NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9758 8.3549 109.7407 46.0124 0.0000 173.5832 5 S 4.6025 8.5042 114.1369 58.2552 63.5963 174.1940 6 R 3.8704 8.3528 121.0226 59.1220 30.8216 177.7606 7 R 3.6141 7.9249 116.8894 58.9869 29.9587 176.4039 8 Y 4.4392 7.5974 112.2540 57.5030 38.1187 174.9819 9 D 4.5507 7.6018 120.2797 53.7938 40.7991 176.5191 10 S 4.1562 8.7119 123.4565 59.4399 63.8044 174.3885 11 R 3.8040 8.3653 119.8071 57.3117 27.3222 177.3764 12 T 4.0901 7.8127 105.7096 63.6031 69.8083 174.8196 13 T 4.6066 7.4732 112.2044 60.9752 68.5085 172.4775 14 I 4.5570 7.2297 112.8465 59.6330 41.4371 174.9948 15 F 4.8447 8.4180 119.3373 56.5134 40.1856 176.1964 16 S 4.5532 8.6415 118.3319 55.8057 64.0462 173.6099 17 P 4.5305 0.0000 0.0000 65.1899 31.0682 177.2665 18 E 4.3048 8.1295 116.0735 55.6835 29.4527 175.9407 19 G 3.5692 8.2882 106.9661 46.9556 0.0000 174.1493 20 R 4.6245 7.8565 116.8786 53.8439 33.3649 175.7565 21 L 4.6929 7.9130 120.2808 53.9949 41.5447 177.3171 22 Y 3.5479 7.4454 119.4473 60.7691 38.0675 178.1600 23 Q 4.0734 8.1249 118.0591 59.3891 29.0533 179.6833 24 V 3.5541 7.6970 118.1687 66.1240 31.5962 177.3268 25 E 3.9235 8.0448 118.0775 60.0286 29.3779 179.0740 26 Y 4.4669 8.1801 116.4487 61.2833 37.9278 178.7955 27 A 4.1127 8.7609 122.0227 55.0974 18.4588 179.7301 28 L 3.9540 8.1265 117.7861 57.8397 41.4561 179.1790 29 E 3.9713 8.0669 118.5533 59.1629 29.8103 178.7063 30 S 4.2950 8.1169 113.2131 61.5998 62.5123 176.1059 31 I 3.7287 7.8652 122.7702 64.3995 36.5748 178.3822 32 S 4.1679 7.9782 113.9991 60.8008 62.6787 174.6870 33 H 4.7029 7.7959 117.5063 55.3663 28.9604 174.7081 34 A 4.4110 7.9766 123.6222 50.7434 19.5198 177.7599 35 G 4.1029 8.4624 107.0438 46.3270 0.0000 173.3978 36 T 4.4639 8.5093 118.4110 63.1350 70.0761 173.5148 37 A 5.1683 8.4173 125.5670 50.3798 22.3081 175.3629 38 I 4.6174 9.3619 122.5745 59.2988 41.4048 174.8853 39 G 4.4628 8.7000 111.6442 44.5495 0.0000 171.8519 40 I 4.6421 8.7976 126.4216 59.5917 40.5370 174.2290 41 M 4.7887 8.7879 126.9139 54.0223 33.2821 175.3028 42 A 4.5541 8.3759 130.7512 50.6818 20.9153 176.7854 43 S 4.3202 8.6279 112.4533 60.7865 63.2430 174.8807 44 D 4.8727 8.6309 118.4899 51.0026 39.6760 175.8836 45 G 3.9968 6.9199 108.2176 46.5745 0.0000 171.4107 46 I 5.1716 7.7601 118.3911 59.4497 41.2573 175.4500 47 V 4.5304 9.0870 124.4645 61.0942 34.6827 174.2133 48 L 5.3488 8.5775 125.8936 52.9917 44.8810 175.7059 49 A 4.8341 8.9851 123.6969 50.5866 22.8651 174.7720 50 A 5.0379 8.4271 121.0887 50.5573 22.5981 174.8649 51 E 4.4930 9.1174 121.2157 54.3638 31.6137 175.6104 52 R 4.1628 8.5588 126.5748 55.7298 30.3301 176.1542 53 K 3.9532 8.7033 125.2785 56.7250 32.8688 173.5014 54 V 3.1621 8.6307 130.4906 62.9367 31.7906 171.4035 55 T 4.7361 8.1335 114.7653 60.3495 72.1602 172.1267 56 S 4.6709 8.0111 114.7079 56.8923 65.7412 174.7440 57 T 4.0494 8.4191 119.5108 66.4552 68.2894 176.3399 58 L 4.1235 7.7505 120.3678 56.5401 41.9868 177.3226 59 L 3.8198 7.1640 119.7427 55.0224 42.1495 176.0255 60 E 4.1175 8.6775 127.2659 55.9269 29.3916 175.6586 61 Q 4.2038 8.5659 128.6306 58.3113 29.7367 177.5610 62 D 4.4004 8.1335 116.8849 57.0689 40.9371 177.1080 63 T 4.2757 7.6838 113.0407 63.8268 69.2697 174.8594 63A S 4.3470 7.3641 115.8378 58.2271 63.1124 174.0262 64 T 4.0145 7.6773 116.9449 63.4931 70.1314 172.7910 65 E 4.8125 8.7011 122.8787 55.7210 30.8900 176.4339 66 K 4.7073 7.5868 116.0873 56.5662 37.9578 175.3460 67 L 5.1156 7.6642 119.4475 53.2523 43.1162 175.6959 68 Y 4.7312 8.8838 122.1734 55.8096 41.4183 175.1597 69 K 4.5073 8.7877 124.8051 55.6777 33.1928 175.9847 70 L 4.4120 8.6343 126.0543 56.1881 42.8799 175.3674 71 N 4.9626 7.7520 114.6397 52.7324 41.3692 172.6012 72 D 4.6706 8.7610 114.5176 55.6015 41.7876 177.1049 73 K 4.7660 7.9845 116.4443 55.7933 34.5258 175.4122 74 I 5.2057 7.6759 120.3942 59.7896 41.6773 173.9703 75 A 5.1944 8.8364 125.9931 50.7544 23.3498 175.1582 76 V 4.9735 8.9365 111.0129 