NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6220 8.1933 115.3681 57.6947 64.5959 174.5174 2 L 4.0017 8.4646 121.7654 57.1893 41.2069 178.5659 3 W 4.3716 8.6650 120.0701 60.0630 29.4841 178.0649 4 Q 4.1116 7.9961 118.1042 58.6837 27.9583 178.3135 5 F 4.6579 8.7552 122.2846 61.5528 39.3125 177.4989 6 G 3.5767 8.4612 105.2185 47.6742 0.0000 175.6590 7 K 4.0614 8.3750 121.0802 59.5302 32.0426 178.9603 8 M 4.2314 8.6331 118.6605 58.8184 32.2075 178.2469 9 I 3.6828 8.0487 120.1384 64.3497 37.2871 177.6301 10 N 4.4652 8.4164 118.0497 57.1339 38.5130 176.1990 11 Y 4.0583 7.8876 119.1158 60.7467 39.0367 177.6577 12 V 3.7120 8.0922 118.0686 65.4721 31.8827 177.0504 13 M 4.3934 8.3677 116.2321 53.7327 33.1124 176.1252 14 G 3.9643 7.9672 105.7813 43.9720 0.0000 174.1063 15 E 4.0257 8.8056 119.8758 59.5013 29.6194 178.3802 16 S 4.4235 8.0542 112.5686 59.4603 63.8572 175.9839 17 G 3.8979 8.4028 108.9243 48.1073 0.0000 175.8023 18 V 3.6298 7.8231 120.3732 65.6177 31.3759 177.7173 19 L 4.2661 7.9356 118.5647 58.2111 42.1814 178.2183 20 Q 4.0341 8.2202 118.8173 58.3805 29.2625 176.6572 21 Y 4.3451 8.1249 116.3244 57.8165 39.3738 176.8428 22 L 4.5291 7.6806 117.7776 54.4994 41.6850 176.9379 23 S 4.3980 7.3418 112.1128 56.3343 63.1825 171.4682 24 Y 4.9173 8.0422 126.4831 56.3349 42.5080 176.1157 25 G 3.5457 7.9839 114.6973 46.7806 0.0000 173.1215 26 C 4.5669 9.4954 115.6905 57.7688 41.0004 174.7018 27 Y 4.0984 8.2984 114.9698 57.8832 39.9932 175.3448 28 C 4.6029 8.3654 118.4981 58.3129 41.2223 170.9141 29 G 4.1430 9.5145 110.7247 44.0475 0.0000 172.5263 30 L 5.3271 7.6631 120.1258 54.0262 45.7818 176.0142 31 G 3.9277 8.9041 108.1582 46.4619 0.0000 174.6575 32 G 3.5288 7.5468 106.2000 44.7597 0.0000 173.0439 33 Q 4.5326 7.4017 115.1732 55.8621 32.1234 176.0925 34 G 4.0315 9.0366 105.9793 45.5847 0.0000 172.1062 35 Q 4.8500 8.7518 120.9553 53.1953 30.5211 173.9609 36 P 4.6931 0.0000 0.0000 63.1914 31.9172 176.6774 37 T 3.8316 8.5974 112.7027 64.0983 69.4195 173.6369 38 D 4.3870 7.1367 118.7703 51.3965 41.9297 175.5576 39 A 4.0189 8.5337 119.8397 55.7590 17.7854 179.8327 40 T 3.9651 8.0326 113.8177 66.9986 68.5749 176.1436 41 D 4.5907 8.7178 119.8966 57.4641 41.1597 178.2770 42 R 4.0350 8.2590 119.2542 59.2799 29.9745 177.7041 43 C 4.2462 8.2569 116.7375 60.5077 40.6843 175.5124 44 C 4.3587 8.2158 117.2124 59.4535 38.1520 175.7233 45 F 3.7947 8.7239 123.0428 61.4058 38.8282 177.3587 46 V 3.4563 8.1068 117.7576 66.1185 31.2062 177.2206 47 H 3.8654 8.3043 117.9797 59.3517 29.6761 176.7940 48 D 4.1581 8.1376 120.5827 57.6924 40.4692 178.2686 49 C 4.1213 7.4926 115.4274 59.8648 37.7842 175.0474 50 C 4.3053 8.3278 120.4324 60.0879 43.6609 175.3467 51 Y 4.1144 8.2500 118.5584 60.9942 37.1617 178.8581 52 G 3.7101 8.0203 105.7239 47.0314 0.0000 174.8741 53 K 4.4226 7.6138 118.3458 55.5484 32.5049 176.6521 54 V 3.9047 7.2257 120.6496 62.0638 31.6728 175.1176 55 T 4.5016 8.3433 124.0444 62.2006 70.7593 173.5346 56 G 3.9512 8.7213 114.6995 45.8370 0.0000 171.8507 57 C 4.7839 7.6938 112.4424 54.0338 45.3336 172.4850 58 N 4.7653 9.5737 118.9133 50.9721 38.6841 173.4451 59 P 3.9199 0.0000 0.0000 65.2793 31.8939 178.2070 60 K 4.1829 8.2538 118.8304 59.1005 32.2476 178.8123 61 I 4.0930 7.8030 117.0212 62.9752 38.2446 176.3481 62 D 4.5654 8.0393 119.1307 54.0869 41.2706 175.8902 63 S 4.5733 8.4769 119.0381 57.6129 64.0000 173.6312 64 Y 4.8499 7.8148 123.9535 55.6290 40.5340 174.0925 65 T 4.9697 8.6242 115.7552 62.3156 70.9494 173.3126 66 Y 5.5467 8.7231 123.4860 55.7154 41.6301 174.1191 67 S 4.6110 9.0610 114.2738 56.4136 66.7735 173.3256 68 K 4.4905 8.2907 120.0219 54.5751 34.5263 175.5446 69 K 4.5945 8.6430 125.4918 55.7889 35.5825 175.7470 70 N 4.5386 10.1560 120.7832 54.3861 36.1370 175.2880 71 G 3.8138 9.3522 107.0967 45.0133 0.0000 172.7837 72 D 5.0855 8.1312 117.4524 51.6378 42.7771 173.8569 73 V 4.9045 8.2949 118.4932 61.2159 33.8464 174.8040 74 V 4.5025 8.4451 126.0338 61.3330 34.6309 173.5673 75 C 4.9128 8.9858 125.4507 56.5456 40.9393 173.4398 76 G 3.8762 8.4494 112.0576 46.7056 0.0000 172.4509 77 G 4.2622 9.0990 109.9703 45.9334 0.0000 172.7269 78 D 4.7021 8.5375 117.6798 53.8092 41.4797 176.5484 79 N 4.7374 