NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.7687 7.9548 120.3922 62.7806 32.5061 174.2381 3 W 4.9948 8.4024 126.8838 54.2853 32.9674 172.5821 4 A 4.9826 9.5224 123.1297 50.3981 21.7375 175.5014 5 I 4.5730 8.1682 121.7981 59.4942 40.0383 175.2585 6 R 4.8235 8.7610 123.4769 54.7656 32.5336 175.5112 7 G 4.3046 8.9793 108.9925 44.6143 0.0000 171.2229 8 A 5.1718 8.3091 121.7493 51.0163 23.3621 175.1385 9 T 5.1005 8.7204 114.1519 61.6588 71.6861 171.9336 10 T 5.2932 8.3579 112.6600 60.0166 72.0701 173.3252 11 V 4.6198 8.3675 115.1980 59.6459 34.1159 176.4310 12 S 4.4005 8.7962 116.8003 60.4303 63.5879 174.2967 13 D 4.7545 7.5202 118.1104 52.6940 44.9153 175.2771 14 N 4.6956 8.4830 121.3841 52.8435 37.4293 174.5225 15 T 4.7439 7.3112 111.4678 58.7403 73.8549 174.7391 16 A 3.9733 8.4208 123.7253 55.3927 18.3943 179.6436 17 D 4.2386 8.0085 116.0620 57.4612 41.4095 177.9817 18 E 3.9117 7.9857 119.7325 59.2272 29.7142 178.8555 19 I 3.6973 7.7142 119.8814 64.3577 37.1323 178.6736 20 V 3.5146 7.9145 118.8038 65.9460 31.4326 177.9136 21 A 3.9537 8.1955 120.7547 55.2918 18.3259 179.5205 22 E 3.9766 8.3570 117.0953 59.6134 29.4969 179.6723 23 T 3.9165 7.8747 115.7723 66.6956 68.5443 176.4062 24 Q 3.9179 8.2920 121.6329 59.2270 29.1507 178.6080 25 K 3.9869 8.0409 119.4412 59.1283 31.7997 179.2136 26 L 3.9356 7.5671 119.5785 58.1641 42.1957 178.4825 27 L 4.2852 8.0545 117.9474 57.9085 41.8489 179.2497 28 K 4.1652 8.0286 119.3989 59.2143 32.1622 178.7106 29 E 4.3318 8.0551 118.4884 56.4415 29.7626 178.3320 *31 A 4.3673 8.0160 121.7581 51.9452 21.1356 179.8733 32 E 4.0070 8.5707 115.2823 59.5966 29.6324 179.7002 33 K 4.0637 7.9528 116.4862 58.6529 32.1055 177.4633 34 N 4.8009 8.0869 113.4648 52.0928 39.3668 174.3624 35 G 3.9141 7.7855 105.8283 46.5948 0.0000 173.9291 36 L 4.6419 8.0883 118.9899 53.1769 43.3602 176.3843 37 E 4.7299 8.8216 121.6428 54.1395 32.3614 176.8067 38 E 3.3819 8.6550 119.5516 59.3971 29.7006 178.2934 39 D 4.3542 8.1246 117.3025 57.2531 41.0315 177.2642 40 D 4.4912 7.9123 117.2571 55.1451 41.3923 175.9604 41 I 4.2782 7.4098 121.3023 60.4049 38.0613 175.5412 42 I 4.1842 8.7379 127.3970 63.5614 37.6193 176.3093 43 S 4.8570 7.5232 112.2920 57.4749 65.6629 174.0309 44 I 4.4814 8.7427 121.6069 59.6212 40.7922 174.2898 45 I 4.6984 8.1560 127.1109 59.5044 39.9360 174.3806 46 F 5.2613 9.0280 125.3515 55.8950 41.8916 174.6638 47 T 5.0107 9.0257 112.2207 60.0195 72.3926 173.1313 48 V 5.0684 8.0686 115.1124 59.4405 35.9405 175.3125 49 T 4.3988 8.4842 114.6647 61.4885 69.4007 175.6335 50 K 4.0529 8.7649 122.5183 59.1552 32.8803 177.8151 51 D 4.4428 8.0494 118.4619 55.0491 39.7446 175.9743 52 L 4.7768 7.8617 121.1605 53.5408 42.7389 176.5745 53 D 4.6195 9.1362 119.6767 53.8686 41.2974 176.1736 54 A 4.1160 8.2428 124.0645 55.0544 18.7808 177.8263 55 A 4.6525 7.3419 115.4703 50.8944 22.2935 175.7324 56 F 4.0991 8.9116 119.1594 56.7345 39.5650 175.2243 57 P 4.1738 0.0000 0.0000 65.2596 30.9327 178.2585 58 A 3.3668 7.4828 118.7446 54.1613 18.1273 179.2833 59 I 3.5811 7.5520 118.3471 64.3384 36.8914 178.1220 60 A 3.8876 7.5954 120.1319 55.0892 18.4964 179.1688 61 A 4.0088 7.9428 118.6715 55.4297 18.3567 179.8634 62 R 3.9701 7.5646 115.3499 59.1818 30.4126 180.3171 63 N 4.6307 8.0667 117.2296 52.5999 38.3553 176.1077 *65 G 3.8784 7.8732 106.4237 45.1027 0.0000 174.9012 66 W 5.1468 7.9788 121.8286 55.6758 27.3598 176.5220 67 T 4.4075 7.7842 106.6193 62.1017 69.5529 176.3775 68 S 4.7251 8.6550 117.7251 58.6108 63.3914 173.3960 69 T 4.7047 7.6268 116.7862 61.3344 70.6657 174.1471 70 A 4.1684 8.6088 127.5654 52.3669 19.4722 176.4695 71 L 5.9683 8.3127 121.5909 52.2451 45.6802 175.5594 *73 C 5.0195 8.3131 115.5503 60.1343 29.0852 173.3148 *75 N 4.7505 8.2822 117.7973 52.8159 