NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0324 8.1545 117.9076 59.5847 33.9799 179.8876 4 T 3.1502 8.9441 111.9321 64.7217 64.7101 168.0372 5 Q 3.8400 8.0737 121.0414 53.4533 28.0124 176.4107 6 T 3.3589 7.5365 112.8257 61.3577 69.7919 170.8743 7 M 4.2516 8.3745 122.4092 54.6164 33.0738 176.1438 8 K 4.0523 8.5619 127.7086 55.2770 32.1194 173.6025 9 D 4.3933 8.6308 126.1514 53.9360 36.9668 174.3213 10 L 4.1860 7.6288 120.5262 54.8859 43.5075 175.7961 11 D 4.8225 8.8590 126.1973 52.1314 40.8157 176.8868 12 V 3.9003 8.2381 126.9274 64.2048 31.5651 178.7815 13 Q 4.0913 8.0945 119.9472 58.2254 28.7365 177.7780 14 K 4.2067 7.8118 115.6512 57.8283 32.2356 177.8419 15 V 4.5010 7.6549 111.5065 61.2324 31.7257 176.2763 16 A 4.3900 7.4344 122.7825 53.1640 19.4804 177.1357 17 G 3.8791 8.4812 105.5410 44.5575 0.0000 172.7095 18 T 4.8639 8.0143 118.3913 62.3056 70.0788 174.3840 19 W 5.4333 8.6079 123.8791 55.5607 34.1772 173.8101 20 Y 4.8594 9.1984 118.0448 56.2690 41.2519 175.5576 21 S 4.6763 8.9887 119.8124 58.6568 62.9361 173.7600 22 L 4.5089 9.2050 128.8127 57.4765 43.3036 176.3082 23 A 5.3098 7.6735 118.2281 50.9536 23.0161 174.8943 24 M 5.2992 9.1738 115.7087 54.2919 35.1655 173.6887 25 A 5.2548 9.4497 121.6891 50.6358 23.3103 174.9611 26 A 5.2473 8.7641 121.8756 49.8991 22.6214 177.3713 27 S 4.8488 8.6735 113.8406 59.8276 64.1330 174.2308 28 D 4.9124 7.8717 120.1582 51.9783 43.5164 176.1616 29 I 3.7634 8.5382 127.7806 64.4365 37.3839 178.4380 30 S 4.2012 8.2279 113.4036 61.0337 62.7652 175.3802 31 L 4.2518 7.6785 120.0213 56.5718 41.4798 177.1620 32 L 4.5831 8.0238 116.7008 54.1314 43.6319 175.4942 33 D 4.5128 7.8323 117.0857 57.2004 40.7147 174.7325 34 A 4.2946 8.6560 128.1580 50.6759 18.4311 178.7395 35 Q 4.1722 8.7536 119.5636 58.5808 28.8793 177.8190 36 S 4.7437 8.1658 109.6148 57.8368 64.0602 174.1670 37 A 4.2058 7.7812 125.3497 51.5733 18.7370 175.6099 38 P 4.5214 0.0000 0.0000 63.9210 31.8544 177.2242 39 L 3.9300 8.7561 121.4863 54.7403 39.3688 175.4280 40 R 4.1702 7.4601 118.9610 55.3140 28.3162 174.7941 41 V 4.6905 7.4320 114.3285 59.1686 36.0415 174.2943 42 Y 4.5661 8.8924 122.2576 55.8432 40.0507 175.4346 43 V 3.8643 8.5003 125.3508 63.7868 31.9692 175.1400 44 E 4.4813 9.5359 126.4335 57.7403 31.8548 175.6460 45 E 5.2334 7.8610 117.9061 55.0449 33.4173 173.4279 46 L 4.9975 9.2616 126.5216 53.1501 44.5689 175.7535 47 K 4.7703 9.1134 123.4068 53.4283 33.8729 174.1432 48 P 5.0627 0.0000 0.0000 62.7957 32.6824 175.5055 49 T 4.7260 8.7234 110.1350 59.1146 71.3869 173.6210 50 P 4.2250 0.0000 0.0000 65.5914 31.5025 177.7040 51 G 3.7882 8.0651 104.7148 45.7159 0.0000 174.3028 52 G 3.9748 8.3983 107.8934 45.0960 0.0000 173.6664 53 D 4.9520 7.8710 119.9119 53.7888 42.9792 175.3732 54 L 4.6695 8.8044 121.6754 53.4927 45.2165 174.5997 55 E 4.5418 9.0130 129.1675 55.7052 31.1232 174.8017 56 I 4.7226 8.9460 127.7124 59.1322 40.8412 173.8178 57 L 5.2301 8.8193 129.9897 53.0187 43.6844 175.5481 58 L 5.3121 8.7215 123.4386 54.1626 44.7795 175.1248 59 Q 5.2809 9.2097 117.5315 53.9766 32.5998 174.7555 60 K 4.9896 8.7584 122.9592 54.1745 35.4737 174.9162 61 W 4.9234 9.1684 135.0000 57.3768 31.4170 174.8884 62 E 3.8771 9.2679 126.2306 56.7974 31.8889 176.1883 63 N 3.9197 8.9664 115.3614 52.5829 35.3839 175.6000 64 G 3.9255 8.4905 106.8402 46.9883 0.0000 173.9566 *65 K 4.5513 6.9298 120.1389 54.2226 36.9038 176.1868 66 C 5.1441 8.7903 117.0203 56.5841 42.5376 173.1688 67 A 4.8377 8.8011 125.6982 49.9727 21.2524 175.1720 68 Q 