59.6872 36.5971 174.5753 77 A 5.2273 8.8000 125.1652 50.4063 21.3689 175.8444 78 V 4.7586 8.8877 121.9052 61.2464 34.4992 175.4423 79 A 4.2889 8.6293 127.6152 52.4197 21.6386 174.3152 80 G 3.6609 8.5191 112.9190 45.2714 0.0000 173.0245 81 L 4.1698 8.6312 126.3734 54.5899 41.7372 177.5982 82 T 3.8820 8.8857 121.7141 66.7302 68.1921 176.0340 83 A 4.0099 8.0095 121.7473 55.4282 18.3147 179.1976 84 D 4.4193 8.1380 116.5001 57.4545 40.8879 178.4969 85 A 4.0682 8.2936 121.5988 55.4522 18.3325 179.5029 86 E 3.6763 8.1789 116.6997 59.5734 29.4165 179.4245 87 I 3.7249 7.4542 119.7001 64.7089 37.2498 178.4848 88 L 3.8759 7.7001 119.4853 57.6744 41.4771 179.4562 89 I 3.5031 8.2599 120.4768 64.3516 36.9882 178.0194 90 N 4.3100 8.5818 118.4683 56.8770 38.7847 177.1187 91 T 3.9410 7.7421 110.9882 64.3519 68.6263 176.5397 92 A 3.9299 7.7951 123.9321 55.2847 18.3653 179.6261 93 R 3.8609 7.9842 116.5678 59.4885 29.9899 179.4968 94 I 3.6983 7.7824 119.4470 64.7577 37.2582 177.5975 95 H 4.1697 8.4398 118.9578 59.4950 29.3715 176.8093 96 A 3.9277 8.3179 122.5193 55.4034 18.2520 179.7128 97 Q 3.9929 7.8337 116.3843 59.0704 28.7063 178.6024 98 N 4.3158 8.5855 117.9586 56.5468 38.5493 176.5373 99 Y 4.0742 8.1045 120.7984 60.7093 38.7153 178.0821 100 L 4.3032 7.7662 122.1970 57.6815 42.0771 178.5636 101 K 3.7392 8.2083 118.5154 60.0012 32.0857 178.5448 102 T 3.7664 7.9099 114.8434 66.5347 68.5658 175.9438 103 Y 4.3322 7.6040 115.5884 56.9031 38.5813 175.2163 104 N 4.3468 8.9574 117.8077 54.0788 38.0113 173.3488 105 E 4.8491 7.7911 113.0138 54.1933 33.8569 174.6820 106 D 4.5478 8.5932 121.7813 53.9411 41.5495 176.3483 107 I 2.7760 8.2533 123.7928 59.8707 38.6118 173.9092 108 P 4.0928 0.0000 0.0000 62.6690 32.0575 176.8731 109 V 3.4097 8.3824 122.8251 66.4812 31.2883 178.1307 110 E 3.7940 7.9702 118.0188 59.1765 29.3742 178.5502 111 I 3.6064 7.4774 119.8430 64.1760 37.2277 178.1826 112 L 3.8588 7.5274 120.6616 57.9619 42.0339 178.9292 113 V 2.8918 7.3873 118.2287 65.7293 31.3538 177.9542 114 R 3.8104 8.1658 118.8264 59.3100 29.9697 178.4318 115 R 3.8249 7.7170 118.2555 59.3628 29.9745 178.1788 116 L 3.9167 7.6974 119.6837 58.4274 42.1026 179.1927 117 S 4.2308 8.2438 114.8502 61.3874 62.7025 176.3858 118 D 4.4278 8.2037 122.0806 57.1463 40.2895 178.7024 119 I 3.8062 7.4977 119.5368 64.2794 37.2851 178.3365 120 K 4.2211 7.7966 119.3050 59.7161 31.9723 178.9536 121 Q 4.1094 8.3169 119.8997 59.2917 28.6641 178.9384 122 G 3.6651 8.1218 106.5362 48.2231 0.0000 175.1769 123 Y 3.9713 8.0480 117.7322 59.9442 37.9025 178.1228 124 T 4.2209 7.7681 115.9824 64.6679 68.9196 174.9643 125 Q 4.4523 7.7285 119.8008 55.9440 30.9190 174.5896 126 H 4.6153 7.6759 109.9326 55.9723 30.7857 173.5677 127 G 3.8621 9.5212 108.3672 44.6311 0.0000 174.9477 128 G 4.0323 8.0837 106.2599 46.2661 0.0000 173.1752 129 L 4.7339 7.0938 117.7216 52.2189 43.9445 176.7338 130 R 4.2101 8.1470 116.7475 55.2173 30.2978 174.6603 131 P 4.5452 0.0000 0.0000 62.0186 32.2367 175.8913 132 F 4.3220 8.5978 118.8192 57.2569 40.0266 177.6110 133 G 4.0402 8.7510 115.8707 44.9547 0.0000 172.6194 134 V 4.8998 7.2315 118.2751 61.6973 35.5047 174.5536 135 S 4.6231 8.5297 121.4319 56.6849 66.6929 173.0381 136 F 5.2009 8.7101 121.5209 55.6664 42.2929 174.9867 137 I 4.4377 8.2745 122.1746 59.9358 39.6467 174.0663 138 Y 5.0018 8.8144 125.1284 56.7333 39.5587 175.5250 139 A 4.6350 9.5221 126.7346 50.1739 20.9771 174.8394 140 G 4.6959 8.4430 106.8825 45.7304 0.0000 168.9374 141 Y 4.9940 9.0516 120.4603 55.9230 41.8302 173.9129 142 D 4.5785 7.4033 123.9605 51.8572 42.7404 174.2221 143 D 4.5595 8.3639 116.5507 53.1067 39.5993 176.4862 144 R 4.0896 8.6841 126.4437 56.7868 30.0998 175.3444 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 4 G 8.35 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 0.00 0.00 0.00 5 S 8.50 4.60 0.00 4.04 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 6 R 8.35 3.87 0.00 1.83 1.93 