NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3141 8.2393 117.2820 54.9435 29.6402 174.9201 6 P 4.0427 0.0000 0.0000 62.2501 31.7903 174.8562 7 S 4.4461 8.5812 115.0420 56.9941 63.3354 175.3708 8 L 3.9649 8.7882 130.6911 58.6877 41.5813 178.9454 9 T 3.9057 7.7972 108.8897 64.6981 68.9594 176.1724 10 L 3.9477 8.0085 123.4412 58.1530 41.9923 179.1063 11 T 4.0076 8.1292 115.6448 66.5446 68.3577 176.3676 12 L 3.9689 8.2547 121.3387 57.9732 41.7051 179.5178 13 L 3.9935 7.7760 119.8567 58.0900 41.9942 178.9606 14 Q 3.9781 8.3943 118.0572 58.9575 28.6842 178.4057 15 A 3.9600 8.3096 122.1363 55.4030 18.2579 179.7189 16 R 3.9242 7.9833 117.0239 59.3414 30.1643 178.6974 17 E 3.9340 8.3354 118.3340 59.3345 29.2929 178.6127 18 A 3.9922 7.9173 119.2623 55.7188 18.6684 179.2704 19 A 4.1951 8.1537 118.5138 55.6328 18.4618 179.7695 20 M 4.3836 8.6839 117.7172 58.3368 31.7491 178.9810 21 S 4.0691 7.8044 113.2539 61.0758 63.0941 176.1946 22 F 3.9041 8.0479 120.6004 59.1777 38.9084 176.4801 23 F 4.7017 7.6243 115.5701 57.9649 40.1372 177.8441 24 R 3.9721 8.1490 118.3204 58.5476 29.5503 177.0502 25 P 4.2392 0.0000 0.0000 65.8084 31.4759 178.8073 26 S 4.1580 7.9322 113.3469 61.3416 62.7214 176.7219 27 L 3.7847 7.8052 121.6053 58.4093 41.4021 178.3957 28 N 4.0559 10.3311 114.8967 57.0141 38.2615 176.8707 29 Q 3.9853 9.8141 121.4956 59.0511 29.2517 178.1649 30 H 4.5206 7.9503 112.0856 54.4690 29.7250 174.5947 31 G 4.0092 8.5170 108.3012 46.4236 0.0000 173.5042 32 L 5.0602 8.0041 116.1862 53.1183 44.3270 177.5643 33 T 4.3364 8.8959 111.6643 61.1411 71.2162 175.8072 34 E 4.1573 8.7756 121.0393 59.8923 29.5350 179.4977 35 Q 4.0513 8.0414 118.4787 58.6758 28.8925 178.0084 36 Q 4.0430 8.0872 119.1474 58.9409 28.8305 179.0008 37 W 4.3727 8.2761 129.1748 60.4436 30.7295 178.0523 38 R 3.7352 8.5123 118.5475 59.2273 29.4581 179.0760 39 V 3.4867 7.5125 117.1854 66.0745 31.4870 177.9392 40 I 3.5754 7.8060 119.6040 64.4994 36.9529 178.4783 41 R 3.5066 7.8000 118.8867 59.2886 29.7561 179.2897 42 I 3.6201 7.5780 119.3146 64.3347 37.1615 178.5776 43 L 4.0869 8.0542 120.1028 57.4615 41.1104 179.4304 44 R 3.5492 7.7980 118.5323 59.4930 30.0496 178.1219 45 Q 3.9323 7.6493 118.1503 58.5483 29.2225 177.2047 46 Q 4.3847 8.2797 116.7804 56.5733 30.0834 177.0819 47 G 3.8269 8.0762 108.3030 44.1546 0.0000 172.7587 48 E 4.5040 8.6656 116.9209 57.4292 30.3247 176.3908 49 M 4.7724 9.0053 120.9966 53.7583 36.3833 173.6319 50 E 3.4209 8.1605 126.5053 55.7892 30.6729 177.8948 51 S 3.9798 8.7052 121.6537 61.5977 63.0888 176.5788 52 Y 3.8097 8.6048 120.5361 60.6777 37.6437 177.6056 53 Q 3.9475 8.6466 120.8551 59.0185 29.0571 178.2992 54 L 3.8162 8.0066 121.0477 58.1256 42.1572 178.5635 55 A 3.9353 7.7088 120.5679 55.5143 17.7923 179.4327 56 N 4.2825 8.2135 114.6971 56.5106 38.3835 177.7278 57 Q 3.8911 7.9926 118.3043 58.4137 29.0641 177.6131 58 A 4.1340 8.2995 119.5427 51.5953 20.1364 176.6867 59 C 4.0124 7.3167 113.9791 60.6937 25.8193 172.8618 60 I 4.6289 7.9834 118.6821 59.1143 41.0672 176.1426 61 L 4.2721 8.2576 124.2179 54.0290 42.2243 178.2832 62 R 3.8121 8.6365 119.6763 59.1790 29.3534 177.4414 63 P 4.3257 0.0000 0.0000 65.1859 31.3267 178.5742 64 S 3.9622 8.0736 113.0775 61.2386 63.0172 176.1986 65 M 3.9251 7.9074 121.6446 58.6972 31.9656 177.8656 66 T 3.9118 7.5509 114.8453 66.7612 68.5809 176.6739 67 G 3.5672 7.5000 106.0860 47.4114 0.0000 175.7702 68 V 3.5934 7.9621 120.9653 66.0191 31.5131 178.1299 69 L 3.9477 8.3328 118.5265 57.8280 41.4266 179.5072 70 A 4.0479 8.0062 120.7200 54.8942 18.2719 179.6522 71 R 3.8176 8.1997 117.3962 59.7496 30.2232 178.8759 72 L 4.0478 7.9403 118.7913 57.6546 41.7046 179.0768 73 E 4.2517 8.7903 121.0571 58.8405 29.3617 178.9259 74 R 3.9866 7.9997 117.8705 59.0883 30.2102 177.2553 75 D 4.7439 8.0957 116.2274 53.7393 41.0077 177.0835 