NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3361 8.1744 117.3752 63.7629 69.9649 172.8165 3 N 4.7965 8.2116 121.2033 52.3150 42.3683 171.7609 4 K 4.5514 7.9540 119.4148 55.4046 34.4156 175.9435 5 Q 3.7773 8.7733 122.9698 57.6928 28.3758 177.1320 6 V 4.0891 8.3523 122.9156 61.4162 32.5417 174.6257 7 E 4.7106 8.5275 126.0975 54.7600 32.0435 176.3490 8 I 4.2609 7.8570 122.9347 59.2594 38.9652 175.0199 9 S 4.2879 8.6827 120.7408 58.2471 63.1225 175.7459 10 M 4.2843 8.9295 120.6552 58.9424 31.7643 177.9618 11 A 4.0463 7.6504 119.6658 53.7866 19.1701 179.0014 12 E 3.7277 8.3144 116.2334 58.6611 29.4539 178.8870 13 W 4.1519 7.7105 118.9672 60.0459 29.2177 178.1073 14 D 4.6607 7.9494 118.4272 57.1356 40.1156 179.1287 15 V 3.6124 7.9212 119.0105 66.2048 31.6468 177.8955 16 M 3.4437 7.7189 117.8379 58.4385 31.7169 178.2803 17 N 4.9427 8.9248 116.6991 56.6592 38.6435 177.5831 18 I 3.8558 7.4272 120.1421 64.3328 37.1137 178.4294 19 I 3.7014 7.7672 120.8191 64.3158 36.6960 178.6180 20 W 4.4534 8.5116 118.8939 59.8283 28.9161 178.0230 21 D 4.6916 8.1871 118.2477 56.1596 40.3846 177.8982 22 K 4.4707 8.0704 116.2792 55.0066 32.5541 177.4169 23 K 4.0574 7.9660 123.6880 57.7687 31.5761 175.7963 24 S 4.9311 7.7861 111.0057 57.0209 64.7791 173.1118 25 V 5.2205 9.4451 120.0946 59.9899 36.5944 174.3338 26 S 4.8868 10.3022 117.8347 56.1698 64.9081 174.8863 27 A 3.8328 8.8835 124.4582 55.7607 17.9965 179.4853 28 N 4.1795 7.4729 113.0190 56.9805 38.7984 176.7264 29 E 3.9227 8.1720 119.6911 59.5415 29.6072 179.0607 30 I 3.6485 7.7746 119.1828 64.6980 37.2179 178.3531 31 V 3.4912 8.0728 119.0408 65.9562 31.3682 178.3110 32 V 3.5206 7.8993 117.9450 65.7723 31.1863 177.3253 33 E 3.9312 8.1590 118.2478 59.7802 29.5007 178.8491 34 I 3.3270 7.8308 119.4169 64.1097 36.9680 178.4525 35 Q 4.3059 7.6162 119.6493 57.6706 28.2357 178.2318 36 K 4.2930 7.3313 116.0778 57.5245 31.9802 177.2916 37 Y 4.8498 7.2701 114.2974 57.1657 41.0317 174.2796 38 K 4.2102 6.9376 118.0139 56.5994 35.3443 174.5898 39 E 4.4872 8.7357 121.0184 55.9203 28.2020 176.3109 40 V 4.4830 7.6515 115.8511 58.3485 35.9893 176.6388 41 S 4.3606 8.3683 118.6839 57.7932 65.2648 174.6686 42 D 4.2953 8.6531 123.2916 57.6972 40.8600 178.9862 43 K 3.8802 7.9700 118.0681 59.8070 32.2660 178.9441 44 T 3.8335 7.9392 115.8964 67.0479 68.3772 176.5978 45 I 3.6785 7.5446 120.8333 64.4794 36.9945 178.7989 46 R 3.8299 7.9484 118.8446 59.1189 29.7465 179.2538 47 T 3.7920 7.9261 115.9971 66.4495 68.4259 176.5395 48 L 3.8793 7.6537 120.4262 57.8844 41.6246 179.3870 49 I 3.3696 7.6819 119.5997 64.7422 37.0547 178.3027 50 T 3.8903 8.3155 116.5661 67.0020 68.3737 176.7226 51 R 3.8970 8.5678 119.9876 59.2229 30.0732 179.1716 52 L 3.8565 8.2376 119.0807 57.9795 41.6881 178.7875 53 Y 4.3551 8.3122 119.8324 60.9187 38.3932 178.4449 54 K 3.8043 7.8563 118.3209 58.5690 32.3112 178.5932 55 K 4.1649 7.7257 116.2883 55.8419 32.2355 176.7166 56 E 3.8771 7.5247 117.2243 57.6177 27.3640 175.2787 57 I 4.2796 7.7383 120.0449 62.5245 38.1516 175.6448 58 I 5.1996 7.5805 114.0143 59.3265 41.0176 173.9137 59 K 5.1315 9.2766 122.3617 54.9724 36.5691 174.8390 60 R 4.8599 8.4610 116.2923 55.3005 32.5193 173.5021 61 Y 5.0053 7.5297 115.9563 55.5515 41.7195 173.7616 62 K 4.5928 8.8471 121.5158 55.3898 33.1175 174.5284 63 S 4.6242 8.4871 119.3990 59.1641 64.9270 175.6862 64 E 3.8764 8.1260 123.2737 57.7978 28.4017 176.8621 65 N 4.8320 9.0002 120.4072 53.5563 41.1894 173.1199 66 I 4.0815 7.3030 117.8007 60.9778 38.6034 174.0605 67 Y 4.8385 7.9810 