NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2377 8.2601 123.5791 52.3879 20.1263 176.2679 2 A 4.5232 8.2185 121.2049 51.8122 19.0274 173.4221 3 E 4.7999 7.6205 119.6948 54.6538 34.0340 175.0815 4 K 4.4295 8.2920 119.7779 56.4695 34.5104 177.0083 5 K 4.5380 8.1759 119.1314 55.3707 34.9739 174.3065 6 A 5.0122 8.4750 120.8926 51.0766 22.7279 175.6838 7 V 4.5686 8.2118 121.6306 60.7949 34.7193 174.4087 8 L 4.5860 9.1087 131.1200 54.7222 42.7556 175.9587 9 F 4.7784 9.1024 127.6959 56.8126 39.4710 175.1603 10 V 5.2664 8.7567 123.4139 60.8766 35.2257 174.0028 11 C 4.7724 8.0199 121.8070 57.8177 39.3325 173.4524 12 L 5.0166 8.0913 126.7360 57.0435 43.9845 173.0816 13 G 4.0181 8.3478 112.9667 44.1036 0.0000 173.9854 14 N 4.4481 8.2736 115.0297 53.9812 37.9210 174.9704 15 I 4.1686 7.5409 116.2117 62.9797 38.4537 175.7220 16 C 4.8482 7.6317 114.9606 58.6361 31.6856 173.4656 17 R 3.8029 8.3589 118.2721 56.4752 27.1895 175.9853 18 S 4.9493 7.2055 125.5859 59.3003 66.0040 178.5251 19 P 4.3581 0.0000 0.0000 64.3855 31.5838 176.6060 20 A 4.2730 7.6736 121.1782 53.1357 19.9136 178.8669 21 C 3.7232 7.6662 114.1034 62.4435 27.9478 175.4612 22 E 3.9468 8.1475 119.9113 59.6341 28.9707 179.7552 23 G 3.3932 7.7837 104.6214 47.6863 0.0000 175.1860 24 I 3.5594 7.3967 122.6208 64.5187 37.1899 178.2396 25 C 4.1366 8.2428 117.3908 62.8322 27.8976 176.1831 26 R 3.9196 8.0253 119.7141 59.5297 29.5200 178.4454 27 D 4.5094 8.1985 116.2998 56.2122 41.1509 178.2002 28 M 4.4105 8.0129 119.0066 57.7131 32.1389 178.1960 29 V 4.2889 8.5612 109.9129 61.4124 34.1824 173.3416 30 G 3.7390 8.7977 106.9968 46.7619 0.0000 172.7010 31 D 4.3045 8.0481 122.1339 54.2398 38.4184 172.7420 32 K 4.4247 8.1056 126.6011 56.1227 33.8902 178.7541 33 L 3.4576 7.1712 121.3861 55.3572 41.3047 174.7851 34 I 3.5330 8.2006 109.8877 61.4754 37.2579 174.1895 35 I 4.6961 7.5025 124.1906 60.8004 35.8817 174.3141 36 D 4.8616 8.7131 125.8404 51.5021 41.1788 173.9070 37 S 4.8749 8.2612 115.3055 58.4892 64.1338 173.9559 38 A 4.8486 8.8463 124.4570 51.1275 22.5851 174.4425 39 A 4.3908 8.3147 117.2648 51.4189 22.3061 176.3206 40 T 4.1986 8.9336 110.0601 61.7846 69.9047 175.5748 41 S 4.5697 7.5897 121.0728 55.0270 61.5612 172.7180 42 G 3.8577 8.2323 109.3757 45.9279 0.0000 170.5032 43 F 4.4274 8.7572 123.3749 56.7541 40.9344 175.6963 44 H 4.8920 8.2849 117.3375 53.8906 29.2875 172.9878 45 V 4.4276 7.9143 123.5442 61.7063 34.2996 175.2741 46 G 4.2696 8.8820 111.7794 46.3911 0.0000 173.4129 47 Q 4.4890 7.9910 112.8491 55.0414 29.5356 174.0271 48 S 4.9643 7.8155 112.6532 55.8016 65.4289 172.0613 49 P 4.2579 0.0000 0.0000 65.9645 31.5763 176.8561 50 D 4.8565 8.4556 124.0333 55.3866 39.3545 176.5997 51 T 3.9238 7.4396 114.2272 65.9069 68.3775 176.9034 52 R 3.4994 7.6165 120.7573 59.1457 30.2136 178.0650 53 S 3.7866 7.4286 112.1812 61.4205 62.5113 175.7535 54 Q 3.8513 8.0252 122.1558 59.1687 28.6815 177.6146 55 K 3.7625 8.0125 120.9450 59.6569 32.1236 178.7540 56 V 3.5798 7.9034 119.0654 65.1487 30.8952 177.9915 57 C 4.0273 8.0968 117.1261 62.8865 27.8151 176.4363 58 K 3.9023 7.8648 119.6527 58.6983 31.7063 178.8593 59 S 4.3347 8.1121 111.6511 59.7726 62.4559 174.5834 60 N 4.9984 9.4875 117.6579 53.7161 41.4619 172.7327 61 G 3.1997 7.6677 109.1997 43.9812 0.0000 172.3164 62 V 4.1292 7.1001 121.8145 62.0394 34.7696 172.5707 63 D 4.4516 8.3363 125.6289 52.0458 41.2168 174.4293 64 I 4.5842 7.9663 123.3389 60.2922 38.3659 175.8034 65 S 4.6111 8.6015 108.0697 59.4977 67.3453 174.5562 66 K 4.6061 7.6081 117.1715 54.5711 35.8213 175.3406 67 Q 4.5183 8.4673 120.1437 54.1001 31.3656 175.4978 68 R 4.4636 8.3592 119.0602 54.4953 32.0771 174.5447 69 A 4.9889 8.9684 126.3075 51.8089 18.6771 176.7704 70 R 4.4856 8.3823 117.6170 54.7120 30.5829 174.9864 71 Q 3.1942 8.0757 121.1817 56.2634 29.0745 172.2139 72 I 4.2604 7.6698 120.2916 60.4003 39.3018 175.1300 73 T 4.4018 8.0937 115.5521 62.8138 68.5236 176.2257 74 K 3.8894 8.0307 118.1528 56.9319 29.7759 176.2906 75 A 4.2090 7.4282 123.1519 53.6149 19.2257 179.4913 76 D 3.3700 7.7059 115.5320 56.3218 39.5717 179.2731 77 F 4.3984 7.4139 117.7854 59.5780 39.1313 