76 G 3.9768 7.6913 107.1528 46.1876 0.0000 174.9733 77 I 4.1035 8.0762 122.7338 63.3024 38.0623 176.4073 78 V 4.9994 7.7912 113.1313 59.4015 35.8999 174.6048 79 R 4.7999 8.9395 122.3745 54.7215 32.9619 174.6344 80 R 5.3740 8.7199 123.5850 54.2358 33.2381 174.9648 81 W 5.3906 8.4551 119.0923 54.8817 32.0703 174.0421 82 K 4.8724 8.9056 121.3413 55.8174 32.7310 176.6892 83 A 4.1317 8.6038 126.6418 51.9350 18.6952 176.3506 84 P 4.2181 0.0000 0.0000 65.2765 31.5123 177.7932 85 K 4.5289 7.5124 114.9123 56.1271 33.2409 176.0186 86 D 4.7283 7.6933 117.4307 55.1085 43.3805 176.3997 87 Q 4.2381 8.6693 123.7649 57.5091 29.0066 177.4294 88 R 4.3919 7.9681 115.7872 56.2086 30.7160 176.2146 89 R 4.5484 7.8714 118.6675 54.9506 32.3467 175.5997 90 V 4.6672 8.1336 121.9702 61.4233 34.4325 173.8903 91 Y 4.3086 8.3156 125.8758 56.7645 39.7390 174.8466 92 V 5.0132 8.4143 122.3103 61.2286 35.0590 174.0349 93 N 5.4321 9.0397 122.9640 51.0708 41.2361 173.6201 94 L 4.6461 8.5075 120.1301 55.2041 42.6968 177.2949 95 T 4.3315 9.0028 113.8401 60.8274 70.7251 175.5326 96 E 4.0178 8.8719 120.4878 59.4980 29.2361 179.5341 97 K 4.1027 8.1357 119.3341 59.4572 32.2601 179.0036 98 G 3.6541 8.2887 106.1353 47.8762 0.0000 175.7689 99 Q 4.1187 8.6397 120.8847 58.8159 28.6314 178.6320 100 Q 4.0591 8.2641 120.7144 58.8666 29.2205 177.2940 101 C 4.0740 8.4248 120.1658 62.5951 31.3803 175.1430 102 F 4.3764 8.4634 121.0128 61.5538 39.3815 176.7829 103 V 3.8450 8.2771 117.8929 66.3420 31.1418 178.2462 104 S 4.2184 8.1369 112.1134 61.4248 63.1019 175.7840 105 M 3.9426 7.9108 121.9376 57.4237 31.5931 178.6094 106 S 4.1259 7.6820 114.7528 60.9887 63.0307 176.8734 107 G 3.5458 7.9467 108.8965 47.7433 0.0000 175.0369 108 D 4.3805 8.0610 121.4699 57.5423 40.8918 179.0034 109 M 4.3150 8.1569 118.8267 58.1399 31.8182 178.5141 110 E 4.1529 8.6067 119.9712 59.3630 29.8658 178.9866 111 K 4.3613 8.0517 119.8673 59.1474 32.2060 179.1277 112 N 4.2788 8.3713 116.7077 56.3099 38.2491 177.1656 113 Y 4.1109 8.0943 118.4311 60.9799 37.8190 178.1334 114 Q 4.0578 8.6591 119.5393 59.1766 28.8747 179.2310 115 R 3.9343 8.1370 118.9564 59.2804 30.0952 179.2538 116 I 3.1937 7.2748 119.3102 64.0440 36.9669 178.2727 117 Q 4.0362 8.3962 120.7335 59.2498 28.7153 178.1004 118 E 3.9311 8.0364 118.2890 59.5673 29.6421 179.0656 119 R 4.1252 7.8144 116.9164 58.3144 30.2412 177.2828 120 F 4.8091 8.4345 119.7651 58.3644 40.3892 176.0491 121 G 4.0007 8.3838 108.9869 44.7455 0.0000 174.5418 122 E 3.9478 9.0466 123.6694 59.1089 29.6317 178.6419 123 E 3.9126 7.9581 119.3231 58.4163 30.1709 178.0331 124 K 3.9665 7.8223 118.0370 59.3528 31.9644 178.8443 125 L 4.3420 8.3244 120.5930 58.1736 42.0571 178.9619 126 A 4.0277 7.6530 120.4699 55.3147 18.2957 179.6476 127 Q 3.9791 8.5720 117.0835 58.8018 28.7378 178.8281 128 L 4.0027 8.1312 121.3725 58.2316 42.1704 178.9363 129 L 4.0122 7.9582 118.8718 57.8597 41.5715 179.2836 130 E 3.9683 8.2925 118.3510 59.6634 29.3900 179.5887 131 L 4.0460 8.1490 118.8812 57.7757 41.7421 179.6605 132 L 4.0195 8.5329 119.4257 57.7966 41.3284 179.1646 133 N 4.3477 8.3059 116.0204 56.2555 38.8296 176.7744 134 E 4.0638 8.1784 120.7752 59.1795 29.9156 178.5487 135 L 3.9875 8.2736 120.7543 58.1743 42.1035 179.1317 136 K 4.0572 8.0580 118.1440 59.0621 31.7463 178.7444 137 K 4.2969 7.6803 116.7126 57.5317 32.2261 178.2621 138 I 4.1079 7.3267 112.4658 60.6279 38.0627 175.9262 139 K 3.8945 7.2891 122.7127 55.9477 32.3827 174.6299 140 P 4.4243 0.0000 0.0000 63.1800 31.2210 176.0227 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 5 R 8.24 4.31 0.00 1.94 2.07 0.00 3.02 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 6 P 0.00 4.04 0.00 2.29 2.12 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 7 S 8.58 4.45 0.00 3.88 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 8 L 8.79 