NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5017 0.0000 0.0000 61.8984 34.1117 175.5661 3 S 5.0999 8.0691 112.1757 56.2940 65.3312 172.1378 4 I 4.6874 9.2135 126.7731 59.8866 42.3231 173.8403 5 K 4.8988 8.8197 126.2796 55.8216 33.7235 175.8012 6 L 5.1192 9.2055 124.0885 53.0315 45.4685 175.3450 7 Q 5.1255 8.7465 122.3655 54.1435 31.9487 174.9280 8 S 4.8519 9.7292 122.5860 58.0441 64.4520 175.6018 9 S 4.5074 9.2336 114.8377 59.8240 62.4005 174.8600 10 D 4.6105 8.6349 120.1976 54.1032 39.8179 175.8036 11 G 4.2078 9.0387 112.2727 47.1961 0.0000 175.2777 12 E 3.8937 8.3860 121.1400 56.2408 30.6279 175.9549 13 I 5.4934 7.9757 124.2688 59.0424 39.3204 174.7788 14 F 4.8360 9.0210 125.8839 55.6598 41.8642 174.6597 15 E 4.9804 8.9703 123.1335 55.5494 30.1120 175.8562 16 V 4.5446 8.3653 118.2282 59.0480 35.4040 175.2192 17 D 4.8849 8.4752 121.8491 54.0026 42.0442 177.4672 18 V 3.6128 8.5851 120.0466 64.9049 31.2878 178.6005 19 E 3.9982 9.6847 119.0137 59.1101 29.8502 178.5934 20 I 3.9081 7.7341 119.3904 64.0773 37.3005 178.0009 21 A 4.0130 8.2554 121.8946 54.9748 18.0388 179.4574 22 K 3.9444 7.9549 116.8656 59.3223 32.2218 178.5119 23 Q 4.2746 7.7230 117.1090 57.1761 28.8225 176.1037 24 S 4.4859 8.2498 116.1074 56.6547 62.9706 174.3615 25 V 3.5431 8.1901 128.6035 66.6417 31.0124 177.6440 26 T 3.8224 7.4896 114.8398 67.1255 68.3952 176.6318 27 I 3.8075 7.6447 120.9357 63.8881 36.8025 178.5233 28 K 3.8691 8.1563 120.6902 59.6554 32.4687 178.0531 29 T 3.9665 8.6039 113.8182 65.7602 67.2395 175.7580 30 M 4.0804 7.8882 119.6306 58.3566 31.9037 178.3931 31 L 4.2766 7.6672 115.8787 56.8735 41.9641 176.7626 32 E 4.4365 8.1106 116.3879 57.1599 32.4504 176.8765 33 D 4.6004 7.9091 119.3242 55.8755 41.5763 177.1811 34 L 4.5234 8.7742 117.8408 54.0121 48.6934 175.9852 35 G 3.9998 7.9765 106.1522 46.7506 0.0000 172.3723 36 M 4.4173 7.3014 116.7776 53.7833 34.2526 176.2219 *43 D 5.1942 7.7317 118.6192 54.3544 43.1619 175.3416 44 P 4.6262 0.0000 0.0000 62.1763 29.8773 174.1475 45 V 3.5723 8.4689 121.6451 62.7980 32.8457 172.9948 46 P 4.5493 0.0000 0.0000 62.3051 31.6729 177.0693 47 L 5.0738 8.3921 126.5454 52.2581 40.6158 175.9205 48 P 4.3015 0.0000 0.0000 65.0328 31.8733 177.8355 49 N 4.5163 7.8372 114.7388 52.5416 38.7134 174.5304 50 V 4.3104 7.6502 119.2642 60.2660 34.3194 175.1292 51 N 5.0398 8.8779 126.5330 51.3897 39.9108 175.5718 52 A 4.3215 8.8511 120.8892 55.0931 17.7919 179.8179 53 A 4.0170 7.9621 119.0186 55.6409 18.6723 179.8158 54 I 3.7025 7.6863 117.6144 64.2991 37.1431 178.5237 55 L 3.8983 7.9901 121.3391 57.9254 41.9019 178.8286 56 K 3.5945 7.5569 119.6916 59.2966 32.0286 179.0038 57 K 4.2543 7.7219 118.1355 59.4968 32.0717 179.3369 58 V 3.7936 8.1920 118.9585 66.3866 31.3540 178.1143 59 I 3.7646 8.2532 119.7763 64.2756 36.8753 178.2053 60 Q 4.0229 8.2686 120.3927 59.0447 29.1572 177.7742 61 W 3.9770 8.7141 129.7531 60.8786 30.4150 177.7558 62 C 4.2735 8.3301 115.2041 63.0469 27.9109 175.7996 63 T 3.8853 8.0418 117.4338 67.0498 67.8820 175.7275 64 H 3.5306 7.5759 118.5583 58.9936 29.7690 175.9047 65 H 5.1259 7.2608 117.5440 54.3685 29.2987 177.0497 66 K 3.7973 7.9057 123.7946 59.5828 32.2584 177.2551 67 D 4.6308 7.6233 117.0340 55.1569 42.5643 177.7273 68 D 4.4549 7.4930 119.7975 53.6695 41.3834 174.5384 *85 I 4.2075 8.1223 121.6128 61.3402 38.3491 174.2738 86 P 4.4419 0.0000 0.0000 62.9964 33.2567 177.5293 87 V 3.6718 8.4305 119.4759 65.9576 31.5236 178.3523 88 W 4.1596 8.3052 127.7905 60.4101 30.5932 177.6244 89 D 4.8055 8.4231 118.5602 57.7358 40.2473 178.5216 90 Q 4.1614 8.2522 117.6296 58.8919 28.9711 178.4974 91 E 4.0563 8.3538 118.7761 59.1731 29.4999 178.7980 92 F 3.8879 7.9208 121.1353 60.7842 39.3807 176.2818 93 L 4.3092 8.1787 116.1670 54.1782 43.1299 178.6322 94 K 4.3265 7.4616 122.4919 54.2501 29.4830 175.1075 95 V 4.5062 6.7303 114.7214 57.8331 36.4699 175.7907 96 D 4.5496 8.2632 120.7149 53.3838 