7.8155 119.3392 51.4774 39.7664 173.3783 80 P 4.2614 0.0000 0.0000 65.8683 31.5507 178.9131 81 C 4.2229 8.3363 118.4970 59.5385 43.3034 175.7068 82 K 3.9589 8.1723 119.7013 59.2140 31.6345 179.1528 83 K 3.8711 8.2463 120.1438 59.3139 32.2169 178.4520 84 Q 3.8596 8.2071 120.0489 59.3072 28.8744 178.7168 85 I 3.5202 7.5222 120.1858 64.5014 37.1802 177.5428 86 C 2.7138 7.5953 119.1591 59.2450 41.9253 175.5087 87 E 3.8143 8.1696 120.3330 59.2953 28.9549 178.5585 88 C 4.1546 7.8829 116.2359 60.1130 40.3821 176.0316 89 D 3.7240 7.6630 119.7051 57.1017 40.4527 178.5768 90 R 3.8293 8.1195 119.5601 59.5117 30.0348 178.4402 91 V 3.4538 7.9729 117.9258 65.9799 31.4971 177.6898 92 A 3.6429 7.7771 120.4956 55.3143 18.2122 179.5566 93 T 3.5655 8.0024 108.7144 65.2484 68.6336 176.6379 94 T 3.8818 7.8060 112.4879 64.4562 68.5812 175.9122 95 C 4.2425 7.9306 120.7495 59.3195 39.0230 175.2009 96 F 4.5461 7.7543 119.4017 60.7189 38.3127 177.4598 97 R 3.8993 8.0748 118.2244 59.6958 29.6283 178.0442 98 D 4.4114 8.1253 116.3720 56.2738 41.4099 176.3403 99 N 4.9653 7.7362 115.2000 52.6228 39.3935 176.1499 100 K 3.9896 7.9641 122.9337 59.4133 32.2428 178.0230 101 D 4.6473 8.1433 116.1919 54.6967 39.7609 176.5834 102 T 4.5159 7.8971 109.1482 61.2119 69.2401 173.6959 103 Y 3.9918 7.7390 123.7430 58.2852 39.1957 174.9678 104 D 4.7827 8.6944 125.8990 52.1590 43.9062 176.0270 105 I 3.8009 8.4670 126.7222 63.0607 38.4305 177.1533 106 K 3.6522 8.1673 121.3996 59.6609 31.9759 176.6175 107 Y 3.9010 7.3912 114.0312 57.1918 38.2343 175.0956 108 W 4.7567 7.7849 131.4218 58.6222 31.3291 175.8370 109 F 3.4685 8.4761 126.1742 57.1900 36.5222 175.6472 110 Y 4.3230 7.8776 120.0072 57.1408 39.8778 175.4730 111 G 3.6542 8.3260 115.5097 45.1571 0.0000 173.7800 112 A 3.9321 8.8041 123.4340 55.1484 18.0015 180.2458 113 K 3.9436 7.9188 114.6706 59.0519 32.6854 177.7129 114 N 4.6499 7.3927 116.1636 53.2433 38.7236 174.3363 115 C 5.3374 7.7861 116.9765 55.9455 41.6724 175.4946 116 Q 4.2471 7.9418 119.9199 54.5382 27.0447 173.7012 117 E 4.7428 7.4125 118.0880 53.6107 33.6908 175.4213 118 K 3.9476 8.5521 119.7092 57.0851 32.5057 175.9624 119 S 4.7507 8.4841 121.8703 57.9498 63.8780 173.5964 120 E 4.2335 8.6575 125.9027 55.6782 29.8092 174.6760 121 P 4.7519 0.0000 0.0000 62.0679 33.0371 176.8791 122 C 4.4554 8.6811 117.5492 57.5275 41.1253 173.7504 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 S 8.19 4.62 0.00 4.31 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 0.00 2 L 8.46 4.00 0.00 1.45 1.69 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.67 4.37 0.00 3.39 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.00 4.11 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 5 F 8.76 4.66 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.46 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 0.00 0.00 0.00 7 K 8.38 4.06 0.00 2.17 2.13 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.87 1.78 7.81 8 M 8.63 4.23 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 9 I 8.05 3.68 1.90 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.29 0.89 0.00 0.00 10 N 8.42 4.47 0.00 3.15 3.01 0.00 0.00 6.91 8.22 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 11 Y 7.89 4.06 0.00 3.21 3.28 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 12 V 8.09 3.71 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 0.90 0.00 0.00 1.12 0.00 0.00 13 M 8.37 4.39 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.60 0.00 14 G 7.97 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 0.00 0.00 0.00 15 E 8.81 4.03 0.00 1.94 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 2.33 2.34 0.00 16 S 8.05 4.42 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 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 0.00 0.00 0.00 18 V 7.82 3.63 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 1.11 0.00 0.00 1.00 0.00 0.00 19 L 7.94 4.27 0.00 1.86 1.98 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.22 4.03 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.53 0.00 21 Y 8.12 4.35 0.00 2.88 2.29 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 22 L 7.68 4.53 0.00 1.72 1.68 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.34 