NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1637 8.3149 120.1340 56.3244 32.4585 175.4670 2 K 4.1410 8.4363 125.2661 54.5195 31.5254 174.7853 3 D 4.6528 8.1166 124.2945 51.8959 42.3131 175.6612 4 V 3.4832 7.7059 118.9281 60.6168 32.8993 177.1286 5 E 4.2897 7.4180 120.4615 55.1004 28.3909 174.2681 6 Y 5.0185 6.8962 116.4076 56.3446 42.5564 176.3046 7 R 4.6713 8.6297 118.3012 53.6086 33.4423 172.9375 8 P 4.4735 0.0000 0.0000 63.2963 31.8697 175.5688 9 L 4.8402 9.2573 127.1308 53.5022 45.7283 174.8586 10 T 5.0078 8.3257 119.1323 61.8727 70.8198 173.3928 11 L 5.0647 9.1815 128.1993 53.1666 45.9186 174.5422 12 N 5.1685 9.2681 124.8250 52.0065 40.5402 173.8040 13 A 4.3561 9.1795 130.3480 51.8479 19.4921 175.8927 14 L 5.1309 8.7455 123.8276 53.7954 46.8064 174.6593 15 L 5.1978 8.3293 120.1005 53.4736 44.1002 176.3713 16 A 4.5132 8.5963 122.8954 52.0741 19.1337 178.6603 17 V 3.6049 8.4145 120.6935 65.9802 31.6651 176.8177 18 G 4.0957 7.1317 116.4739 45.9173 0.0000 172.5426 19 P 4.3293 0.0000 0.0000 64.3368 32.1348 177.3403 20 G 4.1604 7.7178 107.7253 45.0357 0.0000 173.3539 21 A 5.4705 7.2367 120.1898 50.3085 17.1346 177.8479 22 G 3.4489 7.2006 112.4624 45.7997 0.0000 173.8225 23 E 4.6221 7.6198 118.3603 55.9075 29.5860 176.8929 24 A 4.2226 7.5923 123.0724 54.2077 19.1045 178.6269 25 Q 4.2208 7.3601 113.3042 55.9271 31.7320 173.9021 26 G 3.5461 8.1077 117.0241 44.2790 0.0000 170.7985 27 V 4.3884 8.1499 125.1087 60.1248 34.0423 172.5836 28 P 4.8275 0.0000 0.0000 62.8909 31.5581 175.5727 29 V 4.4981 9.0618 125.3732 60.9528 34.6517 174.2656 30 K 5.1480 8.4882 123.6269 55.1962 34.6193 175.9080 31 V 4.5432 8.5632 115.2934 60.3700 36.6200 173.6870 32 L 5.1392 8.2012 119.2157 53.1367 44.8278 177.6117 33 D 4.3119 8.9079 120.5322 56.3402 42.4198 176.8338 34 C 4.6757 7.8434 117.6642 58.9130 32.2206 173.7424 35 D 4.7131 7.4458 120.1623 52.6110 40.6124 175.4860 36 T 4.9368 8.0322 107.2887 59.6411 73.1959 174.3561 37 I 3.7448 8.3013 123.2209 64.8096 37.2409 179.0509 38 S 4.1027 8.0261 115.4423 61.6650 62.6847 176.4435 39 Q 4.1057 8.3668 122.2858 59.0995 28.7673 177.9915 40 A 4.0023 8.8513 122.4985 54.9444 18.3845 179.3421 41 K 3.7947 8.3170 118.3679 59.7260 32.1165 178.9221 42 E 3.8686 7.9587 118.3936 59.3492 28.1209 179.4642 43 K 3.9689 8.1643 118.5708 59.7778 31.8977 179.4102 44 M 4.2981 8.1729 118.4711 58.2273 32.0176 178.5098 45 L 4.1548 8.0841 120.1298 58.6337 40.1534 178.4929 46 D 4.0066 8.4169 119.3473 57.4546 40.7236 178.6079 47 Q 4.0854 7.5265 117.7518 58.2849 29.0465 177.0953 48 L 4.4114 7.9550 115.9495 56.4162 42.8853 176.7109 49 Y 4.4946 9.0147 116.8299 57.2519 38.3195 175.2035 50 K 4.2048 7.5875 120.8310 58.0775 32.2667 176.4714 51 G 4.0027 9.0445 114.5475 45.0622 0.0000 173.1422 52 V 3.8191 7.6203 120.7514 61.4364 32.1852 174.1243 53 P 4.5615 0.0000 0.0000 62.2412 32.1728 177.2712 54 L 3.9707 8.5131 118.6405 58.2552 41.6176 179.9096 55 T 3.8929 7.8497 111.2803 64.5129 67.5102 174.7996 56 Q 4.2150 7.7533 118.9743 57.4512 29.2904 176.3092 57 R 3.9189 7.4930 117.5048 55.2908 30.0812 174.8677 58 P 4.3794 0.0000 0.0000 62.3679 32.2789 176.1059 59 D 4.5866 8.4421 122.2451 53.3614 41.5431 175.4547 60 P 4.6774 0.0000 0.0000 63.1515 31.1887 177.0105 61 R 4.2504 7.7814 116.3086 58.0869 30.3706 177.2562 62 T 4.2262 7.9151 112.1508 62.5288 67.6404 174.1360 63 L 5.0256 7.6079 120.5243 53.9043 44.1779 175.0265 64 D 5.0701 9.0867 121.2937 52.7709 43.5481 175.6817 65 V 4.6682 8.0177 121.4533 60.0209 33.7052 174.4062 66 E 4.7889 9.3214 128.5116 54.6829 30.7698 174.5932 67 W 4.6010 9.6527 135.0000 56.8413 32.4044 175.3609 68 R 5.0334 9.1092 127.8823 54.5507 29.4462 176.8444 69 S 4.2718 9.0982 118.9278 59.3060 63.4891 175.9039 70 G 4.3755 8.6138 115.0619 45.8668 0.0000 176.1132 71 V 3.5328 7.7038 112.0970 63.2395 31.6250 177.1232 72 A 4.5590 7.8702 119.1348 51.7280 20.9720 176.7446 73 G 4.1753 8.4058 104.5476 44.0950 0.0000 176.1730 74 H 5.8172 8.6574 116.7824 53.7243 31.3810 171.1796 75 L 4.7808 9.3268 122.8857 53.2186 45.8755 175.1519 76 I 4.4284 8.2929 125.9362 61.0722 37.4000 175.3023 77 L 4.7983 9.1306 127.4296 53.6162 44.6632 175.6603 78 S 4.7856 8.2632 115.1366 57.6153 66.7882 174.5519 79 D 4.4400 9.0741 121.7650 55.7992 38.7990 176.2202 80 E 4.8795 8.0229 119.2226 52.9111 31.0092 