NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.2630 8.1844 122.4904 54.5425 44.1984 177.0881 32 E 4.0154 7.9448 118.5375 57.7534 30.1884 174.6628 33 E 3.9990 8.9274 120.8418 59.1104 30.4841 177.6231 34 Q 3.8765 8.0379 116.3900 57.3271 29.3187 177.2259 35 L 4.2203 7.8099 119.7448 56.6280 42.1740 177.3357 36 N 4.5202 7.8190 116.0892 55.2419 39.2915 176.4204 37 K 4.0771 8.9885 122.0991 58.9041 31.9154 178.8980 38 S 4.1530 7.8097 114.5800 60.9792 62.7971 175.8254 39 L 4.2109 7.5568 119.8256 56.0074 41.5218 178.3105 40 K 4.1760 7.7169 119.5702 58.2904 32.3041 177.8086 41 T 4.1892 7.8448 114.3949 64.7579 68.9169 175.5959 42 I 4.3829 7.3839 119.8264 61.2853 38.9834 177.4202 43 A 4.0704 7.8936 122.1678 55.0093 17.8267 179.6404 44 S 4.2073 8.2700 113.3862 61.1173 62.6384 176.3897 45 Q 3.8102 7.8727 121.7998 58.4293 28.9250 178.0097 46 K 4.1698 7.9878 119.7371 59.2982 31.9550 179.5018 47 A 4.2807 7.1457 116.2374 52.6841 17.4817 177.7590 48 A 4.6891 7.7119 117.9166 52.8634 20.2356 177.6553 49 I 4.2594 8.1736 116.8260 62.7655 38.4077 177.6731 50 E 4.1900 8.2502 120.5483 59.2609 29.0206 177.4211 51 N 4.3492 7.6503 115.8808 55.1963 38.9103 176.3775 52 Y 3.8569 7.9712 114.7312 61.3550 39.4142 179.0940 53 N 4.3232 7.2325 116.6612 56.7110 40.4614 176.3788 54 Q 4.2568 7.8084 118.5412 59.4414 28.8696 178.4304 55 L 3.9823 8.3962 121.3935 57.6950 42.0866 178.9304 56 K 3.9515 8.8823 120.6869 58.7221 32.0895 178.2861 57 E 3.8965 8.9373 120.9776 59.5582 29.2009 178.6838 58 D 4.4985 8.2558 118.6532 57.1530 40.7722 178.2352 59 Y 4.1411 7.5764 119.1245 60.9085 39.0393 177.5072 60 N 3.9014 8.3341 117.3389 56.5759 38.5923 177.6629 61 T 3.7830 7.4057 115.5771 66.5396 68.5222 176.6697 62 L 3.8963 7.4165 120.0711 57.5890 41.6500 179.1641 63 K 3.6277 7.6178 119.8717 59.6540 31.8569 178.7258 64 R 3.9735 7.6287 116.8903 58.8420 29.3515 178.3688 65 E 3.8620 7.9670 118.9156 58.2329 29.7590 178.4563 66 L 4.0699 8.1789 121.3259 58.1999 42.1743 178.9394 67 S 5.0347 7.9242 115.5058 61.1274 62.7079 175.9215 68 D 4.3989 8.3569 121.8929 57.2670 40.5224 178.3742 69 R 3.9527 7.9156 118.6836 59.2744 29.9710 178.4915 70 D 4.3937 7.7901 118.8476 57.9244 40.1866 177.8621 71 D 4.3146 7.9737 118.0050 57.8694 40.7063 178.6180 72 E 4.0765 8.1459 117.6461 59.8877 29.8257 179.3916 73 V 3.8440 7.3872 117.2303 66.4530 31.0567 178.1766 74 K 3.9475 8.2839 117.5572 59.6710 32.0583 179.1353 75 R 3.8897 9.1894 118.3968 59.7810 29.9842 178.6969 76 L 4.4314 8.7946 120.3609 57.6185 41.7618 180.1446 77 R 3.9206 7.8837 117.1967 59.1354 29.8180 178.9971 78 E 4.0052 9.2573 119.2229 59.5469 29.6169 178.7439 79 D 4.4022 8.6239 119.0364 57.8183 41.0332 179.4165 80 I 4.1370 8.3584 121.3050 63.6577 37.0578 178.1119 81 A 3.9592 8.5000 122.2290 55.3750 18.2150 179.6459 82 K 3.8660 8.4021 118.0357 59.6622 32.0225 178.8010 83 E 3.9701 7.9996 118.5866 59.1731 28.7892 178.8733 84 N 4.2885 8.1947 116.5786 56.4964 38.1764 176.8930 85 E 3.9658 8.1800 119.1384 59.6281 29.6424 178.9496 86 L 3.9989 8.1093 118.5448 58.4653 41.8603 180.1410 87 R 4.0083 8.8168 118.3963 59.4498 29.9872 179.4934 88 T 3.8704 9.1598 116.0766 66.7260 68.4668 177.0852 89 K 4.8037 9.5432 122.0616 58.8635 31.9827 179.3572 90 A 4.0950 8.5693 121.5422 55.2985 18.3193 179.6022 91 E 3.9743 8.3341 117.0842 59.4093 29.4702 179.0340 92 E 4.1857 8.2402 117.7130 58.1340 29.1102 178.2600 93 E 4.1890 7.8872 117.9909 57.8287 30.0114 178.0815 94 A 4.1057 7.8832 121.1193 54.7283 18.6758 178.9936 95 D 4.2966 8.1627 116.5167 57.0682 41.1458 178.8500 96 K 3.9380 7.8110 118.8052 59.8025 32.0629 178.3839 97 L 3.9010 7.5958 118.0471 58.1414 41.5322 179.1252 98 N 4.2566 8.5921 115.6922 56.8252 38.6346 177.7023 99 K 3.9910 7.8320 118.9750 59.4521 32.1724 179.1526 100 E 3.9133 8.7048 120.0108 58.9699 29.5510 178.6456 101 V 3.5657 9.4967 118.3423 66.1459 31.5129 177.5784 102 E 3.8980 8.3872 119.1090 59.4772 29.6854 178.2033 103 D 4.5718 8.3087 117.9889 56.9364 40.9878 178.1075 104 L 4.5199 7.6924 120.4772 57.0022 42.1432 