120.8427 57.1240 39.7435 174.3447 68 F 4.6485 8.2916 121.5261 55.9035 42.2814 174.1598 69 Y 4.7928 11.0001 120.4510 56.6744 41.1155 174.8763 70 S 5.0858 8.7441 115.8704 56.7939 67.9197 173.7783 71 S 4.3604 8.8527 117.7731 58.3438 62.9270 173.1914 72 N 5.1759 8.8436 124.8071 52.9992 39.5824 173.6586 73 I 4.6766 8.1360 115.3457 57.6234 41.5943 175.0851 74 K 4.1985 8.7032 126.2360 56.0247 32.7887 177.2751 75 E 3.1061 8.6653 125.4780 59.4449 29.3567 178.2825 76 D 4.2772 7.9210 118.0636 57.6851 40.7871 178.8433 77 D 4.3822 7.8280 118.7205 57.2129 41.0772 178.3957 78 I 3.9674 7.8658 119.0796 63.7665 38.0386 178.1363 79 K 4.0696 8.3493 119.6973 59.5531 31.8318 178.9509 80 M 4.0302 7.8748 118.2623 58.5816 32.1028 178.1998 81 K 4.0042 8.1853 119.7983 59.6828 32.2397 179.0444 82 T 3.9700 8.0132 115.8755 66.5966 68.4682 176.4530 83 A 4.0991 8.4729 123.0552 55.2993 18.3830 179.8072 84 K 4.0083 8.3669 116.9375 59.8693 32.1165 179.5875 85 T 3.9037 7.8352 115.6726 66.6154 68.4364 176.2596 86 F 4.1573 8.6483 122.6631 61.4210 39.5328 176.7951 87 L 3.8376 8.7154 120.1583 58.2154 41.3198 178.7648 88 N 4.4516 8.6669 116.7672 56.2407 38.2734 177.6528 89 K 3.9449 7.7481 118.6808 59.0903 32.3343 178.8088 90 L 4.0432 7.7760 116.6010 55.3288 41.6452 177.5501 91 Y 4.6261 8.0006 115.7870 57.4235 40.4642 175.1929 92 G 4.1598 8.2229 106.5930 48.8179 0.0000 175.3982 93 G 3.8996 7.9138 101.6590 44.8232 0.0000 173.8707 94 D 4.5337 7.9475 116.3900 52.0532 43.9984 174.2428 95 M 3.9598 8.6672 127.9358 58.3752 31.8815 178.6108 96 K 3.9043 8.2415 118.3922 59.7262 32.2143 179.1259 97 S 3.6891 8.3188 112.6194 61.2718 62.0462 175.6462 98 L 3.1278 7.4527 122.7824 56.8799 41.9163 178.8861 99 V 3.7555 8.1965 119.6383 64.3102 31.4898 178.2061 100 L 4.0226 8.7909 122.2069 57.8838 42.0045 178.3271 101 N 4.4216 8.0360 117.2211 56.3714 38.8025 176.9282 102 F 3.5275 8.0670 119.0400 60.1991 39.0294 177.0152 103 A 4.0112 8.1605 120.1620 56.1514 18.0042 178.8876 104 K 3.6966 8.0118 114.3065 60.8256 32.2973 177.3584 105 N 4.2779 8.2173 117.3239 53.4450 39.8043 174.6169 106 E 3.8159 8.5262 119.4475 57.7943 27.1736 174.6282 107 E 4.6042 8.2380 113.8688 55.9524 30.3434 176.7339 108 L 4.8503 7.5282 118.8717 52.3737 45.5855 175.8564 109 N 4.6868 8.7701 122.0360 52.6206 41.2505 175.2160 110 N 4.4420 8.8925 124.1018 56.7657 38.6688 177.1127 111 K 3.8937 9.8154 121.6357 59.7315 32.3309 178.7621 112 E 4.2351 8.0059 119.6046 58.7863 29.4360 179.2251 113 I 3.6920 8.2199 120.5260 64.1942 37.0974 178.0861 114 E 3.9437 8.5302 120.6019 59.1508 29.1436 178.3725 115 E 3.9235 8.3753 118.9690 59.9807 29.4770 178.5645 116 L 3.9369 8.4176 120.6231 57.5346 41.8256 178.7329 117 R 3.8253 8.1709 120.1862 58.4532 30.3868 178.0721 118 D 4.3477 9.5892 117.5224 55.6545 40.9234 179.1342 119 I 3.5577 5.4200 117.9939 63.4026 39.4891 175.0206 120 L 3.9473 8.3289 122.0327 58.1363 41.6537 178.4413 121 N 4.3046 9.2761 118.1660 56.5420 38.6501 176.4169 122 D 4.3260 7.9043 118.3067 57.0669 41.3843 177.7366 123 I 3.9372 7.3092 119.5727 64.0807 37.2979 177.9237 124 S 4.3481 7.6600 113.0820 59.6627 62.2251 174.3259 125 K 4.0991 7.3447 121.7794 56.0387 31.9343 177.0440 126 K 4.1707 8.5690 122.5964 56.8683 32.7957 176.2569 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.17 4.34 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 3 N 8.21 4.80 0.00 2.68 2.67 0.00 0.00 6.82 5.80 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 4 K 7.95 4.55 0.00 1.73 1.54 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.38 7.81 5 Q 8.77 3.78 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 6 V 8.35 4.