4.7001 8.7230 124.1041 55.7618 30.5094 175.2168 69 K 4.6135 9.1094 124.9357 54.6280 35.6149 175.1846 70 K 4.7163 8.7338 124.7792 55.2124 33.8737 176.2953 71 I 4.5020 8.5198 124.7502 59.6453 40.7325 174.3535 72 I 4.4834 8.4953 128.2944 60.0195 38.4687 175.1063 73 A 4.8389 8.7643 129.5152 50.3031 21.0514 174.9440 74 E 4.9821 9.0885 122.7477 55.0008 31.6287 175.9536 75 K 4.1075 8.8080 124.2841 56.5774 33.0284 175.4632 76 T 4.6916 7.8095 116.6216 60.3529 71.8298 173.2534 77 E 4.0235 8.9407 116.0266 58.8961 29.8257 173.1989 78 I 4.3916 7.1397 119.2865 58.7187 38.4738 175.1401 79 P 4.0547 0.0000 0.0000 65.0296 31.5905 176.9487 80 A 4.4327 7.7312 118.6107 51.8837 19.6132 175.7581 81 V 4.8459 7.1845 116.4955 60.8389 33.5120 174.9359 82 F 5.0963 9.2047 125.7800 55.5451 43.2237 173.6816 83 K 5.0198 9.1247 123.6924 54.9646 34.0698 175.3096 84 I 4.9443 8.4184 119.8825 58.9109 41.4138 174.9569 85 D 5.2155 8.1087 119.0816 52.2780 41.4325 173.3092 86 A 4.6037 8.3683 123.3168 51.4827 22.9293 176.0375 87 L 3.8071 8.9347 116.1830 56.7394 39.2721 174.5908 88 N 4.2563 8.3298 110.1739 54.0516 36.2465 174.0657 89 E 4.7848 8.2443 117.0839 54.9504 31.9956 176.0393 90 N 5.8852 9.0318 117.2694 51.7524 39.8061 174.5659 91 K 5.1969 7.9784 123.1573 53.6433 36.4011 180.3724 92 V 4.8900 8.9525 125.2667 60.3655 33.8734 174.3472 93 L 5.1557 9.0483 128.6081 52.6604 43.7190 175.7620 94 V 4.0448 8.4601 124.9302 63.2266 31.2413 175.8317 95 L 4.3367 8.5900 128.7906 57.2002 42.5092 177.0816 96 D 4.4743 7.8236 114.7546 54.5543 44.1880 175.2068 97 T 3.9220 8.0794 116.9328 61.1741 70.2010 172.5070 98 D 4.6096 7.1110 123.6888 52.6798 39.7919 178.0640 99 Y 4.0961 7.4960 123.6789 59.5272 37.4717 170.9481 100 K 4.3794 8.7964 118.7548 57.2023 33.4983 176.9138 101 K 4.7536 8.3559 120.1289 56.1315 34.4074 180.8957 102 Y 5.7744 8.7842 118.5587 55.0186 41.9328 173.8596 103 L 4.6367 8.8785 122.3343 53.7251 45.7713 174.8631 104 L 5.2318 9.3378 127.0221 53.9963 44.1218 175.5800 105 F 5.4734 8.6027 115.9533 57.1060 41.8177 171.7004 106 C 5.3457 9.1042 114.9119 56.1419 42.4529 173.3867 107 M 5.6635 8.9308 117.8011 54.1930 34.7371 173.6740 108 E 5.3009 8.8377 116.5159 56.7485 34.0172 173.6602 109 N 5.3244 8.2307 120.0782 51.9931 39.6693 176.0307 110 S 4.1857 9.4965 122.5400 60.9694 63.2555 175.7454 111 A 4.1580 7.8300 124.0764 54.7144 18.9522 177.9484 112 E 4.8021 8.1159 113.2887 54.3945 30.1657 173.8838 113 P 4.3772 0.0000 0.0000 66.5707 32.5516 178.4542 114 E 4.0739 8.2615 117.1077 59.7964 29.4895 178.6847 115 Q 4.3020 7.5655 113.4415 57.1603 28.6226 176.5106 116 S 4.6942 7.7360 111.2859 57.7304 64.2660 173.4828 117 L 4.5759 7.9071 122.0666 55.5009 43.2842 175.4092 118 A 5.1618 8.8767 127.0023 50.6858 22.7402 174.2452 119 C 5.2938 9.4072 119.5873 55.2659 43.7444 173.2225 120 Q 4.6824 8.3973 118.9805 54.3159 33.3492 173.5134 121 C 4.5185 7.2433 122.5032 58.1409 32.9667 172.4553 122 L 5.4031 9.0361 126.3915 53.4035 44.5422 175.8298 123 V 6.0404 8.8047 113.3092 59.2804 36.0249 176.5422 124 R 3.9695 8.9313 120.5350 57.6822 30.6993 177.1171 125 T 4.7292 7.8560 107.4935 58.8858 71.7660 172.9474 126 P 4.1829 0.0000 0.0000 61.5462 29.5095 175.3074 127 E 4.5490 7.4158 119.6005 55.0197 33.9597 175.6971 128 V 3.4751 8.4274 116.1203 61.9791 31.5059 176.3703 129 D 4.6746 8.6851 128.3450 53.5599 41.6447 176.4801 *130 D 4.4193 8.6584 130.3788 58.7964 39.7816 175.3326 131 E 4.1256 8.2600 119.4694 59.0553 29.3832 179.1886 132 A 3.5875 8.4769 121.0031 55.4260 18.4816 179.6588 133 M 4.1300 