NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4270 8.3044 118.1943 55.3714 32.5612 174.3735 1 V 4.1588 7.8017 118.1602 61.1672 34.0074 172.5463 2 L 4.2635 8.2551 127.6388 54.1440 43.4884 176.8555 3 S 4.5915 8.5073 117.0304 57.4418 65.6279 175.1745 4 E 4.2813 8.7233 121.7823 59.3987 29.4802 178.5889 5 G 3.7251 8.1730 105.3325 47.9680 0.0000 175.2856 6 E 3.9045 8.0651 120.6248 59.0018 29.4173 179.4694 7 W 4.3077 8.0853 118.9021 59.8418 29.0378 178.6043 8 Q 4.1287 8.3655 118.0888 59.0831 28.2017 178.8174 9 L 4.0999 7.9329 119.7462 57.7069 41.6131 179.8847 10 V 3.7495 7.8832 118.3010 66.0552 31.6300 178.0081 11 L 4.3676 8.6009 118.4155 57.0883 41.0279 178.9321 12 H 4.2845 8.4195 119.3548 59.2752 29.9141 177.6198 13 V 3.3650 7.8585 120.5549 64.3331 31.2570 178.1112 14 W 3.9389 8.5475 129.0079 60.1962 30.2692 177.7482 15 A 3.9716 7.9989 120.0315 54.9029 18.0858 179.5772 16 K 3.9265 7.3198 116.8612 59.4771 32.1504 179.4639 17 V 2.7869 7.1114 118.4667 65.9276 31.0126 177.7450 18 E 3.8652 7.5453 115.7814 58.2818 29.2732 178.6163 19 A 4.2571 7.4226 120.2612 53.6428 19.6735 177.5994 20 D 4.6149 7.8443 116.8571 52.2322 42.5908 175.5206 21 V 3.4879 7.9583 123.2038 65.2575 31.9125 176.8981 22 A 4.1771 7.9775 120.3420 54.8362 18.2687 179.7247 23 G 3.6587 8.2589 105.8984 47.5957 0.0000 175.8675 24 H 4.1566 8.2056 118.5227 58.4410 28.6925 178.0670 25 G 3.6273 8.4798 108.0220 47.8099 0.0000 175.7409 26 Q 3.8405 8.3616 120.7062 58.8148 28.8262 178.2897 27 D 4.3275 7.9009 119.7780 57.6205 40.8605 179.2993 28 I 3.6343 7.7168 119.7690 64.4999 37.0796 178.6215 29 L 3.4512 7.6522 119.6763 57.5476 41.2582 179.7131 30 I 3.6997 7.6193 119.9103 64.0758 36.9474 178.3614 31 R 3.8403 7.9299 119.7364 59.0169 29.8120 178.4300 32 L 3.8621 7.8017 120.2267 58.3132 42.0427 179.0405 33 F 4.6019 7.8104 117.8923 60.4636 38.5231 177.9885 34 K 4.0093 8.3070 117.9614 59.5981 32.0066 179.3666 35 S 4.3139 8.0752 114.4864 60.2691 63.8911 174.2959 36 H 4.5733 8.3475 119.4759 52.1979 29.3826 172.0023 37 P 4.6531 0.0000 0.0000 64.5576 31.3206 177.4592 38 E 4.0809 8.3546 116.4275 59.7187 29.1244 179.2832 39 T 3.7792 8.3235 111.1552 64.4040 68.8188 176.2103 40 L 3.6951 7.9024 123.1953 58.0083 41.6948 178.7500 41 E 4.1063 7.9155 117.6982 59.0792 29.4525 178.7728 42 K 4.4639 8.2891 116.6913 56.9107 32.8293 177.7487 43 F 4.6085 8.2521 119.6621 55.5137 38.8897 175.4601 44 D 4.5110 8.6190 124.1978 57.4254 40.8990 178.9175 45 R 3.8943 7.7006 115.8590 57.6518 30.4762 176.8252 46 F 4.7981 8.1127 115.0231 56.4436 40.5381 176.7837 47 K 4.0734 8.1544 120.0036 59.1343 32.4041 177.5882 48 H 4.4069 8.1779 114.2915 57.1933 29.0857 175.7043 49 L 4.0046 7.4014 121.1758 55.2824 41.7414 176.9258 50 K 4.2675 9.9204 124.2252 57.3905 33.3528 176.8813 51 T 4.7010 7.4779 107.5117 59.1138 73.1682 174.2646 52 E 3.9642 8.5715 120.1368 58.9473 29.5362 178.3735 53 A 4.0840 7.9075 120.8267 54.9579 18.2879 179.2833 54 E 3.9157 7.7800 115.9496 59.7854 29.8713 179.0202 55 M 4.1859 8.1334 118.7144 58.5396 31.8479 179.0957 56 K 4.0043 8.5189 117.2023 58.6828 32.2723 178.3407 57 A 4.4414 7.4216 118.4485 51.3225 19.4762 177.0115 58 S 4.3005 7.6285 114.2563 57.5069 63.2459 174.5572 59 E 3.9970 8.9506 128.5590 59.4064 29.5011 178.3908 60 D 4.4706 8.1816 118.5791 57.3141 41.0137 178.1858 61 L 3.1051 7.8959 120.8434 57.8119 42.0978 179.0005 62 K 3.8680 7.8244 118.9993 59.4689 32.1388 178.9752 63 K 4.0307 8.0971 118.8519 59.3064 31.8354 179.1456 64 L 4.1524 8.1186 120.9805 57.8921 41.9634 179.0120 65 G 3.6591 8.1737 105.9119 47.9539 0.0000 175.7854 66 V 3.6088 7.7097 120.3099 65.9189 31.5643 178.1741 67 T 3.8920 8.0079 115.5442 66.7372 68.3488 176.7650 68 V 3.6638 8.1729 120.3602 66.1072 31.5312 178.1054 69 L 4.2837 8.2797 118.7862 57.8855 41.4679 179.5780 70 T 4.0086 8.3296 115.9632 66.4795 68.3054 176.6646 71 A 3.9975 8.0801 122.8126 54.9590 18.3359 179.4256 72 L 3.6969 8.0936 119.0383 58.0966 42.1246 179.3479 73 G 3.3526 8.5370 105.8316 47.8229 0.0000 175.5029 74 A 4.0056 7.7691 122.0411 54.7490 18.6936 179.4869 75 I 3.8524 7.3633 118.2272 64.3579 37.2523 178.5551 76 L 3.9941 7.8220 120.1249 57.4917 41.1841 179.5424 77 K 3.9749 7.8138 117.4116 58.7372 32.1183 179.1369 78 K 3.9029 7.8621 118.6703 56.6629 32.0767 176.9711 79 K 2.0000 8.0642 