41.1140 177.0219 97 Q 4.1891 8.8500 120.0300 59.4179 28.5793 179.7901 98 G 3.7243 8.0896 105.8833 48.2192 0.0000 175.3977 99 T 3.8690 8.4375 119.1610 66.1311 68.4759 176.2150 100 L 3.9383 7.9106 121.9801 58.3654 42.0519 178.8819 101 F 4.0330 8.6796 120.7492 61.2597 39.2470 177.0254 102 E 4.1182 8.6242 118.5952 59.2792 29.1912 179.3682 103 L 3.9377 8.3691 119.4268 57.9211 41.7611 179.4701 104 I 3.5436 7.8575 119.9239 64.2559 36.9314 178.5701 105 L 3.8034 7.6945 119.3628 57.6677 41.4409 179.0184 106 A 4.0637 8.6328 120.7964 55.4112 18.2705 179.1558 107 A 3.8088 8.5749 119.2133 55.6624 18.3855 179.4753 108 N 4.1919 8.1344 115.1371 56.8082 38.8138 176.5773 109 Y 4.1948 8.3434 120.2976 60.6142 39.2140 177.2696 110 L 3.7648 8.6832 119.7163 52.9643 43.1356 175.4866 111 D 4.4844 7.3913 117.5071 55.2986 39.6353 172.8976 112 I 4.5578 7.9103 121.2891 58.2602 37.7817 176.2579 113 K 3.8311 8.5750 126.1978 59.7775 31.5477 177.4649 114 G 3.8071 8.1546 105.1110 48.1307 0.0000 175.1978 115 L 2.5961 7.1030 122.5489 56.3320 42.0585 178.9700 116 L 3.8135 7.7480 120.9132 57.7605 41.9712 178.1676 117 D 4.2633 8.0242 118.0195 57.4827 41.2375 178.6854 118 V 3.6733 7.3652 112.3358 64.6329 31.6364 178.5465 119 T 3.8474 7.5122 109.0596 65.3578 68.3840 176.1671 120 C 4.1426 8.1148 119.5204 62.1888 28.0179 176.1671 121 K 4.1191 8.2074 120.1139 59.3082 31.7074 179.5927 122 T 3.9060 8.3705 116.8541 66.6245 68.4156 176.8971 123 V 3.7856 7.9109 119.9742 65.6923 31.5064 178.0266 124 A 4.0396 7.9646 120.8832 55.1897 17.9987 179.3762 125 N 4.3854 8.3441 114.4162 56.6705 38.6322 177.2868 126 M 4.2704 7.7608 119.0739 58.4386 32.3882 178.5512 127 I 4.0161 7.8945 119.9888 63.0890 37.3694 176.9210 128 K 4.0037 7.4974 119.1341 58.0227 32.5224 175.8028 129 G 4.3767 9.0406 117.5946 45.7127 0.0000 174.2947 130 K 4.1771 7.0197 118.4325 56.0559 32.6570 177.6804 131 T 4.3911 8.3557 113.0921 60.0505 71.6467 174.0531 132 P 4.2362 0.0000 0.0000 65.8847 31.1819 178.5427 133 E 3.9344 8.0839 117.2909 59.4911 29.7894 178.6191 134 E 3.9975 7.8937 118.1178 59.3109 29.4181 179.5468 135 I 3.8531 7.8807 121.6561 63.6529 37.2195 178.5094 136 R 3.9929 8.1082 118.9479 59.7264 29.9192 178.4911 137 K 3.8028 8.2143 117.9628 60.3250 31.7363 178.7389 138 T 3.6141 8.0738 108.7532 65.8144 68.2643 175.1516 139 F 5.1558 7.7418 120.8621 54.5668 39.9257 175.2800 140 N 4.1220 7.6986 114.2655 54.1660 36.8164 172.2790 141 I 4.6250 8.2136 121.7764 58.4876 40.5936 175.6899 142 K 4.0244 8.5037 125.7850 56.0431 32.6581 176.3718 143 N 4.6123 8.5319 124.8381 52.9326 37.6665 174.2400 144 D 4.4459 8.2424 123.8150 55.0864 41.0720 176.9119 145 F 5.0450 8.3218 119.1607 57.1394 40.3315 175.4097 146 T 4.7623 8.5361 118.2501 61.7708 71.6958 175.9296 147 E 3.9747 8.7142 123.0144 59.1460 29.3990 179.0838 148 E 3.9647 8.1142 118.9843 58.5161 29.8320 178.1940 149 E 3.9885 7.9648 118.4684 59.3628 29.6798 178.6912 150 E 3.7275 8.3328 117.7888 58.3042 29.4972 179.1075 151 A 4.0005 7.3535 121.4322 54.7011 18.5560 179.4415 152 Q 3.8376 7.7267 117.8195 59.2493 29.0354 177.9846 153 V 3.8536 7.6773 119.7051 65.5084 31.5719 177.6110 154 R 3.9554 7.6434 118.0153 59.2820 29.7554 178.4261 155 K 3.9954 7.8914 119.1356 59.4038 32.1467 178.3279 156 E 4.3882 9.2091 118.5144 57.9011 29.0470 177.6299 157 N 5.0450 7.4154 115.6517 52.9681 39.7330 175.6921 158 Q 4.0333 8.2210 121.1413 58.6918 28.8668 178.6101 159 W 4.3450 8.3335 113.5171 59.2890 28.0194 175.3300 160 C 3.3627 6.1013 122.5810 59.0212 30.6979 172.7389 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 P 0.00 4.50 0.00 1.78 2.12 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.07 5.10 0.00 3.93 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 4 I 9.21 4.69 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 0.70 0.94 0.00 0.00 5 K 8.82 4.90 0.00 1.75 1.76 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.49 7.81 6 L 9.21 5.12 0.00 1.70 1.64 