NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0652 8.1633 120.7137 55.1763 33.9136 173.8310 2 R 4.9720 9.0990 121.2295 52.1586 33.7143 169.8627 3 V 5.0176 8.6778 121.8815 60.0581 35.9501 173.8812 4 V 4.8930 8.8683 123.0902 61.4716 33.8333 174.0475 5 I 4.9154 9.0475 129.6079 59.8175 39.4984 174.6361 6 Q 5.1247 9.0056 126.1909 53.9282 31.7772 174.8756 7 R 4.5379 8.7389 124.8287 56.2967 31.4405 175.6135 8 V 5.0324 9.0054 118.6501 59.8483 35.9566 176.3033 9 K 4.2066 8.9463 121.9024 56.8253 32.7866 176.9964 10 G 4.6513 7.5167 108.2727 45.9128 0.0000 171.5153 11 A 5.2315 8.2980 120.9418 50.5941 23.3741 175.5010 12 I 4.7390 9.1949 122.8235 59.4578 40.4477 174.2214 13 L 5.0816 8.9288 130.3717 53.5951 43.8779 175.4086 14 S 5.2646 9.4309 121.9160 56.9557 67.1968 173.2869 15 V 4.7890 8.1566 114.0480 59.2730 36.2791 175.0839 16 R 4.2135 8.5838 120.3163 56.2878 29.4027 176.4336 *27 L 4.5254 8.3678 125.0660 55.2214 43.3151 177.1284 28 E 4.6812 9.2032 121.4588 54.3884 33.5072 172.0467 29 I 4.3870 8.6699 126.7314 60.9455 37.1411 176.1061 30 I 4.6230 8.9137 118.6766 60.6980 39.5644 175.6858 31 S 4.7987 7.8489 117.3324 57.1362 67.5407 172.5838 32 E 5.2657 8.4318 121.7886 55.2710 32.4165 174.1027 33 I 4.7559 8.8040 119.3274 58.2133 41.7373 175.7544 34 K 4.7570 8.9637 126.0942 55.8878 30.7007 178.6666 35 N 4.7075 8.5687 125.6397 53.4188 39.3475 175.0470 36 G 4.1589 6.8739 107.9453 46.0676 0.0000 170.8668 37 L 5.3146 8.2004 121.1929 52.9691 45.6655 175.5350 38 I 4.6011 8.3985 122.8856 59.5120 40.3265 173.9731 39 C 5.1357 8.8725 126.8542 57.9455 31.2910 173.2541 40 F 4.8529 9.1281 124.5567 56.7531 39.8103 174.6956 41 L 5.0961 9.6340 127.9016 53.3851 44.0112 175.0951 42 G 4.4882 9.6298 114.8851 44.7268 0.0000 171.8578 43 I 5.2282 8.7544 126.2795 60.0276 39.4985 175.1423 44 H 3.8527 9.8415 130.0287 55.6772 30.5013 176.9630 45 K 3.9634 7.9294 126.2972 57.0265 31.6015 178.4151 46 N 5.0022 8.1837 113.6327 53.2792 38.9805 174.5847 47 D 4.7153 7.7169 118.2903 54.3456 41.6831 175.9916 48 T 4.7791 9.0785 112.9373 59.0799 71.7284 175.0022 49 W 4.6987 9.0774 132.5363 61.2190 30.4737 178.1364 50 E 3.9735 8.1683 118.6558 61.0542 29.1973 182.8247 51 D 4.5473 8.1337 119.0068 57.1568 40.8118 178.6937 52 A 3.8070 7.8807 120.6962 55.1264 18.3254 179.4465 53 L 3.4426 7.2377 117.3599 57.7821 41.5320 179.1272 54 Y 3.8703 7.8453 119.3563 60.6882 38.7266 178.0912 55 I 3.6645 7.6168 120.3571 64.5594 37.2926 178.3752 56 I 3.1154 7.5520 120.5743 64.0965 36.6823 178.1988 57 R 3.7391 7.9880 119.7676 59.4767 29.8393 178.5499 58 K 3.7573 7.9515 118.1945 59.7039 31.8399 178.9727 59 C 4.1402 8.1748 115.8716 62.9812 28.2277 175.8596 60 L 4.3364 7.9308 118.1147 56.0244 41.5587 177.1365 61 N 4.9815 7.5738 113.0178 52.1722 40.2973 174.6918 62 L 4.0649 8.0248 120.2045 54.7522 41.8993 176.7309 63 R 5.1191 8.3984 121.8780 54.5723 29.1558 176.1668 64 L 5.1088 8.5116 119.9721 53.8051 42.5823 176.5573 65 W 4.7687 7.8731 118.7899 54.6372 32.2162 175.0810 66 N 4.8734 8.5541 119.6657 53.2089 39.0129 174.2596 67 N 4.1769 9.6164 113.6797 54.0782 42.1455 173.9252 68 D 4.2887 9.7469 129.6852 56.2864 39.4735 173.9944 69 N 4.2928 8.5829 112.5240 53.0836 35.6568 176.2809 70 K 4.6590 8.1208 121.3249 53.8019 34.1724 179.6949 71 T 4.5676 8.4458 114.2656 59.9617 70.8629 174.2487 72 W 3.9039 7.4949 119.5846 57.5423 26.9190 174.2037 73 D 5.0510 8.6825 115.3945 54.0146 43.6844 176.6442 74 K 5.0498 8.2020 116.3970 54.6548 36.9288 175.1083 75 N 5.9239 9.3578 120.2352 50.3008 40.2666 175.9524 76 V 3.2361 8.6439 117.8406 64.7234 31.1833 178.5007 77 K 3.5083 7.7652 118.5634 