117.3481 56.6134 29.5434 176.1460 80 G 4.0426 8.1149 107.1246 45.8037 0.0000 174.6137 81 H 4.9778 7.7018 118.4354 54.0021 27.1453 174.4078 82 H 5.1709 7.2844 112.2593 53.8177 29.6010 176.1670 83 E 3.9670 8.6941 121.6573 60.3429 28.9313 179.1725 84 A 4.0227 7.8750 118.2963 55.3333 19.1703 178.9633 85 E 4.0757 8.2295 116.6157 59.6729 29.4588 179.4429 86 L 4.0129 8.3644 118.8764 57.0236 41.6535 179.4680 87 K 3.9726 7.7652 118.9383 59.0956 32.0937 177.5254 88 P 4.3710 0.0000 0.0000 65.3894 31.3148 178.1336 89 L 4.0442 7.4806 118.5306 57.9052 42.0623 178.6488 90 A 4.1646 8.4071 121.1809 55.2010 18.3656 179.3552 91 Q 3.9290 8.2372 118.3913 59.4279 29.1679 178.7345 92 S 4.0656 8.3497 115.2693 61.5164 63.0981 175.9260 93 H 4.2373 8.6254 119.2457 57.7160 28.3641 177.0536 94 A 2.8929 7.8038 121.5864 53.3004 18.8336 178.5453 95 T 4.0612 7.5408 112.6982 64.0418 70.0014 175.6496 96 K 4.1079 7.5951 120.4286 58.5794 32.9177 177.1877 97 H 4.3588 7.6277 113.5939 56.1588 29.5461 174.8698 98 K 3.1697 7.4977 117.4669 56.6669 28.1369 174.2258 99 I 4.3713 8.1355 119.2047 58.4615 38.5982 174.7313 100 P 4.4597 0.0000 0.0000 62.3510 32.0436 177.5304 101 I 3.6706 8.1826 120.5222 64.3113 36.8318 178.7203 102 K 3.8821 7.8817 120.1476 59.6469 31.9488 178.1960 103 Y 4.2885 8.0136 116.9852 60.6486 37.8025 177.9668 104 L 4.2155 7.8782 119.7861 57.5860 41.7799 179.0639 105 E 4.0326 8.1936 118.8634 59.2762 29.4232 179.2790 106 F 4.4757 7.8192 117.8862 60.8272 38.9512 177.6275 107 I 3.9061 8.2040 117.8551 63.8121 37.7510 178.0643 108 S 4.1942 8.2146 116.5434 61.5025 62.6219 176.1110 109 E 4.0658 8.4451 121.9977 59.1166 29.3919 178.7256 110 A 4.0802 8.0349 120.9183 54.9331 18.3635 179.7413 111 I 3.7188 8.1181 118.7354 64.7317 37.1397 178.7792 112 I 3.8419 7.9772 120.6653 64.3952 36.4168 178.0761 113 H 4.1146 8.4255 119.3973 59.2920 29.6439 177.5971 114 V 3.6332 7.9759 120.1069 65.8712 31.3567 178.0603 115 L 3.8063 7.9579 118.9991 57.7917 41.0646 178.8951 116 H 4.3563 8.2037 117.9304 58.5656 29.8176 176.6195 117 S 4.4003 7.3808 114.0731 59.6314 63.7080 175.8290 118 R 4.1739 7.9381 120.1221 56.8225 31.4026 175.9920 119 H 5.0064 8.1354 116.1609 53.9412 29.7490 173.0277 120 P 4.3293 0.0000 0.0000 65.8197 31.7519 179.3592 121 G 3.6669 8.1623 106.7527 47.5887 0.0000 173.6909 122 N 5.0307 8.2291 115.4409 52.8622 39.3448 175.1732 123 F 4.9333 7.8621 118.7182 56.2909 39.7624 174.6679 124 G 3.8953 7.6705 109.0802 44.3655 0.0000 171.9175 125 A 3.8938 8.4133 120.5566 55.2559 18.3841 179.8328 126 D 4.1953 7.9469 116.7883 57.4410 40.9170 178.7090 127 A 3.9214 7.7467 120.7543 54.8632 18.3965 179.3015 128 Q 3.1619 7.8358 118.6739 58.7341 29.0128 178.4465 129 G 3.5255 8.0797 106.7578 47.5970 0.0000 175.6050 130 A 3.8473 8.0199 123.2896 54.9963 18.3867 179.3872 131 M 3.9572 8.2254 116.9842 58.6981 32.3459 177.8646 132 N 4.2939 8.5995 117.6123 56.6599 39.0589 176.5986 133 K 3.8395 8.1144 120.7276 59.5379 32.1897 178.5436 134 A 3.8315 8.0878 121.1581 55.1161 18.2335 179.6101 135 L 4.1246 8.1767 117.4813 57.7030 41.6617 179.4649 136 E 4.0207 8.7257 119.2850 59.0837 29.3473 179.0274 137 L 3.9261 8.2595 120.7375 58.1265 42.1661 178.5676 138 F 4.1744 8.3993 120.5992 61.6752 39.1774 177.3624 139 R 3.4260 8.4305 117.8242 58.9270 29.8257 178.9695 140 K 3.8537 8.1679 119.5872 59.6131 32.1625 178.6257 141 D 4.3682 8.1949 119.1542 57.0744 40.6586 178.8645 142 I 3.4355 7.5678 120.4621 64.0589 36.9921 178.2476 143 A 3.6783 8.0208 121.8263 54.9287 18.2110 179.5971 144 A 3.9633 7.8936 119.3988 55.1992 18.3571 180.0604 145 K 4.0048 8.0608 117.1342 59.6047 32.0107 179.0405 146 Y 4.4017 8.3886 117.5551 61.2290 37.9376 178.7559 147 K 3.9549 8.2298 120.3039 59.7330 32.0844 178.7062 148 E 4.0582 8.0105 117.4883 59.1085 29.4520 178.7095 149 L 4.3175 8.0384 117.6959 55.4922 41.8689 177.8116 150 G 4.0868 7.9743 107.2168 45.4441 0.0000 173.0014 151 Y 4.3659 8.1277 119.9140 59.3888 40.5308 176.8916 152 Q 3.1377 7.5153 113.9941 57.1290 26.8199 174.1698 153 G 3.0616 7.0876 113.7472 44.8215 0.0000 170.1723 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 0 M 8.30 4.43 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.80 4.16 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 0.82 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.26 