39.3601 174.1797 76 E 4.0880 8.8894 123.3321 56.0251 30.5460 176.3367 77 I 3.5408 8.4551 124.6835 61.9350 38.5691 175.2496 78 D 4.4438 8.7767 128.5881 53.3385 39.8550 174.9609 79 V 4.2557 7.8770 125.5692 59.7552 32.9318 173.1421 80 P 4.2858 0.0000 0.0000 64.3964 31.6292 176.9374 81 G 3.8809 9.0794 109.4746 45.4780 0.0000 172.7080 82 S 4.7483 7.0286 113.0399 55.2080 65.6091 173.4868 83 L 3.9599 8.3390 122.3800 55.4038 42.0630 176.1050 84 E 4.5458 8.5544 125.0701 55.1201 32.0366 174.9664 85 K 3.8759 9.1408 116.0185 57.8960 30.5596 173.9760 86 C 5.2781 7.9736 117.8793 57.7198 34.0814 172.1862 87 I 5.0201 8.5878 126.7436 59.6710 39.3956 174.8651 88 R 5.0915 8.9798 125.2432 54.5545 33.9937 174.9801 89 V 5.0626 8.3840 120.7766 60.2885 36.0251 173.3448 *92 H 4.9615 8.4927 116.4022 55.8704 30.2000 173.2960 93 V 4.8534 8.7828 115.4748 59.5160 36.0196 174.4552 94 N 4.8470 8.9209 122.3949 52.9713 38.8756 174.7505 95 T 4.6568 8.2361 117.2083 60.8193 70.4570 172.8936 96 D 4.6524 8.5600 124.8796 54.4891 40.3843 177.2740 97 K 4.0825 7.8682 120.0354 56.6194 32.7456 176.5175 98 D 4.7321 8.4719 122.3526 53.3036 42.3240 177.1791 99 K 2.5812 7.8333 125.2866 59.9104 31.8062 179.6822 100 K 3.9575 7.6248 117.5256 56.8694 31.6653 178.7004 101 D 4.7318 7.9386 115.2711 54.5685 41.2262 176.7674 102 I 3.8017 7.4636 124.0518 61.6469 37.4479 176.1686 103 K 4.4135 9.0725 127.7684 53.1939 32.4411 172.9396 104 H 4.9282 8.5380 122.0242 54.1699 30.2765 175.1570 105 V 4.4752 8.3503 121.5084 61.3338 34.2147 173.7371 106 Y 4.9605 8.8442 124.9217 56.2571 40.5000 174.8952 107 L 4.8763 9.0337 124.0255 52.3406 45.6934 178.8274 108 N 3.9634 9.0088 118.5588 54.7402 37.2991 178.2095 109 G 3.7495 9.6244 117.5508 48.1851 0.0000 174.2388 110 A 4.1472 8.3239 122.8749 53.1602 18.9617 179.5952 111 K 4.0473 7.6803 114.4310 59.1676 32.3473 178.3596 112 V 3.6559 7.2422 117.7380 65.9232 31.5248 175.7393 113 L 4.1350 7.7216 122.9470 54.9125 41.4281 176.5182 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 V 7.95 4.77 1.76 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 1.00 0.00 0.00 0.85 0.00 0.00 3 W 8.40 4.99 0.00 3.51 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 4 A 9.52 4.98 1.09 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 0.00 0.00 5 I 8.17 4.57 1.85 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 1.41 0.71 0.89 0.00 0.00 6 R 8.76 4.82 0.00 1.74 1.77 0.00 3.28 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 7 G 8.98 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 0.00 0.00 0.00 0.00 8 A 8.31 5.17 1.11 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 9 T 8.72 5.10 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 1.28 0.00 0.00 10 T 8.36 5.29 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 1.29 0.00 0.00 11 V 8.37 4.62 2.20 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 0.76 0.00 0.00 0.99 0.00 0.00 12 S 8.80 4.40 0.00 4.02 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 13 D 7.52 4.75 0.00 2.63 2.55 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 0.00 0.00 0.00 0.00 14 N 8.48 4.70 0.00 2.66 2.75 0.00 0.00 6.80 7.70 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 15 T 7.31 4.74 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 1.21 0.00 0.00 16 A 8.42 3.97 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 17 D 8.01 4.24 0.00 2.79 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 18 E 7.99 3.91 0.00 2.07 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 2.52 2.39 0.00 19 I 7.71 3.70 1.87 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 1.40 0.94 0.90 0.00 0.00 20 V 7.91 3.51 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 1.05 0.00 0.00 0.96 0.00 0.00 21 A 8.20 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 