7.9060 116.7230 58.3906 31.9483 178.6281 134 E 4.0047 8.2326 121.6951 59.6915 29.7219 179.7784 135 K 3.9371 7.7808 123.3996 59.7358 31.8977 180.5614 136 F 4.4683 8.4556 122.8231 61.4133 38.9455 176.8285 137 D 4.1081 8.5238 117.7000 57.2091 40.8069 178.3662 138 K 3.9214 7.9952 117.8961 59.2476 32.3266 178.8290 139 A 4.0940 8.2661 121.4792 55.2678 18.3040 179.7671 140 L 3.8771 7.6058 117.1660 57.4720 41.3623 179.5757 141 K 3.7772 7.4485 117.5331 59.1503 31.9652 178.2592 142 A 4.2354 7.3659 118.2619 52.5514 19.3829 177.4641 143 L 4.4181 7.0936 116.8838 53.1088 43.5905 175.9678 144 P 4.4858 0.0000 0.0000 62.1376 29.7316 174.5366 145 M 4.6627 7.4912 121.4545 55.7886 33.3504 176.0978 146 H 4.9507 8.6043 119.0191 55.3897 30.5506 173.7729 147 I 4.5677 7.4438 119.2734 59.6626 41.3927 173.2586 148 R 5.1632 8.6241 128.8326 54.5440 32.9493 174.1430 149 L 4.8942 9.2310 125.5788 52.8787 45.6312 175.6560 150 S 4.9041 8.2371 115.8392 56.4868 66.3371 172.9570 151 F 5.2719 8.6101 119.2599 55.6646 42.0183 175.2353 152 N 4.7702 9.1480 119.5972 51.3446 38.7629 174.4136 153 P 4.2235 0.0000 0.0000 66.1655 30.9843 179.1392 154 T 4.0535 7.8915 113.2408 66.6212 68.6995 176.3332 155 Q 4.0978 8.5516 120.0488 58.8513 28.3286 178.5499 156 L 3.9937 7.9405 119.9984 58.1136 41.5022 179.5752 157 E 4.1112 8.0439 116.5598 58.2278 29.6443 178.1219 158 E 4.5069 7.8050 118.2386 55.3540 30.5219 176.4849 159 Q 3.4219 8.0908 120.4330 57.5450 27.5764 174.4795 160 C 2.7573 8.7187 120.8242 57.5474 42.1044 174.1165 161 R 3.9271 7.3077 120.2214 55.8131 30.2796 176.6761 162 V 3.9171 7.9330 120.6032 62.9691 31.6925 175.0891 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 3 V 8.15 4.03 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 4 T 8.94 3.15 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 5 Q 8.07 3.84 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.15 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 6 T 7.54 3.36 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 7 M 8.37 4.25 0.00 2.01 2.04 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 2.53 2.54 0.00 8 K 8.56 4.05 0.00 1.82 1.62 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.36 1.03 7.81 9 D 8.63 4.39 0.00 2.88 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 10 L 7.63 4.19 0.00 1.65 1.63 1.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.86 4.82 0.00 2.68 2.31 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 12 V 8.24 3.90 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 0.91 0.00 0.00 1.00 0.00 0.00 13 Q 8.09 4.09 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 14 K 7.81 4.21 0.00 1.33 1.42 0.00 0.90 0.00 0.00 1.08 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.13 7.81 15 V 7.65 4.50 2.27 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 0.87 0.00 0.00 1.02 0.00 0.00 16 A 7.43 4.39 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 17 G 8.48 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 18 T 8.01 4.86 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 0.90 0.00 0.00 19 W 8.61 5.43 0.00 3.03 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 20 Y 9.20 4.86 0.00 3.03 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 21 S 8.99 4.68 0.00 3.87 3.95 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 22 L 9.20 4.51 0.00 1.82 1.65 0.95 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 23 A 7.67 5.31 1.02 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 0.00 0.00 0.00 24 M 9.17 5.30 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 25 A 9.45 5.25 1.22 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 0.00 0.00 26 A 8.76 5.25 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 27 S 8.67 4.85 0.00 3.