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.95 0.00 0.00 7 E 8.53 4.71 0.00 1.92 1.77 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 2.20 2.22 0.00 8 I 7.86 4.26 0.88 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.16 -0.46 0.00 0.00 9 S 8.68 4.29 0.00 4.02 3.99 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 10 M 8.93 4.28 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 11 A 7.65 4.05 1.36 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 0.00 0.00 0.00 12 E 8.31 3.73 0.00 2.11 1.70 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 2.16 2.24 0.00 13 W 7.71 4.15 0.00 3.34 3.34 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 14 D 7.95 4.66 0.00 2.70 2.92 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 0.00 0.00 0.00 0.00 15 V 7.92 3.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 16 M 7.72 3.44 0.00 0.51 1.57 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 17 N 8.92 4.94 0.00 2.96 3.09 0.00 0.00 7.08 7.29 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 18 I 7.43 3.86 2.05 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 1.61 0.68 0.94 0.00 0.00 19 I 7.77 3.70 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.83 0.00 0.00 20 W 8.51 4.45 0.00 3.46 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 21 D 8.19 4.69 0.00 2.95 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 22 K 8.07 4.47 0.00 1.78 1.88 0.00 2.03 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 K 7.97 4.06 0.00 1.91 1.99 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 24 S 7.79 4.93 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.45 5.22 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 0.90 0.00 0.00 1.03 0.00 0.00 26 S 10.30 4.89 0.00 3.27 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 27 A 8.88 3.83 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 28 N 7.47 4.18 0.00 2.67 2.77 0.00 0.00 7.29 7.53 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 29 E 8.17 3.92 0.00 2.23 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 2.35 2.31 0.00 30 I 7.77 3.65 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.82 0.00 0.00 31 V 8.07 3.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 32 V 7.90 3.52 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 0.98 0.00 0.00 33 E 8.16 3.93 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 34 I 7.83 3.33 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.52 0.00 0.00 35 Q 7.62 4.31 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 36 K 7.33 4.29 0.00 2.03 1.95 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 37 Y 7.27 4.85 0.00 2.91 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 38 K 6.94 4.21 0.00 1.95 2.05 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.79 1.08 7.81 39 E 8.74 4.49 0.00 1.97 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 0.00 2.31 2.27 0.00 40 V 7.65 4.48 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 0.73 0.00 0.00 0.85 0.00 0.00 41 S 8.37 4.36 0.00 4.02 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 42 D 8.65 4.30 0.00 2.77 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 0.00 43 K 7.97 3.88 0.00 1.78 1.82 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.46 7.81 44 T 7.94 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 45 I 7.54 3.68 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.81 0.00 0.00 46 R 7.95 3.83 0.00 1.98 1.91 0.00 3.17 