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 7 R 7.92 3.61 0.00 1.43 0.67 0.00 2.67 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.34 0.00 8 Y 7.60 4.44 0.00 3.00 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 9 D 7.60 4.55 0.00 2.70 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 10 S 8.71 4.16 0.00 3.92 3.92 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 11 R 8.37 3.80 0.00 2.04 1.96 0.00 3.13 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 12 T 7.81 4.09 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 1.24 0.00 0.00 13 T 7.47 4.61 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 1.23 0.00 0.00 14 I 7.23 4.56 1.93 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 1.63 1.19 0.99 0.00 0.00 15 F 8.42 4.84 0.00 3.07 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 16 S 8.64 4.55 0.00 3.68 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 17 P 0.00 4.53 0.00 2.09 2.19 0.00 3.75 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 2.10 2.18 0.00 18 E 8.13 4.30 0.00 1.87 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 0.00 2.26 2.34 0.00 19 G 8.29 3.57 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 0.00 0.00 0.00 20 R 7.86 4.62 0.00 1.64 1.86 0.00 3.04 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 21 L 7.91 4.69 0.00 1.59 1.50 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.45 3.55 0.00 2.87 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 23 Q 8.12 4.07 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 24 V 7.70 3.55 2.19 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 1.07 0.00 0.00 0.92 0.00 0.00 25 E 8.04 3.92 0.00 1.87 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 2.34 2.33 0.00 26 Y 8.18 4.47 0.00 3.09 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 8.76 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.95 0.00 1.96 1.74 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.07 3.97 0.00 2.07 2.34 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 2.39 2.45 0.00 30 S 8.12 4.29 0.00 3.99 4.12 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 31 I 7.87 3.73 1.96 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 1.82 0.76 0.93 0.00 0.00 32 S 7.98 4.17 0.00 3.95 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 33 H 7.80 4.70 0.00 3.19 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.98 4.41 1.25 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 0.00 0.00 0.00 35 G 8.46 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 36 T 8.51 4.46 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 37 A 8.42 5.17 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 38 I 9.36 4.62 1.88 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 1.16 0.85 0.92 0.00 0.00 39 G 8.70 4.46 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 0.00 0.00 0.00 40 I 8.80 4.64 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 1.12 0.65 0.92 0.00 0.00 41 M 8.79 4.79 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 42 A 8.38 4.55 1.30 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 0.00 0.00 43 S 8.63 4.32 0.00 4.00 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 44 D 8.63 4.87 0.00 2.77 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 45 G 6.92 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 46 I 7.76 5.17 1.91 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 1.27 0.76 0.94 0.00 0.00 47 V 9.09 4.53 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 1.06 0.00 0.00 0.94 0.00 0.00 48 L 8.58 5.35 0.00 1.52 1.52 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.99 4.83 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 50 A 8.43 5.04 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 51 E 9.12 4.49 0.00 2.01 1.82 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 2.22 2.26 0.00 52 R 8.56 4.16 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 53 K 8.70 3.95 0.00 1.72 1.72 0.00 2.02 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.63 