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.75 5.13 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.73 4.85 0.00 4.11 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 9 S 9.23 4.51 0.00 4.05 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 0.00 10 D 8.63 4.61 0.00 2.77 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 11 G 9.04 4.21 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 0.00 12 E 8.39 3.89 0.00 2.06 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 2.18 2.29 0.00 13 I 7.98 5.49 1.80 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 1.10 0.93 0.00 0.00 14 F 9.02 4.84 0.00 3.00 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 15 E 8.97 4.98 0.00 1.89 1.95 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 2.29 2.36 0.00 16 V 8.37 4.54 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 0.73 0.00 0.00 1.03 0.00 0.00 17 D 8.48 4.88 0.00 2.68 2.53 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 18 V 8.59 3.61 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 0.84 0.00 0.00 0.93 0.00 0.00 19 E 9.68 4.00 0.00 1.78 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 2.30 2.37 0.00 20 I 7.73 3.91 2.00 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 0.94 0.92 0.00 0.00 21 A 8.26 4.01 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 22 K 7.95 3.94 0.00 1.89 2.11 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 Q 7.72 4.27 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 24 S 8.25 4.49 0.00 3.78 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 0.00 25 V 8.19 3.54 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 0.94 0.00 0.00 0.99 0.00 0.00 26 T 7.49 3.82 4.03 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 0.82 0.00 0.00 27 I 7.64 3.81 1.99 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 1.36 0.90 0.91 0.00 0.00 28 K 8.16 3.87 0.00 1.97 1.93 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.43 7.81 29 T 8.60 3.97 4.22 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 1.24 0.00 0.00 30 M 7.89 4.08 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 31 L 7.67 4.28 0.00 1.79 1.73 0.93 0.90 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 32 E 8.11 4.44 0.00 2.17 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 2.21 2.40 0.00 33 D 7.91 4.60 0.00 2.78 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 34 L 8.77 4.52 0.00 1.75 1.65 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.98 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 0.00 0.00 0.00 36 M 7.30 4.42 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 *43 D 7.73 5.19 0.00 2.69 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 44 P 0.00 4.63 0.00 1.96 2.05 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 V 8.47 3.57 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 0.96 0.00 0.00 1.07 0.00 0.00 46 P 0.00 4.55 0.00 2.03 2.03 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 47 L 8.39 5.07 0.00 1.88 1.74 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.30 0.00 2.15 2.20 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 49 N 7.84 4.52 0.00 1.44 1.98 0.00 0.00 6.60 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 50 V 7.65 4.31 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 1.03 0.00 0.00 1.18 0.00 0.00 51 N 8.88 5.04 0.00 3.20 2.99 0.00 0.00 6.62 7.36 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 52 A 8.85 4.32 1.64 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 0.00 0.00 53 A 7.96 4.02 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 54 I 7.69 3.70 1.90 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 1.64 0.87 0.93 0.00 0.00 55 L 7.99 3.90 0.00 1.89 1.19 0.90 0.34 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 56 K 7.56 3.59 0.00 2.06 2.01 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.75 7.81 57 K 7.72 4.25 0.00 2.14 2.00 0.00 1.86 0.00 0.00 1.53 0.00 