3.96 0.00 1.80 1.67 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.80 3.91 4.25 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 1.22 0.00 0.00 10 L 8.01 3.95 0.00 1.79 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.13 4.01 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 12 L 8.25 3.97 0.00 1.86 1.74 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.78 3.99 0.00 1.97 1.80 0.93 1.17 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 14 Q 8.39 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 15 A 8.31 3.96 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 16 R 7.98 3.92 0.00 2.02 2.13 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 17 E 8.34 3.93 0.00 2.21 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 2.54 2.48 0.00 18 A 7.92 3.99 1.41 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 0.00 0.00 19 A 8.15 4.20 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 20 M 8.68 4.38 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.91 0.00 21 S 7.80 4.07 0.00 3.77 3.89 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 22 F 8.05 3.90 0.00 2.52 2.48 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 23 F 7.62 4.70 0.00 2.98 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 24 R 8.15 3.97 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 25 P 0.00 4.24 0.00 2.07 2.03 0.00 3.45 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 1.98 2.09 0.00 26 S 7.93 4.16 0.00 3.72 3.83 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 27 L 7.81 3.78 0.00 1.80 1.87 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 N 10.33 4.06 0.00 2.83 2.79 0.00 0.00 7.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 9.81 3.99 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 30 H 7.95 4.52 0.00 3.13 3.24 0.00 5.81 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 31 G 8.52 4.01 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 0.00 0.00 0.00 32 L 8.00 5.06 0.00 1.85 1.85 1.07 0.70 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 33 T 8.90 4.34 4.50 0.00 0.00 0.00 0.00 0.00 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 34 E 8.78 4.16 0.00 2.31 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 2.41 2.46 0.00 35 Q 8.04 4.05 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 36 Q 8.09 4.04 0.00 2.44 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 37 W 8.28 4.37 0.00 3.40 3.24 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 38 R 8.51 3.74 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 39 V 7.51 3.49 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 1.07 0.00 0.00 0.92 0.00 0.00 40 I 7.81 3.58 1.78 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.86 0.00 0.00 41 R 7.80 3.51 0.00 1.61 1.72 0.00 3.16 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 42 I 7.58 3.62 1.76 0.00 0.00 0.78 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 0.60 0.83 0.00 0.00 43 L 8.05 4.09 0.00 1.78 1.66 0.89 1.17 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 44 R 7.80 3.55 0.00 1.26 1.60 0.00 2.94 0.00 0.00 2.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 45 Q 7.65 3.93 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 46 Q 8.28 4.38 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.33 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 47 G 8.08 3.83 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 0.00 0.00 0.00 48 E 8.67 4.50 0.00 2.38 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 2.46 2.64 0.00 49 M 9.01 4.77 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 50 E 8.16 3.42 0.00 1.16 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 1.93 2.00 0.00 51 S 8.71 3.98 0.00 3.91 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 52 Y 8.60 3.81 0.00 3.22 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 