3.16 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.13 4.74 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 56 S 8.01 4.67 0.00 3.81 3.69 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 57 T 8.42 4.05 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 58 L 7.75 4.12 0.00 1.64 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.16 3.82 0.00 1.63 1.74 0.92 0.92 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 60 E 8.68 4.12 0.00 1.95 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 2.29 2.35 0.00 61 Q 8.57 4.20 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 62 D 8.13 4.40 0.00 2.68 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 63 T 7.68 4.28 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 63A S 7.36 4.35 0.00 3.99 3.84 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 64 T 7.68 4.01 4.12 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 0.68 0.00 0.00 65 E 8.70 4.81 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 2.13 2.27 0.00 66 K 7.59 4.71 0.00 1.64 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 67 L 7.66 5.12 0.00 1.35 1.49 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.88 4.73 0.00 2.87 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 69 K 8.79 4.51 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 70 L 8.63 4.41 0.00 1.68 1.69 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.75 4.96 0.00 2.64 2.77 0.00 0.00 7.25 8.45 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 72 D 8.76 4.67 0.00 2.72 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 73 K 7.98 4.77 0.00 1.73 2.04 0.00 1.76 0.00 0.00 2.07 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 74 I 7.68 5.21 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.95 0.00 0.00 75 A 8.84 5.19 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 76 V 8.94 4.97 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 0.43 0.00 0.00 0.94 0.00 0.00 77 A 8.80 5.23 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 78 V 8.89 4.76 2.25 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 0.67 0.00 0.00 1.32 0.00 0.00 79 A 8.63 4.29 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 80 G 8.52 3.66 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 0.00 0.00 0.00 81 L 8.63 4.17 0.00 1.65 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.89 3.88 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 1.33 0.00 0.00 83 A 8.01 4.01 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 84 D 8.14 4.42 0.00 2.95 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 85 A 8.29 4.07 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 86 E 8.18 3.68 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 2.02 2.50 0.00 87 I 7.45 3.72 2.19 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 1.62 0.70 1.07 0.00 0.00 88 L 7.70 3.88 0.00 1.85 1.63 0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.26 3.50 1.77 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.78 0.00 0.00 90 N 8.58 4.31 0.00 2.77 2.80 0.00 0.00 6.99 7.13 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 91 T 7.74 3.94 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 1.25 0.00 0.00 92 A 7.80 3.93 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 93 R 7.98 3.86 0.00 2.05 2.02 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 94 I 7.78 3.70 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.94 0.00 0.00 95 H 8.44 4.17 0.00 3.29 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.32 3.93 1.39 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 97 Q 7.83 3.99 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 98 N 8.59 4.32 0.00 2.96 2.92 0.00 0.00 6.65 7.04 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 99 Y 8.10 4.07 0.00 3.21 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 0.00 100 L 7.77 4.30 0.00 1.85 1.92 1.03 0.73 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 