173.4928 81 D 4.8455 8.0045 122.7384 54.9446 44.1649 177.4799 82 V 3.7020 7.9028 124.1078 63.8109 32.8052 177.4660 83 T 4.5498 7.7085 108.9765 60.7772 68.9745 175.6532 84 S 4.5508 7.4962 115.1182 58.9911 62.5796 173.7010 85 E 4.0595 7.9610 119.9490 56.8927 29.2863 176.7505 86 V 4.3296 8.2686 125.1933 61.1258 30.9902 174.3346 87 Q 4.7339 8.2735 120.8913 55.6986 32.7163 175.1982 88 G 3.9060 7.8516 110.8599 45.8348 0.0000 174.6379 89 L 4.2579 8.4521 128.6782 55.8477 41.6111 178.6490 90 F 4.3863 7.7231 119.1176 60.5487 39.0662 174.1426 91 R 4.7054 7.2297 117.2742 56.6934 29.8567 176.0343 92 R 4.7004 8.1622 125.2700 54.9711 33.1753 174.2530 93 L 4.5526 8.4776 125.4431 54.7530 42.7602 176.3144 94 N 4.8138 8.8876 121.0372 52.9186 40.1808 174.9154 95 T 4.7430 8.2518 112.2211 59.5609 71.6594 175.3071 96 L 3.6356 9.3984 122.9969 58.3889 40.1257 179.2791 97 Q 4.0168 7.6024 118.1497 59.2188 28.4687 177.7412 98 H 4.3507 7.6324 119.8598 59.2985 30.0312 176.1727 99 Y 4.2978 7.8026 118.8276 57.5328 39.6624 174.6241 100 K 3.7354 7.6176 117.8446 57.6395 29.9121 176.0560 101 V 3.7125 7.1590 110.7776 60.2147 32.8330 175.2481 102 P 4.5514 0.0000 0.0000 61.7442 32.3120 175.2595 103 D 4.4061 8.4242 119.7902 55.1317 39.5144 176.3818 104 G 3.9695 9.3614 113.4004 45.0737 0.0000 173.1383 105 A 4.4266 7.8798 121.3508 51.8214 20.2533 177.2813 106 T 4.8114 8.7248 115.7360 61.7833 71.5891 174.0399 107 V 4.2548 8.3285 118.8070 59.2141 34.7498 174.6258 108 A 5.8258 9.2036 126.1076 48.8699 22.5230 174.7996 109 L 5.2378 8.4051 119.8648 54.0140 44.2308 175.6895 110 V 4.7283 8.8456 114.0015 58.9757 35.6730 173.9418 111 P 4.4365 0.0000 0.0000 63.0817 29.1350 175.1537 112 C 4.4320 7.8658 123.4778 60.0959 28.4516 172.2961 113 L 4.5134 9.0751 123.6742 57.2014 44.1130 177.0213 114 T 4.6711 7.5489 110.6982 60.6340 67.8347 174.1578 115 K 4.1930 7.7426 127.7286 55.7151 31.6673 178.3360 116 H 4.4783 7.6661 115.1905 55.8157 28.4827 175.1928 117 V 4.5914 7.7408 119.5346 58.7978 34.8306 175.3210 118 L 4.0553 8.4254 120.5998 56.4793 40.5160 176.4131 119 R 4.6160 8.2030 117.5633 53.7933 32.2737 174.9489 120 E 4.2014 8.5183 117.1745 55.9012 29.8402 175.8387 121 N 4.5824 8.2705 120.3798 52.5216 42.0230 173.9440 122 Q 4.1771 8.7568 122.7772 56.4370 29.0235 175.5381 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 K 8.31 4.16 0.00 1.77 2.07 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 2 K 8.44 4.14 0.00 1.78 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 3 D 8.12 4.65 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.48 1.92 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 0.67 0.00 0.00 0.84 0.00 0.00 5 E 7.42 4.29 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 2.12 2.22 0.00 6 Y 6.90 5.02 0.00 2.81 2.91 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 7 R 8.63 4.67 0.00 1.77 1.91 0.00 3.34 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 8 P 0.00 4.47 0.00 1.96 2.05 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 9 L 9.26 4.84 0.00 1.91 1.55 0.97 0.96 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 10 T 8.33 5.01 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 1.21 0.00 0.00 11 L 9.18 5.06 0.00 1.69 1.41 0.83 0.18 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 12 N 9.27 5.17 0.00 2.80 2.71 0.00 0.00 6.88 8.21 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 13 A 9.18 4.36 1.23 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 0.00 0.00 14 L 8.75 5.13 0.00 1.68 1.56 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.33 5.20 0.00 1.82 1.69 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.60 4.51 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 17 V 8.41 3.60 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 0.81 0.00 0.00 0.97 0.00 0.00 18 G 7.