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.87 4.91 0.00 2.66 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 29 I 8.54 3.76 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 1.48 0.64 0.92 0.00 0.00 30 S 8.23 4.20 0.00 3.99 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 0.00 31 L 7.68 4.25 0.00 1.81 1.89 0.96 0.95 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 32 L 8.02 4.58 0.00 1.54 1.60 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.83 4.51 0.00 2.66 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 34 A 8.66 4.29 1.49 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 35 Q 8.75 4.17 0.00 1.85 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.17 1.59 0.00 36 S 8.17 4.74 0.00 4.09 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 0.00 37 A 7.78 4.21 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.08 2.02 0.00 3.88 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 2.05 2.13 0.00 39 L 8.76 3.93 0.00 1.98 1.95 1.00 1.00 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 40 R 7.46 4.17 0.00 1.84 2.04 0.00 3.29 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 41 V 7.43 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 0.82 0.00 0.00 0.95 0.00 0.00 42 Y 8.89 4.57 0.00 2.82 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 43 V 8.50 3.86 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 0.72 0.00 0.00 1.03 0.00 0.00 44 E 9.54 4.48 0.00 2.01 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 2.21 2.23 0.00 45 E 7.86 5.23 0.00 1.99 1.72 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 2.32 2.37 0.00 46 L 9.26 5.00 0.00 1.97 1.59 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.11 4.77 0.00 1.59 1.67 0.00 1.65 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 48 P 0.00 5.06 0.00 2.08 2.17 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 49 T 8.72 4.73 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 1.20 0.00 0.00 50 P 0.00 4.23 0.00 2.07 2.17 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 51 G 8.07 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 0.00 0.00 0.00 53 D 7.87 4.95 0.00 2.67 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 L 8.80 4.67 0.00 1.12 0.77 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.01 4.54 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 64 G 8.49 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 0.00 0.00 0.00 *65 K 6.93 4.55 0.00 1.44 1.62 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 1.27 7.81 66 C 8.79 5.14 0.00 2.88 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 67 A 8.80 4.84 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 68 Q 8.72 4.70 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 69 K 9.11 4.61 0.00 1.70 1.66 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 70 K 8.73 4.72 0.00 1.62 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.45 7.81 71 I 8.52 4.50 1.95 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 1.22 0.70 0.87 0.00 0.00 72 I 8.50 4.48 1.86 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 1.26 0.49 0.90 0.00 0.00 73 A 8.76 4.84 1.14 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 0.00 0.00 74 E 9.09 4.98 0.00 1.99 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 2.30 2.46 0.00 