4.40 0.00 2.99 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.04 4.92 0.00 3.02 2.64 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 25 G 7.98 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 26 C 9.50 4.57 0.00 3.10 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 27 Y 8.30 4.10 0.00 3.41 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.37 4.60 0.00 3.41 3.43 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 29 G 9.51 4.14 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 0.00 30 L 7.66 5.33 0.00 1.70 1.54 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.90 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 32 G 7.55 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 0.00 0.00 0.00 33 Q 7.40 4.53 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.11 2.53 0.00 34 G 9.04 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 0.00 0.00 0.00 0.00 35 Q 8.75 4.85 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 36 P 0.00 4.69 0.00 1.86 1.93 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 37 T 8.60 3.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 38 D 7.14 4.39 0.00 2.81 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 39 A 8.53 4.02 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 40 T 8.03 3.97 4.34 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 0.93 0.00 0.00 41 D 8.72 4.59 0.00 3.01 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 42 R 8.26 4.04 0.00 1.89 2.09 0.00 3.14 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 43 C 8.26 4.25 0.00 3.54 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 44 C 8.22 4.36 0.00 3.44 3.49 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 45 F 8.72 3.79 0.00 2.64 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 46 V 8.11 3.46 2.22 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 0.97 0.00 0.00 1.07 0.00 0.00 47 H 8.30 3.87 0.00 3.22 3.32 0.00 5.65 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 48 D 8.14 4.16 0.00 2.97 2.54 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 49 C 7.49 4.12 0.00 2.84 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 50 C 8.33 4.31 0.00 3.02 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 51 Y 8.25 4.11 0.00 3.02 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 52 G 8.02 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 0.00 0.00 0.00 53 K 7.61 4.42 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.58 7.81 54 V 7.23 3.90 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 0.67 0.00 0.00 0.82 0.00 0.00 55 T 8.34 4.50 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 1.20 0.00 0.00 56 G 8.72 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 0.00 0.00 0.00 57 C 7.69 4.78 0.00 3.21 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 58 N 9.57 4.77 0.00 2.66 2.97 0.00 0.00 7.40 8.30 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 59 P 0.00 3.92 0.00 0.49 1.39 0.00 3.69 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 1.68 1.85 0.00 60 K 8.25 4.18 0.00 2.03 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.48 7.81 61 I 7.80 4.09 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.97 0.00 0.00 62 D 8.04 4.57 0.00 2.74 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 63 S 8.48 4.57 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.81 4.85 0.00 3.01 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 65 T 8.62 4.97 4.35 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 1.27 0.00 0.00 66 Y 8.72 5.55 0.00 3.08 2.93 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 67 S 9.06 4.61 0.00 3.82 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 68 K 8.29 4.49 0.00 0.91 0.74 0.00 1.16 0.00 0.00 1.80 0.00 0.00 2.