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.33 0.00 2.18 2.20 0.00 3.71 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 1.98 1.97 0.00 20 G 7.72 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 21 A 7.24 5.47 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 22 G 7.20 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.62 4.62 0.00 1.98 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 2.18 2.22 0.00 24 A 7.59 4.22 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 25 Q 7.36 4.22 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.96 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 26 G 8.11 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 0.00 0.00 0.00 0.00 27 V 8.15 4.39 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 0.93 0.00 0.00 0.94 0.00 0.00 28 P 0.00 4.83 0.00 2.11 2.08 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 29 V 9.06 4.50 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 0.82 0.00 0.00 0.98 0.00 0.00 30 K 8.49 5.15 0.00 1.65 1.69 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 31 V 8.56 4.54 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 0.78 0.00 0.00 1.03 0.00 0.00 32 L 8.20 5.14 0.00 1.40 1.38 -0.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.91 4.31 0.00 2.95 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 34 C 7.84 4.68 0.00 3.13 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 35 D 7.45 4.71 0.00 2.81 2.88 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 36 T 8.03 4.94 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 1.22 0.00 0.00 37 I 8.30 3.74 1.98 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 1.69 1.03 1.00 0.00 0.00 38 S 8.03 4.10 0.00 3.87 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 39 Q 8.37 4.11 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 40 A 8.85 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 3.79 0.00 1.98 1.99 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.42 7.81 42 E 7.96 3.87 0.00 2.23 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 2.28 2.64 0.00 43 K 8.16 3.97 0.00 1.75 1.84 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.61 7.81 44 M 8.17 4.30 0.00 1.88 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.84 0.00 45 L 8.08 4.15 0.00 1.11 1.52 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.42 4.01 0.00 3.02 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 47 Q 7.53 4.09 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 48 L 7.95 4.41 0.00 1.97 1.67 0.97 0.86 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 49 Y 9.01 4.49 0.00 2.90 2.94 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 0.00 0.00 0.00 50 K 7.59 4.20 0.00 1.83 1.77 0.00 1.46 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.49 7.81 51 G 9.04 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 52 V 7.62 3.82 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 0.99 0.00 0.00 1.12 0.00 0.00 53 P 0.00 4.56 0.00 2.27 2.19 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 L 8.51 3.97 0.00 1.73 1.76 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.85 3.89 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 56 Q 7.75 4.22 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 57 R 7.49 3.92 0.00 1.88 1.81 0.00 3.15 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 58 P 0.00 4.38 0.00 1.98 1.96 0.00 3.48 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 1.95 2.09 0.00 59 D 8.44 4.59 0.00 2.78 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 60 P 0.00 4.68 0.00 2.19 2.16 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 61 R 7.78 4.25 0.00 1.93 2.33 0.00 3.24 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 62 T 7.92 4.23 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 1.28 0.00 0.00 63 L 7.61 5.03 0.00 1.82 1.70 0.92 0.81 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 64 D 9.09 5.07 0.00 2.58 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 65 V 8.02 4.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 66 E 9.32 4.79 0.00 2.04 1.89 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 2.33 2.32 0.00 67 W 9.65 4.60 0.00 3.60 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.11 5.03 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 69 S 9.10 4.27 0.00 3.69 3.53 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 70 G 8.61 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 71 V 7.70 3.53 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 0.78 0.00 0.00 0.86 0.00 0.00 72 A 7.87 4.56 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 73 G 8.41 4.18 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 0.00 74 H 8.66 5.82 0.00 3.27 3.33 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.33 4.78 