0.00 1.02 0.79 0.59 -0.45 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 3 S 8.51 4.59 0.00 4.07 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 4 E 8.72 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.17 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 0.00 0.00 0.00 6 E 8.07 3.90 0.00 1.96 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 2.20 2.26 0.00 7 W 8.09 4.31 0.00 3.57 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 8 Q 8.37 4.13 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.93 4.10 0.00 1.90 1.74 0.88 0.73 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 10 V 7.88 3.75 2.43 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.60 4.37 0.00 1.84 1.81 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.42 4.28 0.00 3.49 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.86 3.37 2.42 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 1.06 0.00 0.00 0.91 0.00 0.00 14 W 8.55 3.94 0.00 3.64 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 15 A 8.00 3.97 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 16 K 7.32 3.93 0.00 1.37 1.67 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.11 2.79 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 0.00 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 18 E 7.55 3.87 0.00 1.96 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 2.24 2.00 0.00 19 A 7.42 4.26 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 20 D 7.84 4.61 0.00 2.71 2.51 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 0.00 0.00 0.00 21 V 7.96 3.49 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 1.00 0.00 0.00 0.87 0.00 0.00 22 A 7.98 4.18 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 23 G 8.26 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 24 H 8.21 4.16 0.00 3.30 3.26 0.00 5.83 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 25 G 8.48 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 26 Q 8.36 3.84 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 27 D 7.90 4.33 0.00 2.84 2.66 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 28 I 7.72 3.63 1.90 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 1.52 0.55 0.88 0.00 0.00 29 L 7.65 3.45 0.00 1.39 1.03 0.73 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.62 3.70 1.87 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 1.41 0.57 0.88 0.00 0.00 31 R 7.93 3.84 0.00 1.89 2.11 0.00 3.02 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 32 L 7.80 3.86 0.00 1.70 1.38 1.04 0.79 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 33 F 7.81 4.60 0.00 3.01 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 34 K 8.31 4.01 0.00 1.64 1.83 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.73 7.81 35 S 8.08 4.31 0.00 3.72 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 36 H 8.35 4.57 0.00 2.94 2.71 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.65 0.00 2.14 2.08 0.00 3.82 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 2.08 2.17 0.00 38 E 8.35 4.08 0.00 2.28 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 2.27 2.52 0.00 39 T 8.32 3.78 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 0.81 0.00 0.00 40 L 7.90 3.70 0.00 1.46 1.71 -0.08 0.69 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 41 E 7.92 4.11 0.00 2.24 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 2.39 2.40 0.00 42 K 8.29 4.46 0.00 1.87 1.73 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.99 7.81 43 F 8.25 4.61 0.00 3.36 3.36 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 44 D 8.62 4.51 0.00 2.63 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 45 R 7.70 3.89 0.00 0.81 1.10 0.00 3.11 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 46 F 8.11 4.80 0.00 2.85 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 47 K 8.15 4.07 0.00 1.87 2.16 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 48 H 8.18 4.41 0.00 3.33 3.49 0.00 5.54 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 49 L 7.40 4.00 0.00 1.56 1.60 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.92 4.27 0.00 1.65 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 T 7.48 4.70 4.23 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 1.20 0.00 0.00 52 E 8.57 3.96 0.00 2.05 