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.08 7.81 69 K 8.64 4.59 0.00 1.70 1.59 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 70 N 10.16 4.54 0.00 2.88 2.85 0.00 0.00 7.21 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 71 G 9.35 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 72 D 8.13 5.09 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.29 4.90 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 0.93 0.00 0.00 1.17 0.00 0.00 74 V 8.45 4.50 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 0.94 0.00 0.00 0.96 0.00 0.00 75 C 8.99 4.91 0.00 2.96 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 76 G 8.45 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 77 G 9.10 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 0.00 0.00 0.00 78 D 8.54 4.70 0.00 2.66 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 79 N 7.82 4.74 0.00 2.75 2.73 0.00 0.00 6.87 7.71 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 80 P 0.00 4.26 0.00 2.28 2.28 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 81 C 8.34 4.22 0.00 3.02 3.21 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 82 K 8.17 3.96 0.00 2.03 1.96 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.52 7.81 83 K 8.25 3.87 0.00 1.81 1.77 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.38 7.81 84 Q 8.21 3.86 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 85 I 7.52 3.52 2.09 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 1.19 0.93 0.92 0.00 0.00 86 C 7.60 2.71 0.00 1.82 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 87 E 8.17 3.81 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 2.34 2.42 0.00 88 C 7.88 4.15 0.00 3.21 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 7.66 3.72 0.00 2.69 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 90 R 8.12 3.83 0.00 1.85 1.98 0.00 3.10 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 91 V 7.97 3.45 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 0.88 0.00 0.00 0.89 0.00 0.00 92 A 7.78 3.64 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 93 T 8.00 3.57 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 1.44 0.00 0.00 94 T 7.81 3.88 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 1.23 0.00 0.00 95 C 7.93 4.24 0.00 2.97 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 96 F 7.75 4.55 0.00 2.91 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 97 R 8.07 3.90 0.00 1.92 2.10 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 98 D 8.13 4.41 0.00 2.85 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 99 N 7.74 4.97 0.00 2.92 2.86 0.00 0.00 6.47 7.85 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 0.00 100 K 7.96 3.99 0.00 1.97 1.85 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 D 8.14 4.65 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.52 4.31 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 1.26 0.00 0.00 103 Y 7.74 3.99 0.00 2.91 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 0.00 104 D 8.69 4.78 0.00 2.70 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.47 3.80 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.94 0.00 0.00 106 K 8.17 3.65 0.00 1.49 1.11 0.00 1.57 0.00 0.00 0.89 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.03 1.25 7.81 107 Y 7.39 3.90 0.00 1.43 1.68 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 0.00 108 W 7.78 4.76 0.00 3.38 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 0.00 109 F 8.48 3.47 0.00 2.69 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 0.00 110 Y 7.88 4.32 0.00 2.85 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 0.00 111 G 8.33 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.80 3.93 1.29 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 0.00 0.00 113 K 7.92 3.94 0.00 1.85 1.90 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.40 7.81 114 N 7.39 4.65 0.00 2.02 2.08 0.00 0.00 6.74 7.59 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 0.00 115 C 7.79 5.34 0.00 2.97 3.18 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 0.00 116 Q 7.94 4.25 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 117 E 7.41 4.74 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 118 K 8.55 3.95 0.00 1.75 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 119 S 8.48 4.75 0.00 3.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.66 4.23 0.00 1.85 1.51 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 2.27 2.16 0.00 121 P 0.00 4.75 0.00 2.16 2.08 0.00 3.87 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 2.02 2.03 0.00 122 C 8.68 4.46 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00