0.00 2.51 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.68 1.54 7.81 58 V 8.19 3.79 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 1.09 0.00 0.00 1.06 0.00 0.00 59 I 8.25 3.76 2.02 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.95 0.00 0.00 60 Q 8.27 4.02 0.00 2.47 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 61 W 8.71 3.98 0.00 2.94 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 62 C 8.33 4.27 0.00 3.22 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 63 T 8.04 3.89 4.41 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 1.15 0.00 0.00 64 H 7.58 3.53 0.00 2.00 2.37 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.26 5.13 0.00 2.39 2.80 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.91 3.80 0.00 1.71 1.95 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.31 7.81 67 D 7.62 4.63 0.00 2.55 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 68 D 7.49 4.45 0.00 2.79 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 *85 I 8.12 4.21 1.95 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 1.51 0.55 1.06 0.00 0.00 86 P 0.00 4.44 0.00 2.36 2.11 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 87 V 8.43 3.67 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 1.10 0.00 0.00 0.99 0.00 0.00 88 W 8.31 4.16 0.00 3.40 3.05 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 89 D 8.42 4.81 0.00 3.25 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 90 Q 8.25 4.16 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.83 0.00 91 E 8.35 4.06 0.00 2.15 2.15 0.00 0.00 0.00 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 2.36 0.00 92 F 7.92 3.89 0.00 1.89 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 93 L 8.18 4.31 0.00 1.64 1.64 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.46 4.33 0.00 1.90 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.58 7.81 95 V 6.73 4.51 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 0.67 0.00 0.00 0.90 0.00 0.00 96 D 8.26 4.55 0.00 2.88 2.77 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 97 Q 8.85 4.19 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 98 G 8.09 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 0.00 0.00 0.00 99 T 8.44 3.87 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 1.13 0.00 0.00 100 L 7.91 3.94 0.00 1.78 1.90 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.68 4.03 0.00 3.20 3.19 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 0.00 102 E 8.62 4.12 0.00 2.27 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 2.68 2.55 0.00 103 L 8.37 3.94 0.00 1.74 1.64 0.72 0.85 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 0.00 104 I 7.86 3.54 1.61 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 1.41 1.02 0.72 0.00 0.00 105 L 7.69 3.80 0.00 1.87 1.65 1.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.63 4.06 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 0.00 107 A 8.57 3.81 1.26 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 0.00 0.00 108 N 8.13 4.19 0.00 2.88 2.94 0.00 0.00 6.89 6.87 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 0.00 109 Y 8.34 4.19 0.00 2.86 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 0.00 110 L 8.68 3.76 0.00 1.59 1.54 0.93 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.39 4.48 0.00 2.79 2.51 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 0.00 112 I 7.91 4.56 1.77 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 1.18 0.63 0.95 0.00 0.00 113 K 8.57 3.83 0.00 1.84 1.83 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.60 7.81 114 G 8.15 3.81 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 0.00 0.00 0.00 115 L 7.10 2.60 0.00 0.27 1.11 0.68 -0.62 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 0.00 116 L 7.75 3.81 0.00 1.85 1.55 0.86 0.99 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 0.00 117 D 8.02 4.26 0.00 2.92 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 