176.2334 78 S 4.8185 9.0325 113.0008 57.5333 63.0164 173.7073 79 K 4.2987 7.6148 119.9453 57.0778 34.0649 176.0912 80 F 5.4607 6.9717 118.5525 57.5223 39.7848 175.7661 81 D 4.8188 8.9498 118.7293 55.9811 46.2226 175.5802 82 V 5.0065 8.4427 116.9089 61.0006 35.6007 174.8036 83 I 4.9599 8.7870 125.4489 59.6159 40.4734 174.1709 84 A 5.0340 8.5775 129.5501 50.3120 20.9517 175.4520 85 A 5.1726 8.7918 123.1480 50.1145 22.0879 176.3865 86 L 4.6601 8.9807 122.7019 55.4139 42.2968 176.0330 87 D 4.5491 7.6399 117.1145 53.4374 43.4288 174.2863 88 Q 4.3985 8.7466 112.2492 57.6787 30.8521 177.1603 89 S 4.0592 8.2358 113.4742 61.6659 62.0749 176.5586 90 I 3.7373 7.6754 121.8731 64.3697 37.1763 177.9868 91 L 4.2415 7.8997 120.5105 57.8246 41.7181 178.7004 92 S 4.1965 8.1153 112.9171 60.9864 62.0461 175.4857 93 D 4.4874 8.3102 121.5569 57.2178 40.9220 178.2578 94 I 4.0733 8.1550 119.5467 64.5369 37.7057 176.7525 95 N 4.4515 7.6207 114.2410 55.4654 38.8134 176.0897 96 S 4.3978 9.2663 115.8541 60.6376 63.2475 174.5219 97 M 4.3226 7.8112 117.3516 55.9505 32.6040 176.6837 98 K 3.0482 7.6970 118.2321 55.8371 32.4128 175.1653 99 P 4.4783 0.0000 0.0000 62.7146 32.7096 176.3257 100 S 4.5874 8.4099 114.1326 58.6323 62.7400 174.6271 101 N 4.8204 7.6647 118.3721 51.5306 39.4730 172.7762 102 C 4.8032 7.9518 116.4844 57.3161 32.8010 174.3727 103 R 4.6553 8.0702 113.5651 55.8705 31.2681 174.8487 104 A 5.1405 8.2034 119.0009 50.1557 21.4997 176.7882 105 K 4.6032 8.8728 120.8669 55.4493 35.4994 175.5498 106 V 4.9644 8.2243 120.3736 61.6380 34.5719 175.1116 107 V 4.6023 9.0099 117.1445 59.9235 36.1998 173.7617 108 L 4.5250 8.6214 126.9955 54.4384 42.9461 175.4693 109 F 4.8305 9.2487 129.0343 59.7168 39.2783 175.2162 110 N 5.1334 7.9348 114.3496 50.1650 40.7260 171.8200 111 P 4.5966 0.0000 0.0000 61.4386 32.8633 174.8319 112 P 4.9827 0.0000 0.0000 61.3543 30.1368 175.3370 113 N 4.9406 7.8348 114.7374 55.8369 45.1220 174.8894 114 G 3.6310 7.2397 105.6905 47.7743 0.0000 174.6246 115 V 4.0442 7.0601 120.6245 58.4560 30.9018 175.5585 116 D 4.4723 7.9919 123.7844 54.1034 42.4710 174.9934 117 D 4.8577 8.1000 121.8463 51.9471 40.4651 173.6677 118 P 4.5656 0.0000 0.0000 62.5575 32.7171 175.6924 119 Y 4.6398 7.8963 115.1856 56.8829 41.7080 174.7973 120 Y 3.4959 9.1049 115.2457 58.5682 35.8322 170.5671 121 S 4.6576 7.6294 111.9947 58.1232 65.3168 174.0691 122 S 4.9764 8.3527 110.1829 56.8571 62.5047 172.2031 123 D 4.7181 8.2018 124.0625 54.8995 43.2929 176.3451 124 G 3.8238 7.6364 106.1452 45.9321 0.0000 175.3302 125 F 4.3055 7.9085 118.9753 60.4295 39.1394 175.8619 126 P 4.3488 0.0000 0.0000 66.2313 31.1502 178.1162 127 T 3.7755 7.8711 115.3981 66.8852 68.7285 175.0021 128 M 3.6722 9.5705 118.5874 58.6275 31.8891 177.5768 129 F 4.2430 8.1258 118.0980 61.9816 40.0989 177.5056 130 A 3.6425 7.9232 119.9600 55.6990 17.8844 178.5830 131 S 4.1937 8.5574 114.2143 59.9619 62.8374 176.0184 132 I 2.7216 7.3284 124.2919 64.0532 37.9376 177.4574 133 S 4.4799 8.5709 114.3282 60.4084 62.4110 175.9842 134 K 3.2420 7.7978 120.3876 59.1803 32.2216 176.9979 135 E 4.6478 8.3517 118.4932 56.2491 30.0118 176.1625 136 M 4.7141 9.0908 117.4429 56.5293 32.2634 177.6780 137 K 4.3151 7.9523 118.2038 59.0978 32.7864 176.2247 138 P 4.6685 0.0000 0.0000 63.6607 31.7039 176.5423 139 F 4.4486 8.0015 120.4093 60.0905 40.3603 176.9907 140 L 3.8054 7.7600 118.6676 58.6259 41.9115 178.7079 141 T 3.9362 7.3765 114.0792 66.3749 68.5011 175.1280 142 E 4.3895 7.8305 119.3408 58.2588 30.5380 177.7096 143 H 3.7959 7.9421 115.8369 57.5189 30.0340 174.1591 144 G 3.5621 6.5002 107.9940 44.5992 0.0000 171.6707 145 L 4.5764 6.7551 121.9203 54.9430 49.8100 175.6205 146 I 4.1387 7.4323 124.1530 61.2502 38.2786 175.3579 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 A 8.26 4.24 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 2 A 8.22 4.52 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 3 E 7.62 4.80 0.00 1.91 1.84 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 2.20 2.31 0.00 4 K 8.29 4.43 0.00 1.87 1.81 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 5 K 8.18 4.54 0.00 1.78 1.70 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.56 7.81 6 A 8.48 5.01 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 7 V 8.21 4.57 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 0.61 0.00 0.00 1.02 0.00 0.00 8 L 9.11 4.59 0.00 1.97 1.60 1.