22 E 8.36 3.98 0.00 2.09 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 2.51 2.63 0.00 23 T 7.87 3.92 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 1.40 0.00 0.00 24 Q 8.29 3.92 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 25 K 8.04 3.99 0.00 2.10 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.51 7.81 26 L 7.57 3.94 0.00 1.76 1.93 0.92 0.87 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 L 8.05 4.29 0.00 1.70 1.82 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.03 4.17 0.00 1.85 1.78 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 E 8.06 4.33 0.00 2.21 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 2.32 2.34 0.00 *31 A 8.02 4.37 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 0.00 0.00 0.00 0.00 0.00 32 E 8.57 4.01 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 2.37 2.40 0.00 33 K 7.95 4.06 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 N 8.09 4.80 0.00 2.68 2.81 0.00 0.00 6.91 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 35 G 7.79 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.64 0.00 1.63 1.51 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.82 4.73 0.00 1.99 1.89 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 2.28 2.23 0.00 38 E 8.66 3.38 0.00 2.01 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 2.14 1.83 0.00 39 D 8.12 4.35 0.00 2.67 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 40 D 7.91 4.49 0.00 2.75 2.82 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 41 I 7.41 4.28 1.55 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.69 0.00 0.00 42 I 8.74 4.18 1.95 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 1.23 0.44 0.86 0.00 0.00 43 S 7.52 4.86 0.00 3.83 3.77 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 0.00 0.00 0.00 44 I 8.74 4.48 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.45 0.11 0.00 0.00 45 I 8.16 4.70 1.83 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 1.37 1.04 0.94 0.00 0.00 46 F 9.03 5.26 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 47 T 9.03 5.01 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 1.23 0.00 0.00 48 V 8.07 5.07 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 0.75 0.00 0.00 0.92 0.00 0.00 49 T 8.48 4.40 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 1.34 0.00 0.00 50 K 8.76 4.05 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 51 D 8.05 4.44 0.00 2.81 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 52 L 7.86 4.78 0.00 1.71 1.62 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.14 4.62 0.00 2.70 2.65 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 54 A 8.24 4.12 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 55 A 7.34 4.65 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 56 F 8.91 4.10 0.00 2.99 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 57 P 0.00 4.17 0.00 1.80 2.08 0.00 3.40 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 2.09 2.11 0.00 58 A 7.48 3.37 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 59 I 7.55 3.58 1.91 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 1.40 0.59 0.87 0.00 0.00 60 A 7.60 3.89 1.39 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 0.00 0.00 0.00 61 A 7.94 4.01 1.76 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 62 R 7.56 3.97 0.00 1.90 2.00 0.00 3.35 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 63 N 8.07 4.63 0.00 2.76 2.76 0.00 0.00 6.99 7.21 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 *65 G 7.87 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 66 W 7.98 5.15 0.00 3.62 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 67 T 7.78 4.41 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 1.25 0.00 0.00 68 S 8.66 4.73 0.00 4.00 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 69 T 7.63 4.70 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 1.17 0.00 0.00 70 A 8.61 4.17 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 71 L 8.31 5.97 0.00 1.66 1.92 1.