178.4745 105 T 3.8694 8.3944 115.8014 66.4402 68.3378 176.0393 106 A 4.1400 8.8977 122.6603 55.6236 18.5010 179.6308 107 S 4.1049 7.6702 111.4415 62.2517 62.9310 176.3046 108 L 3.9869 8.3964 122.9497 57.1475 41.1682 178.9407 109 F 4.2974 8.5560 122.2104 61.2522 39.3131 176.8300 110 D 4.2168 8.0819 117.4321 56.9092 40.9039 177.7631 111 E 3.7024 8.6614 119.6758 58.9286 29.1680 177.8918 112 A 4.2333 7.7504 118.9458 53.0105 18.2481 178.8787 113 N 4.1912 8.9996 118.2086 56.0930 37.4947 176.8316 114 N 4.2417 7.9550 119.9056 55.6839 39.1679 176.2629 115 L 3.9834 7.6224 119.6272 58.2634 41.3624 180.1036 116 V 3.5970 7.5614 117.1157 65.6114 31.1803 178.0672 117 A 3.9767 7.8404 120.0103 55.2976 18.3785 178.4086 118 D 4.3332 9.8341 114.5488 58.2024 41.4039 178.0292 119 A 3.9161 8.5532 119.7394 55.9154 18.3378 179.5495 120 R 3.9660 7.9265 111.4700 57.1037 31.4439 178.6717 *122 E 4.5181 8.2202 120.2929 56.1647 31.2636 178.0907 123 K 4.0681 8.7619 120.0500 59.3322 32.0086 178.3937 124 Y 4.3403 8.7988 117.7948 60.2345 37.9573 178.1983 125 A 4.1520 8.0570 121.4857 55.3465 18.7016 179.4285 126 I 3.6671 7.4548 117.1997 64.3505 36.8632 178.3186 127 E 3.9093 7.7920 118.7933 59.7558 29.2744 179.3371 128 I 3.9241 7.9478 118.5799 63.1049 36.8126 178.2980 129 L 3.9417 7.7392 122.0239 58.0843 41.9587 177.8191 130 N 4.6377 7.9067 113.5572 53.8230 38.8881 177.0277 131 K 4.0487 7.6597 121.3651 59.1338 32.0877 179.5169 132 R 4.0204 7.5774 118.4695 58.9273 29.9395 178.2724 133 L 3.9050 7.9392 119.7557 58.8813 42.0512 179.2442 134 T 3.9153 7.6805 115.3284 66.6401 68.3161 176.7545 135 E 4.2418 7.8426 119.0490 59.1756 29.1461 179.0794 136 Q 4.0170 8.7905 118.2935 58.1201 28.8571 178.0330 137 L 4.0537 7.6817 119.8685 57.2632 41.9352 179.3304 138 R 4.1059 7.4765 115.8254 59.0289 30.2769 178.1049 139 E 4.2396 7.5542 115.9183 58.0322 30.0278 177.8388 140 K 4.1106 7.5563 119.8795 58.8678 32.3692 176.9114 141 D 4.6846 7.8004 117.8761 54.6148 41.3129 177.7898 *143 L 4.3882 8.0849 119.5859 54.8217 43.5360 177.1399 144 L 4.1645 7.4621 121.1801 55.0610 41.4290 176.9542 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 31 L 8.18 4.26 0.00 1.60 1.76 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.94 4.02 0.00 2.09 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 2.35 2.30 0.00 33 E 8.93 4.00 0.00 2.00 1.93 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 2.37 2.27 0.00 34 Q 8.04 3.88 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 35 L 7.81 4.22 0.00 1.73 1.84 0.92 0.49 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 36 N 7.82 4.52 0.00 2.79 3.26 0.00 0.00 6.88 6.07 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 37 K 8.99 4.08 0.00 2.02 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 38 S 7.81 4.15 0.00 3.99 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 39 L 7.56 4.21 0.00 1.92 1.71 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.72 4.18 0.00 1.91 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 41 T 7.84 4.19 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 1.20 0.00 0.00 42 I 7.38 4.38 1.87 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 1.45 1.15 0.91 0.00 0.00 43 A 7.89 4.07 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 44 S 8.27 4.21 0.00 4.04 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 45 Q 7.87 3.81 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 46 K 7.99 4.17 0.00 1.89 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 47 A 7.15 4.28 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 48 A 7.71 4.69 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 49 I 8.17 4.26 2.06 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 1.19 1.14 0.94 0.00 0.00 50 E 8.25 4.19 0.00 2.01 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 2.40 2.36 0.00 51 N 7.65 4.35 0.00 2.85 2.79 0.00 0.00 6.74 7.48 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 52 Y 7.97 3.86 0.00 2.95 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 53 N 7.23 