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.10 4.78 0.00 3.08 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 10 V 8.76 5.27 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 1.32 0.00 0.00 1.09 0.00 0.00 11 C 8.02 4.77 0.00 3.10 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 12 L 8.09 5.02 0.00 1.75 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.35 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 0.00 0.00 0.00 14 N 8.27 4.45 0.00 3.01 2.98 0.00 0.00 7.36 7.97 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 15 I 7.54 4.17 2.03 0.00 0.00 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 1.39 1.04 1.09 0.00 0.00 16 C 7.63 4.85 0.00 3.09 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 17 R 8.36 3.80 0.00 1.95 1.99 0.00 3.29 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 18 S 7.21 4.95 0.00 4.09 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.36 0.00 2.16 2.18 0.00 3.69 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 2.01 2.13 0.00 20 A 7.67 4.27 1.20 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 0.00 0.00 0.00 21 C 7.67 3.72 0.00 2.70 1.61 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 22 E 8.15 3.95 0.00 1.92 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 2.36 2.37 0.00 23 G 7.78 3.39 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 0.00 24 I 7.40 3.56 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.68 0.84 0.00 0.00 25 C 8.24 4.14 0.00 3.02 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 26 R 8.03 3.92 0.00 1.97 2.00 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 27 D 8.20 4.51 0.00 2.77 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 28 M 8.01 4.41 0.00 2.04 2.25 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 2.71 2.79 0.00 29 V 8.56 4.29 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 0.55 0.00 0.00 1.03 0.00 0.00 30 G 8.80 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 0.00 0.00 0.00 31 D 8.05 4.30 0.00 2.81 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 32 K 8.11 4.42 0.00 1.83 1.84 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.39 7.81 33 L 7.17 3.46 0.00 1.91 1.70 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.20 3.53 1.95 0.00 0.00 1.00 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 0.46 0.98 0.00 0.00 35 I 7.50 4.70 1.85 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 1.29 0.68 0.89 0.00 0.00 36 D 8.71 4.86 0.00 2.39 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 0.00 0.00 0.00 0.00 37 S 8.26 4.87 0.00 3.91 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 38 A 8.85 4.85 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 39 A 8.31 4.39 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 40 T 8.93 4.20 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 41 S 7.59 4.57 0.00 3.80 3.73 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 42 G 8.23 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.76 4.43 0.00 3.02 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 44 H 8.28 4.89 0.00 3.16 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.91 4.43 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 1.16 0.00 0.00 0.98 0.00 0.00 46 G 8.88 4.27 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 0.00 47 Q 7.99 4.49 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.31 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 48 S 7.82 4.96 0.00 3.95 4.15 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 49 P 0.00 4.26 0.00 2.19 2.19 0.00 4.25 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 50 D 8.46 4.86 0.00 2.90 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 51 T 7.44 3.92 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 1.15 0.00 0.00 52 R 7.62 3.50 0.00 1.64 1.46 0.00 2.96 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 53 S 7.43 3.79 0.00 4.17 