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *73 C 8.31 5.02 0.00 2.75 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 *75 N 8.28 4.75 0.00 2.59 2.78 0.00 0.00 6.89 7.66 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 76 E 8.89 4.09 0.00 1.93 1.86 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 2.34 2.32 0.00 77 I 8.46 3.54 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 1.23 0.93 0.92 0.00 0.00 78 D 8.78 4.44 0.00 2.68 2.60 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 79 V 7.88 4.26 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 0.99 0.00 0.00 0.94 0.00 0.00 80 P 0.00 4.29 0.00 2.08 1.99 0.00 3.75 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 2.03 2.10 0.00 81 G 9.08 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 82 S 7.03 4.75 0.00 4.05 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 83 L 8.34 3.96 0.00 1.63 1.65 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.55 4.55 0.00 1.99 2.20 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 2.23 2.45 0.00 85 K 9.14 3.88 0.00 1.89 1.97 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 86 C 7.97 5.28 0.00 3.16 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 87 I 8.59 5.02 1.91 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 1.25 0.59 1.07 0.00 0.00 88 R 8.98 5.09 0.00 1.73 1.76 0.00 3.26 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 89 V 8.38 5.06 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 1.09 0.00 0.00 0.93 0.00 0.00 *92 H 8.49 4.96 0.00 3.17 3.22 0.00 5.81 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 93 V 8.78 4.85 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 0.65 0.00 0.00 1.04 0.00 0.00 94 N 8.92 4.85 0.00 2.54 2.71 0.00 0.00 6.67 7.47 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 95 T 8.24 4.66 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 1.42 0.00 0.00 96 D 8.56 4.65 0.00 2.85 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 97 K 7.87 4.08 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.45 7.81 98 D 8.47 4.73 0.00 2.64 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 2.58 0.00 0.79 1.08 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 0.80 7.81 100 K 7.62 3.96 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 101 D 7.94 4.73 0.00 2.65 2.69 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 0.00 0.00 0.00 102 I 7.46 3.80 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.79 0.00 0.00 103 K 9.07 4.41 0.00 1.72 1.61 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.25 7.81 104 H 8.54 4.93 0.00 3.23 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.35 4.48 2.02 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 1.06 0.00 0.00 0.98 0.00 0.00 106 Y 8.84 4.96 0.00 2.87 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 0.00 107 L 9.03 4.88 0.00 1.52 1.53 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 108 N 9.01 3.96 0.00 2.91 2.13 0.00 0.00 6.77 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 0.00 109 G 9.62 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.32 4.15 1.51 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 0.00 0.00 111 K 7.68 4.05 0.00 1.83 1.91 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.58 7.81 112 V 7.24 3.66 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 0.75 0.00 0.00 0.94 0.00 0.00 113 L 7.72 4.13 0.00 1.79 1.56 1.08 0.88 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 * Residues marked with a * may have inaccurate shift predictions.