0.00 1.30 0.71 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.29 4.43 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.88 0.86 0.00 0.00 77 L 9.13 4.80 0.00 1.72 1.61 0.52 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.26 4.79 0.00 3.71 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 79 D 9.07 4.44 0.00 2.83 2.95 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 80 E 8.02 4.88 0.00 2.20 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 0.00 2.24 2.21 0.00 81 D 8.00 4.85 0.00 2.70 2.41 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 82 V 7.90 3.70 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 0.78 0.00 0.00 0.86 0.00 0.00 83 T 7.71 4.55 4.54 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 1.26 0.00 0.00 84 S 7.50 4.55 0.00 3.98 3.96 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 85 E 7.96 4.06 0.00 1.87 1.85 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 2.19 2.22 0.00 86 V 8.27 4.33 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 0.96 0.00 0.00 1.02 0.00 0.00 87 Q 8.27 4.73 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 88 G 7.85 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 0.00 0.00 0.00 89 L 8.45 4.26 0.00 1.73 1.77 0.30 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.72 4.39 0.00 3.35 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 91 R 7.23 4.71 0.00 1.89 1.91 0.00 3.14 0.00 0.00 3.02 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 92 R 8.16 4.70 0.00 1.83 1.85 0.00 3.26 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 93 L 8.48 4.55 0.00 1.58 1.59 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.89 4.81 0.00 2.82 2.71 0.00 0.00 6.70 7.21 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 95 T 8.25 4.74 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 1.25 0.00 0.00 96 L 9.40 3.64 0.00 1.48 1.82 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.60 4.02 0.00 2.23 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 98 H 7.63 4.35 0.00 3.05 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.80 4.30 0.00 2.52 2.55 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 0.00 100 K 7.62 3.74 0.00 1.84 1.76 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.50 7.81 101 V 7.16 3.71 2.24 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 -0.05 0.00 0.00 1.24 0.00 0.00 102 P 0.00 4.55 0.00 2.23 2.16 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 103 D 8.42 4.41 0.00 2.84 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 0.00 104 G 9.36 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 0.00 105 A 7.88 4.43 1.59 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 0.00 0.00 106 T 8.72 4.81 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 1.13 0.00 0.00 107 V 8.33 4.25 1.62 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 -0.98 0.00 0.00 0.68 0.00 0.00 108 A 9.20 5.83 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 0.00 109 L 8.41 5.24 0.00 1.63 1.70 0.94 0.59 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 0.00 110 V 8.85 4.73 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 0.87 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.44 0.00 2.08 2.11 0.00 3.92 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 1.99 1.97 0.00 112 C 7.87 4.43 0.00 3.20 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 0.00 113 L 9.08 4.51 0.00 1.56 1.69 0.93 0.75 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 0.00 114 T 7.55 4.67 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 0.00 115 K 7.74 4.19 0.00 1.88 2.02 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 116 H 7.67 4.48 0.00 3.28 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.74 4.59 2.04 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 0.90 0.00 0.00 0.96 0.00 0.00 118 L 8.43 4.06 0.00 1.70 1.65 0.86 0.43 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 0.00 119 R 8.20 4.62 0.00 1.89 1.91 0.00 3.02 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 120 E 8.52 4.20 0.00 2.07 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 2.25 2.34 0.00 121 N 8.27 4.58 0.00 2.65 2.68 0.00 0.00 7.25 7.07 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 0.00 122 Q 8.76 4.18 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00