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 47 T 7.93 3.79 4.32 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 1.18 0.00 0.00 48 L 7.65 3.88 0.00 1.82 1.62 0.91 0.59 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 49 I 7.68 3.37 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.09 0.00 0.00 50 T 8.32 3.89 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 1.23 0.00 0.00 51 R 8.57 3.90 0.00 1.96 1.91 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 52 L 8.24 3.86 0.00 1.61 1.56 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.31 4.36 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.86 3.80 0.00 1.84 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.53 7.81 55 K 7.73 4.16 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 56 E 7.52 3.88 0.00 2.11 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 2.13 2.31 0.00 57 I 7.74 4.28 1.76 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 1.18 0.43 0.75 0.00 0.00 58 I 7.58 5.20 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.79 0.00 0.00 59 K 9.28 5.13 0.00 1.70 1.82 0.00 1.81 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.57 7.81 60 R 8.46 4.86 0.00 0.97 0.66 0.00 2.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.95 0.00 61 Y 7.53 5.01 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 62 K 8.85 4.59 0.00 1.47 1.68 0.00 1.63 0.00 0.00 0.70 0.00 0.00 2.55 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.27 7.81 63 S 8.49 4.62 0.00 3.99 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 64 E 8.13 3.88 0.00 2.00 1.74 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 2.37 2.32 0.00 65 N 9.00 4.83 0.00 2.58 2.66 0.00 0.00 6.89 7.94 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 66 I 7.30 4.08 1.79 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 1.33 0.36 0.61 0.00 0.00 67 Y 7.98 4.84 0.00 2.70 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 0.00 0.00 0.00 68 F 8.29 4.65 0.00 2.28 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 69 Y 11.00 4.79 0.00 2.83 2.75 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 70 S 8.74 5.09 0.00 3.81 3.77 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 71 S 8.85 4.36 0.00 3.80 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 72 N 8.84 5.18 0.00 2.79 2.90 0.00 0.00 6.88 7.64 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 73 I 8.14 4.68 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 1.19 0.00 0.00 74 K 8.70 4.20 0.00 1.87 1.74 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.53 7.81 75 E 8.67 3.11 0.00 1.16 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 1.59 1.47 0.00 76 D 7.92 4.28 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 77 D 7.83 4.38 0.00 2.94 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 78 I 7.87 3.97 2.05 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 1.63 1.57 1.37 0.00 0.00 79 K 8.35 4.07 0.00 1.77 1.72 0.00 1.49 0.00 0.00 1.43 0.00 0.00 3.15 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.54 1.60 7.81 80 M 7.87 4.03 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 81 K 8.19 4.00 0.00 2.14 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 82 T 8.01 3.97 4.44 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 1.23 0.00 0.00 83 A 8.47 4.10 1.38 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 84 K 8.37 4.01 0.00 1.87 1.92 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.73 7.81 85 T 7.84 3.90 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 86 F 8.65 4.16 0.00 3.17 