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 54 Q 8.03 3.85 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.44 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 55 K 8.01 3.76 0.00 1.79 1.77 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.38 7.81 56 V 7.90 3.58 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 0.78 0.00 0.00 1.10 0.00 0.00 57 C 8.10 4.03 0.00 3.09 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 58 K 7.86 3.90 0.00 1.83 1.85 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.59 7.81 59 S 8.11 4.33 0.00 3.85 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 60 N 9.49 5.00 0.00 3.41 2.87 0.00 0.00 6.89 7.18 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 61 G 7.67 3.20 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 0.00 0.00 0.00 0.00 62 V 7.10 4.13 1.79 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 0.65 0.00 0.00 -0.27 0.00 0.00 63 D 8.34 4.45 0.00 2.69 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 64 I 7.97 4.58 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.87 0.00 0.00 65 S 8.60 4.61 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.61 4.61 0.00 1.68 1.69 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.51 7.81 67 Q 8.47 4.52 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 68 R 8.36 4.46 0.00 1.87 1.87 0.00 3.04 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 69 A 8.97 4.99 1.43 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 0.00 0.00 0.00 70 R 8.38 4.49 0.00 1.89 1.97 0.00 3.38 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 71 Q 8.08 3.19 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 72 I 7.67 4.26 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.94 0.00 0.00 73 T 8.09 4.40 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 1.20 0.00 0.00 74 K 8.03 3.89 0.00 1.95 2.07 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.40 7.81 75 A 7.43 4.21 1.13 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 0.00 0.00 76 D 7.71 3.37 0.00 2.58 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 77 F 7.41 4.40 0.00 3.14 3.02 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 78 S 9.03 4.82 0.00 3.62 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 79 K 7.61 4.30 0.00 1.22 0.74 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 1.42 7.81 80 F 6.97 5.46 0.00 3.02 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 81 D 8.95 4.82 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.44 5.01 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 0.99 0.00 0.00 0.90 0.00 0.00 83 I 8.79 4.96 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.99 0.00 0.00 84 A 8.58 5.03 0.32 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 85 A 8.79 5.17 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 86 L 8.98 4.66 0.00 1.87 1.73 1.03 1.30 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 87 D 7.64 4.55 0.00 2.77 2.47 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 0.00 0.00 0.00 0.00 88 Q 8.75 4.40 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 89 S 8.24 4.06 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.68 3.74 1.92 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 1.56 0.25 0.97 0.00 0.00 91 L 7.90 4.24 0.00 1.80 1.69 0.96 0.87 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 S 8.12 4.20 0.00 3.91 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 93 D 8.31 4.49 0.00 2.96 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 94 I 8.16 4.07 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 1.01 0.00 0.00 95 N 7.62 4.45 0.00 3.12 2.81 0.00 0.00 7.28 7.50 0.00 0.00 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 S 9.27 4.40 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 7.81 4.32 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 98 K 7.70 3.05 0.00 1.52 1.45 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.25 7.81 99 P 0.00 4.48 0.00 2.11 2.04 0.00 3.32 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 100 S 8.41 4.59 0.00 3.84 3.87 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 0.00 0.00 0.00 101 N 7.66 4.82 0.00 2.62 2.69 0.00 0.00 6.81 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 C 7.95 4.80 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 0.00 103 R 8.07 4.66 0.00 1.81 1.90 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 104 A 8.20 5.