59.2021 31.8216 178.5323 78 D 4.3031 8.8956 118.9935 57.0920 40.8336 178.3677 79 L 4.0354 6.9920 115.4354 52.9867 41.9854 175.9476 80 N 4.5142 7.6908 114.6980 53.2617 36.7448 173.9583 81 Y 4.9080 7.8291 115.0486 57.6994 39.8481 174.8062 82 E 4.9750 8.8968 119.4623 54.9978 32.9447 175.3935 83 L 5.2311 8.8719 120.5151 52.9207 45.8682 175.5415 84 L 4.8909 8.7961 125.4006 53.4646 44.3613 174.9336 85 I 4.7483 8.6062 128.5078 59.7304 39.2325 174.8802 86 V 4.4746 8.4919 127.9406 60.7847 33.8425 174.8218 87 S 4.7850 8.6624 122.9311 58.7943 63.5058 174.0125 88 Q 4.4789 9.7604 128.2089 54.4125 29.7868 174.8428 89 F 4.5180 8.6550 120.7807 59.2049 38.6567 178.2530 90 T 3.4730 6.5311 110.0285 63.6244 68.4106 175.7973 91 L 4.1216 7.5698 121.4164 56.6661 41.7528 177.3270 92 F 4.9370 8.5073 118.3727 57.2477 40.4948 176.0325 93 G 4.0516 8.7903 109.1139 45.5557 0.0000 172.6588 94 N 4.6939 9.0449 126.0826 54.0200 40.0921 174.8633 95 T 4.6455 8.4693 112.8750 60.7049 70.4826 175.3227 96 K 3.8464 8.5852 123.0257 59.4604 32.1231 178.1011 97 K 4.5148 9.2962 116.3137 53.7635 32.6561 175.7811 98 G 4.3757 6.5135 105.1809 44.0010 0.0000 173.6409 99 N 4.5660 8.1524 116.2402 52.8052 39.0727 175.1897 100 K 4.3461 7.6444 120.4802 53.9276 32.6942 174.1392 101 P 4.3901 0.0000 0.0000 62.1878 32.1788 175.4615 102 D 4.5835 8.3056 121.6844 51.5105 41.4242 176.9468 103 F 5.7043 8.1321 123.5988 57.1754 39.9092 178.3250 *104 H 4.2597 8.4689 119.0783 57.8522 28.1524 179.4592 105 L 3.9214 7.9809 119.5344 56.6301 41.7318 177.0743 106 A 4.1457 7.3609 119.9446 51.4629 18.6122 177.6697 107 K 3.9580 8.5152 126.9398 57.0199 33.3109 177.0852 108 E 4.0513 8.8938 123.8777 56.6215 30.5138 175.8667 109 P 4.3489 0.0000 0.0000 65.0450 31.2157 178.0339 110 N 4.3058 8.2931 114.5170 56.8010 38.5551 177.1901 111 E 4.0726 8.2179 118.8580 59.1968 29.5116 179.1795 112 A 4.1359 8.4273 121.3721 55.1647 18.4489 179.2183 113 L 2.9381 8.2890 121.6432 58.6846 42.0189 179.8474 114 I 3.6947 7.3416 118.4376 65.0883 35.4874 179.3574 115 F 4.4615 8.2610 122.8144 61.5059 39.2021 176.4277 116 Y 4.2093 8.9809 119.2894 61.1386 38.5676 178.0654 117 N 4.3495 8.6439 117.4265 56.1092 38.5899 177.5728 118 K 3.9356 8.1136 120.0510 59.4497 32.0426 179.3612 119 I 3.6485 7.7060 119.9979 64.5103 37.1387 178.5513 120 I 3.8153 7.7032 120.5778 64.4700 36.7800 178.2822 121 D 4.3922 8.1393 119.8184 57.3134 40.5713 178.4235 122 E 3.9899 8.4099 119.8402 59.1615 29.7216 178.5312 123 F 4.1576 8.3123 118.1246 60.9047 37.4721 177.9937 124 K 4.0723 8.1432 117.4104 59.3672 31.6386 179.4259 125 K 4.2670 8.3289 119.3245 59.2932 32.2124 178.1709 126 Q 4.3817 8.2366 116.4875 56.1176 29.2879 175.3006 127 Y 4.8170 8.2065 117.5808 57.0242 40.2741 174.7733 128 N 4.6833 5.8190 109.6401 52.5596 43.4270 174.3946 129 D 4.3367 8.9725 125.9362 57.3087 40.9816 177.0264 130 D 4.5403 8.0124 115.7626 54.4408 41.6284 176.5862 131 K 4.1645 7.8436 117.1976 56.9220 32.6575 175.4113 132 I 4.7240 7.4277 120.1237 59.6035 38.7157 175.0750 133 K 4.8083 8.9143 127.2144 54.6044 35.2681 175.3361 134 I 5.2358 7.5359 114.2924 58.5372 41.1886 174.6733 135 G 4.0568 8.4898 109.6486 45.4575 0.0000 173.7459 136 K 4.4787 8.5198 123.0009 54.0253 31.9823 175.8505 137 F 3.8715 8.7485 127.4971 59.7992 39.4688 175.6945 138 G 3.7633 7.9684 114.4783 45.7379 0.0000 172.6502 139 N 5.0325 7.7235 116.3656 50.8407 40.9916 174.1626 140 Y 4.1218 8.4743 121.8471 58.2382 39.4982 175.2634 141 M 4.9177 7.0687 124.5644 53.4266 36.5368 173.9283 142 N 4.7842 9.2105 120.6052 51.9236 41.5994 173.2894 143 I 4.8198 8.2921 126.8984 59.4910 39.8344 175.0403 144 D 4.6039 