 125.2288 58.7246 29.5160 176.7599 152 V 4.5022 7.3143 117.2042 60.1426 31.1754 173.2799 153 P 4.7019 0.0000 0.0000 61.9829 33.1839 175.6766 154 S 4.9592 8.6494 115.9953 58.2261 63.3658 173.1492 155 I 4.6117 8.6194 126.9747 59.7976 40.0371 175.3032 156 T 4.3208 8.3817 123.3146 61.9786 68.9329 174.4133 157 L 4.1568 8.3698 127.6001 53.9200 42.3212 175.4789 158 P 4.4381 0.0000 0.0000 61.8538 32.3471 175.8890 159 E 4.0553 8.8468 119.6578 57.0109 29.3393 176.7911 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 18 R 8.25 4.40 0.00 1.97 2.14 0.00 3.47 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 19 M 8.67 4.12 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.63 0.00 20 Q 8.62 4.27 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.95 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 21 G 8.78 4.16 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 0.00 22 A 7.49 3.82 0.36 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 0.00 0.00 23 G 7.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.01 3.82 0.00 1.79 1.94 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 25 A 7.82 4.19 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 26 L 8.12 3.73 0.00 1.74 1.77 0.91 0.93 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 27 H 8.37 4.00 0.00 3.34 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.34 3.95 0.00 2.17 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 2.34 2.46 0.00 29 L 8.18 3.89 0.00 1.61 1.62 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.14 3.95 0.00 1.78 1.66 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.71 3.94 0.00 1.82 1.68 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.24 3.99 0.00 3.94 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 33 A 8.38 3.96 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 34 Q 8.22 3.91 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 35 R 7.88 4.04 0.00 2.02 2.04 0.00 3.10 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 36 Q 7.66 4.44 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 37 G 7.77 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 38 C 8.39 4.69 0.00 3.01 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 39 L 7.84 5.14 0.00 1.53 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.89 4.74 4.25 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 1.22 0.00 0.00 41 A 8.92 5.08 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 42 G 9.34 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 43 V 8.56 3.46 1.71 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 0.40 0.00 0.00 1.03 0.00 0.00 44 Y 7.55 3.95 0.00 3.09 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 45 E 8.25 3.98 0.00 2.12 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 0.00 2.39 2.48 0.00 46 S 8.32 4.06 0.00 3.91 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 47 A 8.05 3.87 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 48 K 7.90 3.79 0.00 1.88 1.97 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 49 V 7.93 3.57 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 1.14 0.00 0.00 0.99 0.00 0.00 50 L 7.69 3.89 0.00 1.40 0.80 0.88 0.98 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 51 N 7.68 4.18 0.00 2.55 2.90 0.00 0.00 7.21 7.29 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 52 V 7.63 3.86 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 0.91 0.00 0.00 0.91 0.00 0.00 53 D 8.28 4.84 0.00 2.87 2.74 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 54 P 0.00 4.48 0.00 2.44 2.96 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 55 D 8.24 4.33 0.00 2.69 2.81 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 56 N 7.92 4.58 0.00 2.79 2.81 0.00 0.00 6.70 7.59 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 57 V 7.73 4.26 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 0.84 0.00 0.00 0.97 0.00 0.00 58 T 8.77 4.65 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 1.35 0.00 0.00 59 F 7.84 4.95 0.00 3.16 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 60 C 8.41 5.24 0.00 2.90 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 61 V 8.88 4.69 2.11 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 0.94 0.00 0.00 1.14 0.00 0.00 62 L 8.79 4.84 0.00 1.19 0.34 0.49 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.36 5.82 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 A 8.58 5.06 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 65 D 9.25 5.15 0.00 2.79 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 66 E 8.75 4.05 0.00 2.04 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 2.39 2.32 0.00 67 E 8.43 3.93 0.00 2.08 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 2.39 2.41 0.00 68 D 8.73 4.37 0.00 3.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 4.13 0.00 2.09 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 2.41 2.50 0.00 70 G 7.89 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 71 D 7.63 4.60 0.00 2.67 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 72 I 7.92 3.61 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.88 0.00 0.00 73 A 7.94 3.88 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 74 L 7.87 3.66 0.00 1.76 1.53 0.56 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.87 3.78 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 76 I 8.01 3.69 1.89 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 1.68 1.12 0.88 0.00 0.00 77 H 8.22 4.18 0.00 3.30 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.56 4.36 0.00 3.09 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 79 T 8.37 3.96 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 1.25 0.00 0.00 80 L 8.13 4.03 0.00 1.90 1.75 0.95 0.70 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 81 I 7.95 3.73 2.01 