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.87 4.60 0.00 1.82 1.92 0.00 1.18 0.00 0.00 1.50 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.36 7.81 106 V 8.22 4.96 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 0.89 0.00 0.00 1.04 0.00 0.00 107 V 9.01 4.60 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 0.68 0.00 0.00 1.24 0.00 0.00 108 L 8.62 4.53 0.00 1.69 1.62 0.99 0.83 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 0.00 109 F 9.25 4.83 0.00 3.28 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 0.00 110 N 7.93 5.13 0.00 2.78 2.70 0.00 0.00 5.65 7.57 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 0.00 111 P 0.00 4.60 0.00 2.25 2.27 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 112 P 0.00 4.98 0.00 2.20 2.17 0.00 3.39 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 113 N 7.83 4.94 0.00 2.63 2.79 0.00 0.00 7.21 7.97 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 0.00 114 G 7.24 3.63 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 0.00 0.00 0.00 115 V 7.06 4.04 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 0.77 0.00 0.00 0.92 0.00 0.00 116 D 7.99 4.47 0.00 2.63 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 0.00 117 D 8.10 4.86 0.00 2.60 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 0.00 118 P 0.00 4.57 0.00 2.14 1.98 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 119 Y 7.90 4.64 0.00 3.12 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 0.00 120 Y 9.10 3.50 0.00 3.15 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 0.00 121 S 7.63 4.66 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.35 4.98 0.00 4.05 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 0.00 123 D 8.20 4.72 0.00 2.59 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 0.00 124 G 7.64 3.82 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 0.00 0.00 0.00 125 F 7.91 4.31 0.00 3.14 3.06 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 0.00 126 P 0.00 4.35 0.00 2.26 2.32 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 127 T 7.87 3.78 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 1.22 0.00 0.00 128 M 9.57 3.67 0.00 2.41 1.85 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 129 F 8.13 4.24 0.00 3.10 3.04 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 0.00 130 A 7.92 3.64 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 0.00 131 S 8.56 4.19 0.00 3.98 3.58 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 0.00 0.00 0.00 0.00 132 I 7.33 2.72 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.96 0.00 0.00 133 S 8.57 4.48 0.00 4.40 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 0.00 134 K 7.80 3.24 0.00 1.84 2.00 0.00 1.47 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.51 7.81 135 E 8.35 4.65 0.00 1.88 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 2.54 2.51 0.00 136 M 9.09 4.71 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 3.19 0.00 137 K 7.95 4.32 0.00 1.92 1.89 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.55 7.81 138 P 0.00 4.67 0.00 2.32 2.23 0.00 3.96 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 2.16 2.12 0.00 139 F 8.00 4.45 0.00 2.92 3.04 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 0.00 140 L 7.76 3.81 0.00 2.26 1.75 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.38 3.94 4.47 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 0.00 0.00 0.00 1.26 0.00 0.00 142 E 7.83 4.39 0.00 1.87 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 2.23 2.31 0.00 143 H 7.94 3.80 0.00 2.82 3.17 0.00 5.83 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 0.00 144 G 6.50 3.56 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 0.00 0.00 0.00 145 L 6.76 4.58 0.00 1.74 1.58 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.43 4.14 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 1.29 0.90 0.94 0.00 0.00