75 K 8.81 4.11 0.00 2.23 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.31 7.81 76 T 7.81 4.69 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 1.21 0.00 0.00 77 E 8.94 4.02 0.00 2.01 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 2.24 1.93 0.00 78 I 7.14 4.39 1.78 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 1.24 0.67 0.86 0.00 0.00 79 P 0.00 4.05 0.00 2.01 2.11 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 80 A 7.73 4.43 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 81 V 7.18 4.85 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 0.79 0.00 0.00 0.89 0.00 0.00 82 F 9.20 5.10 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.12 5.02 0.00 1.93 1.70 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.23 7.81 84 I 8.42 4.94 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.98 0.00 0.00 85 D 8.11 5.22 0.00 2.59 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 86 A 8.37 4.60 1.24 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 87 L 8.93 3.81 0.00 1.80 1.77 0.96 1.11 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 88 N 8.33 4.26 0.00 2.82 2.86 0.00 0.00 7.04 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 89 E 8.24 4.78 0.00 2.14 1.87 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 2.53 2.40 0.00 90 N 9.03 5.89 0.00 2.80 2.99 0.00 0.00 6.75 6.36 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 91 K 7.98 5.20 0.00 1.40 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 0.98 7.81 92 V 8.95 4.89 2.18 0.00 0.00 0.00 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 0.94 0.00 0.00 93 L 9.05 5.16 0.00 1.64 1.64 0.97 0.78 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 94 V 8.46 4.04 2.21 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 0.78 0.00 0.00 0.98 0.00 0.00 95 L 8.59 4.34 0.00 1.68 1.78 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.82 4.47 0.00 2.85 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 97 T 8.08 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 98 D 7.11 4.61 0.00 2.90 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 99 Y 7.50 4.10 0.00 3.23 3.40 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 0.00 100 K 8.80 4.38 0.00 1.75 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 101 K 8.36 4.75 0.00 1.39 1.72 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 0.97 7.81 102 Y 8.78 5.77 0.00 3.04 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 0.00 103 L 8.88 4.64 0.00 0.67 0.49 0.51 0.31 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 0.00 104 L 9.34 5.23 0.00 1.73 1.71 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.60 5.47 0.00 3.11 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 0.00 106 C 9.10 5.35 0.00 2.87 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 0.00 107 M 8.93 5.66 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 108 E 8.84 5.30 0.00 2.05 2.05 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 2.18 2.06 0.00 109 N 8.23 5.32 0.00 2.95 2.75 0.00 0.00 7.30 6.92 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 0.00 110 S 9.50 4.19 0.00 4.00 4.01 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 0.00 111 A 7.83 4.16 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 0.00 112 E 8.12 4.80 0.00 2.15 2.05 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 2.20 2.29 0.00 113 P 0.00 4.38 0.00 2.06 2.33 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 114 E 8.26 4.07 0.00 2.03 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 2.39 2.33 0.00 115 Q 7.57 4.30 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 116 S 7.74 4.69 0.00 4.10 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 0.00 117 L 7.91 4.58 0.00 2.06 1.58 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.88 5.