8.8867 128.9414 53.8906 41.6320 175.9012 145 V 4.6890 8.4002 123.6364 61.3783 34.4097 175.2651 146 T 4.4358 8.6614 125.0565 62.0421 69.0814 173.2614 147 N 4.8752 8.6279 124.3403 53.2451 39.3886 175.1405 148 D 4.3585 10.3612 125.1772 52.2027 40.3992 175.2448 149 G 4.2418 8.4099 117.6198 45.1736 0.0000 169.3724 150 P 4.3596 0.0000 0.0000 61.1766 32.7839 176.2584 151 V 4.4103 8.1626 119.0322 61.7387 34.0592 174.0583 152 T 5.1885 8.6480 124.6917 61.8060 70.9382 173.8164 153 I 4.6099 8.9406 127.2569 59.5266 40.4545 173.8442 154 Y 5.2794 8.6979 127.0589 55.8974 41.4055 174.6909 155 I 4.4003 7.7064 125.8239 59.4338 41.7343 173.5341 156 D 5.0948 8.3182 126.4634 52.4342 42.7469 176.6924 157 T 3.8168 9.3146 117.7422 64.0509 68.9487 174.4515 158 H 4.8689 8.2231 119.3391 56.0158 28.9938 175.1262 159 D 4.3549 7.5524 118.0329 52.9539 42.7545 176.6764 160 I 3.6969 7.6603 127.2027 61.8900 36.8653 174.5324 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 M 8.16 5.07 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.10 4.97 0.00 1.37 1.69 0.00 2.24 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 3 V 8.68 5.02 2.13 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 0.69 0.00 0.00 1.06 0.00 0.00 4 V 8.87 4.89 2.30 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 1.17 0.00 0.00 1.10 0.00 0.00 5 I 9.05 4.92 1.89 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 1.27 0.67 0.93 0.00 0.00 6 Q 9.01 5.12 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 7 R 8.74 4.54 0.00 1.73 1.86 0.00 2.21 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.15 0.00 8 V 9.01 5.03 2.33 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 0.75 0.00 0.00 0.99 0.00 0.00 9 K 8.95 4.21 0.00 1.64 1.82 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.40 7.81 10 G 7.52 4.65 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 0.00 11 A 8.30 5.23 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 12 I 9.19 4.74 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 1.10 0.93 0.91 0.00 0.00 13 L 8.93 5.08 0.00 1.67 1.51 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.43 5.26 0.00 3.77 3.72 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 15 V 8.16 4.79 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 0.79 0.00 0.00 1.03 0.00 0.00 16 R 8.58 4.21 0.00 1.85 1.92 0.00 3.31 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 *27 L 8.37 4.53 0.00 1.59 1.70 0.99 1.05 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 28 E 9.20 4.68 0.00 1.57 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 2.13 2.13 0.00 29 I 8.67 4.39 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 1.41 0.96 0.97 0.00 0.00 30 I 8.91 4.62 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.99 0.00 0.00 31 S 7.85 4.80 0.00 3.73 3.71 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 32 E 8.43 5.27 0.00 2.18 1.75 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 2.20 1.87 0.00 33 I 8.80 4.76 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.87 0.00 0.00 34 K 8.96 4.76 0.00 1.71 1.15 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 N 8.57 4.71 0.00 1.44 1.59 0.00 0.00 6.67 7.58 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 36 G 6.87 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 37 L 8.20 5.31 0.00 1.65 1.58 1.09 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.40 4.60 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 1.48 0.93 0.00 0.00 39 C 8.87 5.14 0.00 2.77 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 40 F 9.13 4.85 0.00 2.99 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 41 L 9.63 5.10 0.00 1.89 1.83 1.