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 87 L 8.72 3.84 0.00 2.05 1.70 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.67 4.45 0.00 2.93 2.84 0.00 0.00 7.02 7.53 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 89 K 7.75 3.94 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.76 7.81 90 L 7.78 4.04 0.00 0.74 0.29 0.76 0.79 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 91 Y 8.00 4.63 0.00 2.89 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 92 G 8.22 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 93 G 7.91 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 94 D 7.95 4.53 0.00 2.50 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 95 M 8.67 3.96 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 96 K 8.24 3.90 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 97 S 8.32 3.69 0.00 3.92 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 98 L 7.45 3.13 0.00 0.36 1.35 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.20 3.76 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 0.73 0.00 0.00 0.88 0.00 0.00 100 L 8.79 4.02 0.00 1.83 1.71 0.94 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.04 4.42 0.00 2.93 3.06 0.00 0.00 7.18 7.56 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 0.00 102 F 8.07 3.53 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.16 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.01 3.70 0.00 1.81 2.07 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 105 N 8.22 4.28 0.00 2.72 2.77 0.00 0.00 7.22 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 0.00 106 E 8.53 3.82 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 2.53 0.00 107 E 8.24 4.60 0.00 1.95 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 0.00 2.08 1.98 0.00 108 L 7.53 4.85 0.00 1.64 1.56 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.77 4.69 0.00 2.72 2.67 0.00 0.00 6.36 7.95 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 0.00 110 N 8.89 4.44 0.00 2.87 2.84 0.00 0.00 6.74 6.75 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 0.00 111 K 9.82 3.89 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 112 E 8.01 4.24 0.00 2.14 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 2.38 2.25 0.00 113 I 8.22 3.69 2.01 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 1.42 1.09 0.91 0.00 0.00 114 E 8.53 3.94 0.00 2.18 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 0.00 2.29 2.38 0.00 115 E 8.38 3.92 0.00 2.13 1.97 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 2.32 2.59 0.00 116 L 8.42 3.94 0.00 1.85 1.65 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.17 3.83 0.00 1.97 2.12 0.00 3.31 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 118 D 9.59 4.35 0.00 2.87 2.58 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 0.00 119 I 5.42 3.56 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.98 0.00 0.00 120 L 8.33 3.95 0.00 1.77 1.86 0.89 0.40 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 0.00 121 N 9.28 4.30 0.00 2.64 3.05 0.00 0.00 6.85 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.90 4.33 0.00 2.67 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 0.00 123 I 7.31 3.94 1.97 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 1.38 0.91 0.89 0.00 0.00 124 S 7.66 4.35 0.00 3.82 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.34 4.10 0.00 1.96 1.75 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.62 7.81 126 K 8.57 4.17 0.00 1.84 1.77 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81