0.00 118 V 7.37 3.67 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 0.96 0.00 0.00 0.88 0.00 0.00 119 T 7.51 3.85 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 1.16 0.00 0.00 120 C 8.11 4.14 0.00 3.14 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 0.00 121 K 8.21 4.12 0.00 1.97 1.88 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.47 1.64 7.81 122 T 8.37 3.91 4.42 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 1.25 0.00 0.00 123 V 7.91 3.79 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 0.72 0.00 0.00 0.95 0.00 0.00 124 A 7.96 4.04 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 0.00 125 N 8.34 4.39 0.00 2.91 2.93 0.00 0.00 7.09 8.41 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 0.00 126 M 7.76 4.27 0.00 2.09 2.59 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.63 0.00 127 I 7.89 4.02 2.11 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 1.84 1.29 0.98 0.00 0.00 128 K 7.50 4.00 0.00 1.95 1.77 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.75 7.81 129 G 9.04 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 0.00 130 K 7.02 4.18 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.48 7.81 131 T 8.36 4.39 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 1.28 0.00 0.00 132 P 0.00 4.24 0.00 2.18 2.20 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 133 E 8.08 3.93 0.00 2.08 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 2.38 2.46 0.00 134 E 7.89 4.00 0.00 2.21 1.95 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 2.31 2.34 0.00 135 I 7.88 3.85 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 1.19 0.00 0.00 136 R 8.11 3.99 0.00 2.02 2.18 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 137 K 8.21 3.80 0.00 1.89 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.72 7.81 138 T 8.07 3.61 3.55 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 1.02 0.00 0.00 139 F 7.74 5.16 0.00 3.13 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 0.00 140 N 7.70 4.12 0.00 2.78 2.79 0.00 0.00 6.87 7.99 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 0.00 141 I 8.21 4.62 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.94 0.00 0.00 142 K 8.50 4.02 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 143 N 8.53 4.61 0.00 2.79 2.80 0.00 0.00 7.13 8.47 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 0.00 144 D 8.24 4.45 0.00 2.29 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 0.00 145 F 8.32 5.04 0.00 3.30 2.90 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 0.00 146 T 8.54 4.76 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 1.27 0.00 0.00 147 E 8.71 3.97 0.00 2.02 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 2.41 2.39 0.00 148 E 8.11 3.96 0.00 2.04 1.95 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 2.37 2.39 0.00 149 E 7.96 3.99 0.00 2.36 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 0.00 2.49 2.48 0.00 150 E 8.33 3.73 0.00 1.90 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 1.89 2.43 0.00 151 A 7.35 4.00 1.35 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 0.00 152 Q 7.73 3.84 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 153 V 7.68 3.85 1.81 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 1.03 0.00 0.00 0.70 0.00 0.00 154 R 7.64 3.96 0.00 1.87 2.07 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 155 K 7.89 4.00 0.00 2.04 1.94 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 156 E 9.21 4.39 0.00 2.23 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 0.00 2.37 2.60 0.00 157 N 7.42 5.05 0.00 2.53 2.59 0.00 0.00 6.98 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 0.00 158 Q 8.22 4.03 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 159 W 8.33 4.35 0.00 3.58 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 0.00 160 C 6.10 3.36 0.00 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.