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.63 4.49 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 43 I 8.75 5.23 2.13 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.29 1.16 0.00 0.00 44 H 9.84 3.85 0.00 3.05 3.39 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 3.96 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 8.18 5.00 0.00 2.71 2.83 0.00 0.00 6.95 8.06 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 47 D 7.72 4.72 0.00 2.73 2.59 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 48 T 9.08 4.78 4.37 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 1.26 0.00 0.00 49 W 9.08 4.70 0.00 3.52 3.23 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 50 E 8.17 3.97 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 2.24 2.22 0.00 51 D 8.13 4.55 0.00 2.97 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 52 A 7.88 3.81 0.55 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 0.00 0.00 53 L 7.24 3.44 0.00 1.61 1.52 0.87 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.85 3.87 0.00 3.02 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 55 I 7.62 3.66 1.97 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 1.78 0.77 0.97 0.00 0.00 56 I 7.55 3.12 1.38 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.36 0.27 0.00 0.00 57 R 7.99 3.74 0.00 1.79 1.82 0.00 2.81 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 58 K 7.95 3.76 0.00 1.77 1.70 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.44 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.69 1.10 7.81 59 C 8.17 4.14 0.00 3.40 3.22 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 60 L 7.93 4.34 0.00 1.66 1.65 1.05 0.89 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 61 N 7.57 4.98 0.00 2.65 2.74 0.00 0.00 7.00 8.61 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 62 L 8.02 4.06 0.00 1.79 1.59 0.87 0.76 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 63 R 8.40 5.12 0.00 2.08 2.14 0.00 3.39 0.00 0.00 3.35 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 64 L 8.51 5.11 0.00 0.54 1.29 0.74 0.92 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 65 W 7.87 4.77 0.00 3.42 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 66 N 8.55 4.87 0.00 2.65 2.68 0.00 0.00 6.78 8.00 0.00 0.00 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 N 9.62 4.18 0.00 2.69 2.80 0.00 0.00 7.28 8.37 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 68 D 9.75 4.29 0.00 2.80 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 69 N 8.58 4.29 0.00 2.96 2.78 0.00 0.00 6.62 7.44 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 70 K 8.12 4.66 0.00 1.62 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.20 7.81 71 T 8.45 4.57 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 1.11 0.00 0.00 72 W 7.49 3.90 0.00 3.45 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 73 D 8.68 5.05 0.00 2.75 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 74 K 8.20 5.05 0.00 1.74 1.60 0.00 1.62 0.00 0.00 2.01 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.34 7.81 75 N 9.36 5.92 0.00 2.94 3.11 0.00 0.00 6.64 8.40 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 76 V 8.64 3.24 2.40 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 0.96 0.00 0.00 1.13 0.00 0.00 77 K 7.77 3.51 0.00 1.71 1.63 0.00 1.46 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.61 7.81 78 D 8.90 4.30 0.00 2.61 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 79 L 6.99 4.04 0.00 0.27 0.13 0.19 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.69 