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 2.36 2.35 0.00 53 A 7.91 4.08 1.31 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 0.00 0.00 0.00 54 E 7.78 3.92 0.00 2.15 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 2.35 2.34 0.00 55 M 8.13 4.19 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 56 K 8.52 4.00 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 57 A 7.42 4.44 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 58 S 7.63 4.30 0.00 3.94 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 59 E 8.95 4.00 0.00 2.15 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 2.40 2.48 0.00 60 D 8.18 4.47 0.00 3.26 3.30 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 61 L 7.90 3.11 0.00 1.38 1.60 0.18 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.87 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.10 4.03 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.79 7.81 64 L 8.12 4.15 0.00 1.89 1.74 1.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.17 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 66 V 7.71 3.61 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 1.12 0.00 0.00 0.95 0.00 0.00 67 T 8.01 3.89 4.51 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 0.00 0.00 1.29 0.00 0.00 68 V 8.17 3.66 2.32 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 1.10 0.00 0.00 1.12 0.00 0.00 69 L 8.28 4.28 0.00 1.80 1.86 0.93 0.81 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 70 T 8.33 4.01 4.49 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 1.26 0.00 0.00 71 A 8.08 4.00 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 72 L 8.09 3.70 0.00 1.62 1.77 0.30 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 3.35 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 0.00 74 A 7.77 4.01 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 75 I 7.36 3.85 1.82 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 1.52 1.12 0.87 0.00 0.00 76 L 7.82 3.99 0.00 1.38 1.57 -0.00 1.05 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 77 K 7.81 3.97 0.00 1.70 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.86 3.90 0.00 1.88 1.77 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.74 7.81 79 K 8.06 2.00 0.00 1.37 0.74 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.62 7.81 80 G 8.11 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 81 H 7.70 4.98 0.00 3.15 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.17 0.00 3.27 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.69 3.97 0.00 2.09 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 2.43 2.49 0.00 84 A 7.87 4.02 1.31 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 0.00 0.00 0.00 85 E 8.23 4.08 0.00 2.24 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 2.40 2.48 0.00 86 L 8.36 4.01 0.00 1.99 1.73 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.77 3.97 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.64 7.81 88 P 0.00 4.37 0.00 2.30 2.33 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 89 L 7.48 4.04 0.00 1.97 1.91 1.06 1.01 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 90 A 8.41 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.93 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 92 S 8.35 4.07 0.00 3.98 4.11 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 93 H 8.63 4.24 0.00 3.63 3.63 0.00 5.80 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 94 A 7.80 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.54 4.06 4.17 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 1.11 0.00 0.00 96 K 7.60 4.11 0.00 1.54 1.59 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.31 7.81 97 H 7.63 4.36 0.00 3.01 3.19 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.17 0.00 1.79 1.82 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.17 7.81 99 I 8.14 4.37 2.14 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 1.42 1.00 1.16 0.00 0.00 100 P 0.00 4.46 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.31 0.00 101 I 8.18 3.67 1.80 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 1.31 0.82 0.85 0.00 0.00 102 K 7.88 3.88 0.00 1.71 1.62 0.00 1.24 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 0.69 7.81 103 Y 8.01 4.29 0.00 3.20 