4.32 0.00 2.97 2.80 0.00 0.00 7.06 7.00 0.00 0.00 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 Q 7.81 4.26 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 55 L 8.40 3.98 0.00 1.83 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.88 3.95 0.00 1.10 1.71 0.00 1.47 0.00 0.00 0.90 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.14 1.40 7.81 57 E 8.94 3.90 0.00 2.06 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 0.00 2.30 2.35 0.00 58 D 8.26 4.50 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.58 4.14 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 60 N 8.33 3.90 0.00 2.82 2.79 0.00 0.00 7.16 6.66 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 61 T 7.41 3.78 4.38 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 1.18 0.00 0.00 62 L 7.42 3.90 0.00 1.77 1.65 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.62 3.63 0.00 1.18 1.71 0.00 1.21 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.30 7.81 64 R 7.63 3.97 0.00 2.07 2.10 0.00 3.06 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.49 0.00 65 E 7.97 3.86 0.00 1.96 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 2.30 2.30 0.00 66 L 8.18 4.07 0.00 1.86 1.81 0.91 0.87 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 67 S 7.92 5.03 0.00 4.08 4.08 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 68 D 8.36 4.40 0.00 2.99 2.75 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 69 R 7.92 3.95 0.00 1.98 1.96 0.00 3.35 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 70 D 7.79 4.39 0.00 2.76 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 71 D 7.97 4.31 0.00 2.75 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 72 E 8.15 4.08 0.00 2.07 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 0.00 2.40 2.34 0.00 73 V 7.39 3.84 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 1.03 0.00 0.00 1.00 0.00 0.00 74 K 8.28 3.95 0.00 1.98 1.99 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 75 R 9.19 3.89 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 76 L 8.79 4.43 0.00 1.66 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.88 3.92 0.00 2.14 1.98 0.00 3.20 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 78 E 9.26 4.01 0.00 2.20 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 2.33 2.48 0.00 79 D 8.62 4.40 0.00 2.74 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 80 I 8.36 4.14 2.02 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 2.25 0.91 0.00 0.00 81 A 8.50 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 82 K 8.40 3.87 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 83 E 8.00 3.97 0.00 2.26 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 2.33 2.66 0.00 84 N 8.19 4.29 0.00 2.95 2.86 0.00 0.00 6.99 7.24 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 85 E 8.18 3.97 0.00 2.14 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 2.40 2.41 0.00 86 L 8.11 4.00 0.00 1.84 1.74 0.92 0.86 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 87 R 8.82 4.01 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 88 T 9.16 3.87 4.38 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 1.31 0.00 0.00 89 K 9.54 4.80 0.00 1.87 2.00 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 90 A 8.57 4.10 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 91 E 8.33 3.97 0.00 2.19 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 2.33 2.57 0.00 92 E 8.24 4.19 0.00 2.18 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 2.32 2.55 0.00 93 E 7.89 4.19 0.00 2.16 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 2.27 2.55 0.00 94 A 7.88 4.11 1.32 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 95 D 8.16 4.30 0.00 2.85 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 96 K 7.81 3.94 0.00 2.04 1.83 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.75 7.81 97 L 7.60 3.90 0.00 1.89 1.68 0.92 0.67 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 98 N 8.59 4.26 0.00 2.72 2.91 0.00 0.00 7.19 7.20 