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.41 5.29 0.00 2.87 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 0.00 120 Q 8.40 4.68 0.00 1.10 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 121 C 7.24 4.52 0.00 1.63 2.23 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 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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 0.00 131 E 8.26 4.13 0.00 2.16 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 2.37 0.00 132 A 8.48 3.59 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 0.00 133 M 7.91 4.13 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 134 E 8.23 4.00 0.00 2.05 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 2.28 2.30 0.00 135 K 7.78 3.94 0.00 1.78 1.80 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.31 7.81 136 F 8.46 4.47 0.00 3.09 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 0.00 137 D 8.52 4.11 0.00 2.85 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 0.00 138 K 8.00 3.92 0.00 1.95 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.47 7.81 139 A 8.27 4.09 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 0.00 140 L 7.61 3.88 0.00 1.63 1.48 0.00 0.08 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 0.00 141 K 7.45 3.78 0.00 1.78 1.84 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 142 A 7.37 4.24 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 0.00 143 L 7.09 4.42 0.00 1.56 1.54 0.85 0.89 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 0.00 144 P 0.00 4.49 0.00 2.20 2.19 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 145 M 7.49 4.66 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 146 H 8.60 4.95 0.00 3.10 3.27 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.44 4.57 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 1.26 0.99 0.00 0.00 148 R 8.62 5.16 0.00 1.76 1.70 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 149 L 9.23 4.89 0.00 1.30 1.08 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.24 4.90 0.00 3.74 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 0.00 151 F 8.61 5.27 0.00 3.02 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 0.00 152 N 9.15 4.77 0.00 2.98 2.98 0.00 0.00 7.03 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 0.00 153 P 0.00 4.22 0.00 2.15 2.25 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 154 T 7.89 4.05 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 1.25 0.00 0.00 155 Q 8.55 4.10 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 156 L 7.94 3.99 0.00 1.74 1.51 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.04 4.11 0.00 2.09 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 2.26 2.31 0.00 158 E 7.81 4.51 0.00 2.30 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 2.20 2.32 0.00 159 Q 8.09 3.42 0.00 2.14 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 160 C 8.72 2.76 0.00 3.01 3.15 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 0.00 0.00 0.00 161 R 7.31 3.93 0.00 1.90 1.79 0.00 3.11 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 162 V 7.93 3.92 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 0.86 0.00 0.00 1.10 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.