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 0.00 104 L 7.88 4.22 0.00 1.80 1.81 0.77 1.17 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 0.00 105 E 8.19 4.03 0.00 2.05 1.98 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 2.31 2.40 0.00 106 F 7.82 4.48 0.00 3.19 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 0.00 107 I 8.20 3.91 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 1.08 0.00 0.00 108 S 8.21 4.19 0.00 4.21 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 0.00 109 E 8.45 4.07 0.00 2.18 2.26 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 2.39 2.41 0.00 110 A 8.03 4.08 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 0.00 111 I 8.12 3.72 2.10 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 1.62 0.67 1.04 0.00 0.00 112 I 7.98 3.84 1.99 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 1.70 0.88 1.12 0.00 0.00 113 H 8.43 4.11 0.00 3.38 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.98 3.63 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 1.01 0.00 0.00 0.99 0.00 0.00 115 L 7.96 3.81 0.00 0.27 0.72 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.20 4.36 0.00 3.41 3.56 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.38 4.40 0.00 4.01 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 0.00 118 R 7.94 4.17 0.00 1.50 1.65 0.00 3.11 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 119 H 8.14 5.01 0.00 3.21 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.25 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.16 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 0.00 122 N 8.23 5.03 0.00 2.80 2.92 0.00 0.00 6.69 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 0.00 123 F 7.86 4.93 0.00 2.92 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 0.00 124 G 7.67 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 0.00 125 A 8.41 3.89 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 0.00 126 D 7.95 4.20 0.00 2.65 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 0.00 127 A 7.75 3.92 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 0.00 128 Q 7.84 3.16 0.00 1.34 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 129 G 8.08 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 0.00 130 A 8.02 3.85 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 0.00 131 M 8.23 3.96 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.91 0.00 132 N 8.60 4.29 0.00 2.87 2.95 0.00 0.00 6.87 6.71 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 0.00 133 K 8.11 3.84 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.37 7.81 134 A 8.09 3.83 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 0.00 135 L 8.18 4.12 0.00 1.77 1.82 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.73 4.02 0.00 2.09 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 0.00 2.34 2.63 0.00 137 L 8.26 3.93 0.00 1.82 1.94 1.07 1.24 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 0.00 138 F 8.40 4.17 0.00 3.07 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 0.00 139 R 8.43 3.43 0.00 1.94 1.82 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 140 K 8.17 3.85 0.00 1.81 1.97 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.19 4.37 0.00 2.86 2.68 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 0.00 142 I 7.57 3.44 1.35 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 0.82 -0.31 0.04 0.00 0.00 143 A 8.02 3.68 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 0.00 144 A 7.89 3.96 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 0.00 145 K 8.06 4.00 0.00 2.02 1.93 0.00 1.88 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.39 4.40 0.00 3.37 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 0.00 147 K 8.23 3.95 0.00 1.87 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.01 4.06 0.00 2.15 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 2.36 2.61 0.00 149 L 8.04 4.32 0.00 1.80 1.72 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 4.09 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 0.00 0.00 0.00 151 Y 8.13 4.37 0.00 2.48 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 0.00 152 Q 7.52 3.14 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 153 G 7.09 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 0.00 0.00 0.00