4.51 0.00 2.74 2.87 0.00 0.00 6.97 7.92 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 81 Y 7.83 4.91 0.00 2.69 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 82 E 8.90 4.98 0.00 1.91 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 2.21 2.28 0.00 83 L 8.87 5.23 0.00 1.41 1.30 1.11 0.48 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 84 L 8.80 4.89 0.00 1.65 1.40 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.61 4.75 1.84 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.29 1.01 0.00 0.00 86 V 8.49 4.47 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 0.96 0.00 0.00 0.77 0.00 0.00 87 S 8.66 4.79 0.00 3.94 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 88 Q 9.76 4.48 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 89 F 8.65 4.52 0.00 3.33 3.29 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 90 T 6.53 3.47 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 0.13 0.00 0.00 91 L 7.57 4.12 0.00 1.61 1.41 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.51 4.94 0.00 3.34 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 93 G 8.79 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.04 4.69 0.00 2.85 2.88 0.00 0.00 6.61 6.99 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 95 T 8.47 4.65 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 1.23 0.00 0.00 96 K 8.59 3.85 0.00 1.92 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.44 7.81 97 K 9.30 4.51 0.00 1.70 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 98 G 6.51 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 0.00 0.00 0.00 0.00 99 N 8.15 4.57 0.00 2.71 2.85 0.00 0.00 6.77 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 0.00 100 K 7.64 4.35 0.00 1.70 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.46 7.81 101 P 0.00 4.39 0.00 1.73 1.81 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 102 D 8.31 4.58 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 0.00 103 F 8.13 5.70 0.00 3.24 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 *104 H 8.47 4.26 0.00 2.95 2.99 0.00 7.21 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.98 3.92 0.00 1.76 1.38 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.36 4.15 1.55 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 0.00 0.00 107 K 8.52 3.96 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.39 7.81 108 E 8.89 4.05 0.00 1.70 1.83 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 2.31 1.92 0.00 109 P 0.00 4.35 0.00 2.19 2.23 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 110 N 8.29 4.31 0.00 2.74 2.89 0.00 0.00 7.01 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 0.00 111 E 8.22 4.07 0.00 2.11 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 2.40 1.95 0.00 112 A 8.43 4.14 1.66 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 0.00 0.00 113 L 8.29 2.94 0.00 1.07 1.64 0.34 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.34 3.69 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 1.41 0.56 0.91 0.00 0.00 115 F 8.26 4.46 0.00 3.30 3.42 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 0.00 116 Y 8.98 4.21 0.00 3.34 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 0.00 117 N 8.64 4.35 0.00 2.98 2.86 0.00 0.00 7.08 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 0.00 118 K 8.11 3.94 0.00 2.09 1.69 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 119 I 7.71 3.65 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.84 0.00 0.00 120 I 7.70 3.82 1.91 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 1.11 1.15 0.90 0.00 0.00 