0.00 101 K 8.21 3.74 0.00 1.86 1.93 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 102 T 7.91 3.77 3.66 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 0.30 0.00 0.00 103 Y 7.60 4.33 0.00 2.60 2.76 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 0.00 104 N 8.96 4.35 0.00 2.81 2.91 0.00 0.00 6.93 6.93 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 0.00 105 E 7.79 4.85 0.00 2.16 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 2.35 2.55 0.00 106 D 8.59 4.55 0.00 2.70 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 0.00 107 I 8.25 2.78 1.64 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.36 0.77 0.00 0.00 108 P 0.00 4.09 0.00 1.96 1.80 0.00 2.77 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 109 V 8.38 3.41 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 0.92 0.00 0.00 0.88 0.00 0.00 110 E 7.97 3.79 0.00 1.97 1.81 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 2.27 2.29 0.00 111 I 7.48 3.61 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.72 0.00 0.00 112 L 7.53 3.86 0.00 1.52 1.64 0.85 0.77 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 0.00 113 V 7.39 2.89 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 0.42 0.00 0.00 0.11 0.00 0.00 114 R 8.17 3.81 0.00 1.89 1.85 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 115 R 7.72 3.82 0.00 1.88 2.05 0.00 3.15 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.58 0.00 116 L 7.70 3.92 0.00 1.92 1.69 0.74 0.84 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 0.00 117 S 8.24 4.23 0.00 4.04 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 0.00 118 D 8.20 4.43 0.00 2.92 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 0.00 119 I 7.50 3.81 2.00 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 1.55 0.70 0.95 0.00 0.00 120 K 7.80 4.22 0.00 1.98 1.93 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.34 1.53 7.81 121 Q 8.32 4.11 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.12 3.67 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 0.00 0.00 0.00 123 Y 8.05 3.97 0.00 3.12 3.10 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 0.00 124 T 7.77 4.22 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 1.16 0.00 0.00 125 Q 7.73 4.45 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 126 H 7.68 4.62 0.00 3.16 3.19 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.52 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 0.00 128 G 8.08 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 0.00 129 L 7.09 4.73 0.00 1.82 1.67 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.15 4.21 0.00 1.92 1.93 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 131 P 0.00 4.55 0.00 2.09 2.10 0.00 3.69 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 2.15 0.00 132 F 8.60 4.32 0.00 2.87 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 0.00 133 G 8.75 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 0.00 0.00 0.00 134 V 7.23 4.90 1.82 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 -0.24 0.00 0.00 0.86 0.00 0.00 135 S 8.53 4.62 0.00 3.66 3.60 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 0.00 136 F 8.71 5.20 0.00 2.39 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 0.00 0.00 0.00 137 I 8.27 4.44 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 1.25 1.01 0.95 0.00 0.00 138 Y 8.81 5.00 0.00 2.77 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 0.00 139 A 9.52 4.64 1.25 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 0.00 0.00 0.00 140 G 8.44 4.70 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 0.00 0.00 0.00 141 Y 9.05 4.99 0.00 2.94 2.76 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 0.00 142 D 7.40 4.58 0.00 2.57 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 0.00 143 D 8.36 4.56 0.00 2.82 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 0.00 144 R 8.68 4.09 0.00 1.63 1.79 0.00 3.22 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00