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 1.37 0.78 0.87 0.00 0.00 82 Q 8.67 3.89 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 83 A 8.25 3.96 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 84 F 8.29 4.07 0.00 3.31 3.26 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 85 C 8.52 4.08 0.00 3.10 3.12 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 86 C 8.23 4.04 0.00 2.87 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 87 E 8.34 3.91 0.00 1.88 1.78 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 2.22 2.27 0.00 88 N 7.08 4.75 0.00 2.34 2.55 0.00 0.00 7.06 8.05 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 89 D 7.40 4.29 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.32 1.86 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 1.25 0.68 0.90 0.00 0.00 91 D 8.77 4.41 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.94 4.53 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.83 0.00 0.00 93 V 8.45 4.77 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 0.86 0.00 0.00 1.04 0.00 0.00 94 R 8.92 5.14 0.00 1.76 1.83 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 95 V 8.94 4.60 2.11 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 1.01 0.00 0.00 0.96 0.00 0.00 96 G 9.02 4.31 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 0.00 97 D 7.67 4.65 0.00 2.74 2.58 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 0.00 0.00 0.00 98 V 7.80 3.68 2.11 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 1.02 0.00 0.00 1.02 0.00 0.00 99 Q 8.11 3.99 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 100 R 8.00 3.89 0.00 1.95 2.11 0.00 3.16 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 101 L 8.06 3.91 0.00 1.92 1.83 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.21 3.97 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 0.00 103 A 8.07 3.95 1.36 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 0.00 0.00 104 I 7.37 3.81 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.78 0.00 0.00 105 V 7.59 3.94 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 0.70 0.00 0.00 1.02 0.00 0.00 106 G 8.55 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *116 D 8.27 4.29 0.00 2.69 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 0.00 0.00 0.00 0.00 117 L 8.63 3.69 0.00 1.88 1.74 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.16 5.02 0.00 3.28 3.71 0.00 5.91 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 7.91 5.22 0.00 2.94 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 0.00 120 I 8.74 5.12 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 1.00 0.00 0.00 121 L 9.16 5.18 0.00 1.55 1.58 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.89 4.89 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.93 0.00 0.00 123 S 8.88 5.24 0.00 3.73 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 0.00 124 N 8.79 4.51 0.00 2.88 2.76 0.00 0.00 6.99 7.68 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 0.00 125 P 0.00 4.10 0.00 2.18 2.09 0.00 3.80 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 1.99 2.07 0.00 *131 K 7.57 3.86 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 132 D 8.28 4.75 0.00 2.77 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 0.00 133 P 0.00 4.51 0.00 2.17 2.08 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 134 A 7.93 3.90 1.36 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 0.00 0.00 135 L 8.60 3.71 0.00 1.63 1.80 0.84 0.91 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 0.00 136 E 8.36 3.99 0.00 2.24 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 2.34 2.46 0.00 137 K 8.31 4.01 0.00 1.88 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 138 L 8.00 4.07 0.00 1.63 1.54 0.34 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.58 4.47 0.00 4.04 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 0.00 140 L 8.01 4.20 0.00 1.99 1.72 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.59 4.29 0.00 3.27 3.33 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 0.00 142 C 8.70 4.05 0.00 3.26 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 0.00 143 E 8.47 3.90 0.00 2.03 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 0.00 2.31 2.37 0.00 144 E 8.77 3.97 0.00 2.06 1.98 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 2.36 2.46 0.00 145 S 7.72 2.79 0.00 3.62 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.81 3.66 0.00 2.03 2.18 0.00 3.19 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 147 S 7.52 4.25 0.00 4.03 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 0.00 148 F 6.40 4.78 0.00 3.14 3.07 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 0.00 149 N 7.38 3.14 0.00 2.62 2.53 0.00 0.00 6.66 7.67 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 0.00 150 D 6.59 4.17 0.00 2.25 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 0.00 0.00 0.00 151 W 7.47 4.51 0.00 3.29 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 0.00 152 V 7.31 4.50 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 0.81 0.00 0.00 0.98 0.00 0.00 153 P 0.00 4.70 0.00 2.34 2.02 0.00 3.96 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.85 0.00 154 S 8.65 4.96 0.00 3.97 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 0.00 155 I 8.62 4.61 1.87 0.00 0.00 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 0.71 0.84 0.80 0.00 0.00 156 T 8.38 4.32 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 1.22 0.00 0.00 157 L 8.37 4.16 0.00 1.64 1.62 0.94 1.12 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 0.00 158 P 0.00 4.44 0.00 2.12 2.01 0.00 3.80 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 159 E 8.85 4.06 0.00 1.93 1.90 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 2.30 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.