121 D 8.14 4.39 0.00 2.90 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 0.00 122 E 8.41 3.99 0.00 2.37 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 2.24 2.29 0.00 123 F 8.31 4.16 0.00 3.29 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 0.00 124 K 8.14 4.07 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 125 K 8.33 4.27 0.00 1.76 2.04 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.24 4.38 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 127 Y 8.21 4.82 0.00 3.01 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 0.00 128 N 5.82 4.68 0.00 2.46 1.78 0.00 0.00 7.45 8.37 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 0.00 129 D 8.97 4.34 0.00 2.64 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 0.00 130 D 8.01 4.54 0.00 2.55 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 0.00 131 K 7.84 4.16 0.00 1.13 1.49 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.91 0.60 7.81 132 I 7.43 4.72 1.83 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 1.47 0.92 0.76 0.00 0.00 133 K 8.91 4.81 0.00 1.60 1.66 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.60 7.81 134 I 7.54 5.24 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.63 0.96 0.00 0.00 135 G 8.49 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.52 4.48 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 137 F 8.75 3.87 0.00 2.94 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 0.00 138 G 7.97 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 0.00 0.00 0.00 139 N 7.72 5.03 0.00 2.93 2.78 0.00 0.00 6.85 7.06 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 0.00 140 Y 8.47 4.12 0.00 2.96 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 0.00 141 M 7.07 4.92 0.00 1.75 1.69 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 142 N 9.21 4.78 0.00 2.87 2.69 0.00 0.00 7.07 7.69 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 0.00 143 I 8.29 4.82 1.93 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 1.32 0.76 0.92 0.00 0.00 144 D 8.89 4.60 0.00 2.63 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 0.00 145 V 8.40 4.69 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 0.87 0.00 0.00 1.06 0.00 0.00 146 T 8.66 4.44 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 0.00 147 N 8.63 4.88 0.00 2.62 2.78 0.00 0.00 6.94 8.06 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 0.00 148 D 10.36 4.36 0.00 2.66 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 0.00 149 G 8.41 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 0.00 0.00 0.00 0.00 150 P 0.00 4.36 0.00 2.07 2.01 0.00 3.63 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 2.03 2.07 0.00 151 V 8.16 4.41 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 1.15 0.00 0.00 0.93 0.00 0.00 152 T 8.65 5.19 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 1.25 0.00 0.00 153 I 8.94 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 1.09 0.89 0.89 0.00 0.00 154 Y 8.70 5.28 0.00 2.92 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 0.00 155 I 7.71 4.40 1.76 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 1.10 0.54 0.98 0.00 0.00 156 D 8.32 5.09 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 9.31 3.82 4.19 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 1.37 0.00 0.00 158 H 8.22 4.87 0.00 3.32 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.55 4.35 0.00 2.81 2.46 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 0.00 160 I 7.66 3.70 1.74 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.20 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.