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 99 K 7.83 3.99 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.63 7.81 100 E 8.70 3.91 0.00 2.02 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 0.00 2.31 2.36 0.00 101 V 9.50 3.57 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 0.91 0.00 0.00 0.98 0.00 0.00 102 E 8.39 3.90 0.00 2.04 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 2.32 2.33 0.00 103 D 8.31 4.57 0.00 3.03 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 0.00 104 L 7.69 4.52 0.00 1.90 1.69 0.93 0.80 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 0.00 105 T 8.39 3.87 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 1.21 0.00 0.00 106 A 8.90 4.14 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 0.00 107 S 7.67 4.10 0.00 4.18 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 0.00 108 L 8.40 3.99 0.00 2.01 1.76 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.56 4.30 0.00 2.94 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 0.00 110 D 8.08 4.22 0.00 2.98 2.75 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 0.00 111 E 8.66 3.70 0.00 2.00 1.93 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 2.29 2.32 0.00 112 A 7.75 4.23 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 0.00 113 N 9.00 4.19 0.00 2.67 3.03 0.00 0.00 6.56 6.84 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 0.00 114 N 7.96 4.24 0.00 2.83 2.81 0.00 0.00 7.04 6.66 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 0.00 115 L 7.62 3.98 0.00 1.73 1.72 0.92 0.82 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 0.00 116 V 7.56 3.60 2.19 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 1.01 0.00 0.00 0.98 0.00 0.00 117 A 7.84 3.98 1.40 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 0.00 118 D 9.83 4.33 0.00 2.76 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 0.00 119 A 8.55 3.92 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 0.00 120 R 7.93 3.97 0.00 2.02 2.19 0.00 3.22 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.01 0.00 *122 E 8.22 4.52 0.00 2.08 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 0.00 2.31 2.32 0.00 123 K 8.76 4.07 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 124 Y 8.80 4.34 0.00 2.95 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 0.00 125 A 8.06 4.15 1.40 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 0.00 126 I 7.45 3.67 1.87 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 1.53 0.69 0.91 0.00 0.00 127 E 7.79 3.91 0.00 2.09 1.97 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 2.20 2.51 0.00 128 I 7.95 3.92 1.96 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 1.44 0.89 0.92 0.00 0.00 129 L 7.74 3.94 0.00 1.74 1.76 0.92 0.67 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 0.00 130 N 7.91 4.64 0.00 2.76 2.81 0.00 0.00 7.09 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 0.00 131 K 7.66 4.05 0.00 2.09 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.80 7.81 132 R 7.58 4.02 0.00 1.82 2.33 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 133 L 7.94 3.91 0.00 1.74 1.86 0.92 0.88 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 0.00 134 T 7.68 3.92 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 0.00 135 E 7.84 4.24 0.00 2.07 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 0.00 2.32 2.43 0.00 136 Q 8.79 4.02 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 137 L 7.68 4.05 0.00 1.72 1.69 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.48 4.11 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 139 E 7.55 4.24 0.00 2.28 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 2.31 2.25 0.00 140 K 7.56 4.11 0.00 1.93 1.89 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 141 D 7.80 4.68 0.00 2.72 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 *143 L 8.08 4.39 0.00 1.66 1.76 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.46 4.16 0.00 1.91 1.59 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.