53 Q 8.65 3.95 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 54 L 8.01 3.82 0.00 1.76 1.71 0.84 0.95 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 55 A 7.71 3.94 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 56 N 8.21 4.28 0.00 2.91 2.86 0.00 0.00 7.07 7.02 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 57 Q 7.99 3.89 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 58 A 8.30 4.13 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 59 C 7.32 4.01 0.00 2.92 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 60 I 7.98 4.63 1.82 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 1.28 0.74 0.87 0.00 0.00 61 L 8.26 4.27 0.00 1.69 1.56 0.91 0.86 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 62 R 8.64 3.81 0.00 1.79 2.05 0.00 3.07 0.00 0.00 3.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 63 P 0.00 4.33 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 64 S 8.07 3.96 0.00 4.06 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 65 M 7.91 3.93 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 66 T 7.55 3.91 4.20 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 1.18 0.00 0.00 67 G 7.50 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 68 V 7.96 3.59 2.16 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 1.02 0.00 0.00 0.97 0.00 0.00 69 L 8.33 3.95 0.00 1.64 1.67 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.01 4.05 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 71 R 8.20 3.82 0.00 2.06 2.04 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 72 L 7.94 4.05 0.00 1.90 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.79 4.25 0.00 2.08 2.16 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 2.33 2.21 0.00 74 R 8.00 3.99 0.00 1.98 2.17 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 75 D 8.10 4.74 0.00 2.73 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 76 G 7.69 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 77 I 8.08 4.10 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.98 0.00 0.00 78 V 7.79 5.00 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 0.81 0.00 0.00 0.96 0.00 0.00 79 R 8.94 4.80 0.00 1.95 1.91 0.00 3.07 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 80 R 8.72 5.37 0.00 1.90 1.79 0.00 3.20 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 81 W 8.46 5.39 0.00 3.46 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 82 K 8.91 4.87 0.00 1.77 1.86 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.50 7.81 83 A 8.60 4.13 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 84 P 0.00 4.22 0.00 2.06 2.17 0.00 3.77 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 85 K 7.51 4.53 0.00 1.85 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.40 7.81 86 D 7.69 4.73 0.00 2.71 2.60 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 87 Q 8.67 4.24 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 88 R 7.97 4.39 0.00 1.95 1.95 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 89 R 7.87 4.55 0.00 2.11 2.01 0.00 3.12 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 90 V 8.13 4.67 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 91 Y 8.32 4.31 0.00 1.43 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 0.00 0.00 0.00 92 V 8.41 5.01 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 1.10 0.00 0.00 0.79 0.00 0.00 93 N 9.04 5.43 0.00 2.89 3.09 0.00 0.00 6.88 6.74 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 94 L 8.51 4.65 0.00 1.56 1.67 0.88 0.94 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 95 T 9.00 4.33 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 1.27 0.00 0.00 96 E 8.87 4.02 0.00 2.05 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 2.42 2.39 0.00 97 K 8.14 4.10 0.00 1.85 2.01 0.00 1.75 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.55 7.81 98 G 8.29 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 99 Q 8.64 4.12 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 100 Q 8.26 4.06 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 101 C 8.42 4.07 0.00 3.25 3.25 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 0.00 102 F 8.46 4.38 0.00 3.12 3.38 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 0.00 103 V 8.28 3.84 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 1.06 0.00 0.00 1.15 0.00 0.00 104 S 8.14 4.22 0.00 4.09 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 0.00 105 M 7.91 3.94 0.00 1.38 1.99 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.99 0.00 106 S 7.68 4.13 0.00 3.98 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 0.00 107 G 7.95 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 0.00 108 D 8.06 4.38 0.00 2.75 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 0.00 109 M 8.16 4.31 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 110 E 8.61 4.15 0.00 2.24 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 2.37 2.47 0.00 111 K 8.05 4.36 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.53 7.81 112 N 8.37 4.28 0.00 2.73 2.19 0.00 0.00 7.02 6.86 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 0.00 113 Y 8.09 4.11 0.00 3.42 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 0.00 114 Q 8.66 4.06 0.00 2.27 2.19 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 2.43 2.68 0.00 115 R 8.14 3.93 0.00 1.98 2.05 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 116 I 7.27 3.19 1.88 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 0.19 -0.26 0.81 0.00 0.00 117 Q 8.40 4.04 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 118 E 8.04 3.93 0.00 1.99 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 2.36 2.47 0.00 119 R 7.81 4.13 0.00 1.94 2.00 0.00 3.41 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 120 F 8.43 4.81 0.00 2.82 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 0.00 121 G 8.38 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 0.00 122 E 9.05 3.95 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 123 E 7.96 3.91 0.00 2.07 1.93 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 2.29 2.58 0.00 124 K 7.82 3.97 0.00 1.37 0.88 0.00 1.36 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.28 7.81 125 L 8.32 4.34 0.00 2.13 1.78 1.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.65 4.03 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 0.00 127 Q 8.57 3.98 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 128 L 8.13 4.00 0.00 2.08 1.99 0.99 0.53 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 0.00 129 L 7.96 4.01 0.00 1.77 1.72 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.29 3.97 0.00 2.16 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 2.34 2.51 0.00 131 L 8.15 4.05 0.00 1.96 1.74 0.95 0.61 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 0.00 132 L 8.53 4.02 0.00 1.80 1.72 0.94 0.71 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 0.00 133 N 8.31 4.35 0.00 2.91 2.89 0.00 0.00 7.01 7.70 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 0.00 134 E 8.18 4.06 0.00 2.31 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 2.31 2.31 0.00 135 L 8.27 3.99 0.00 1.89 1.81 0.93 0.49 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 0.00 136 K 8.06 4.06 0.00 2.00 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.75 7.81 137 K 7.68 4.30 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 138 I 7.33 4.11 1.87 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 1.68 0.53 0.91 0.00 0.00 139 K 7.29 3.89 0.00 1.82 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 140 P 0.00 4.42 0.00 2.07 1.97 0.00 3.76 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 2.03 2.10 0.00