NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2048 8.0249 121.4644 61.1567 38.1959 174.8600 3 I 4.1403 8.4468 127.5263 60.1627 38.4210 173.6478 4 E 4.9649 9.3637 121.9167 56.0563 33.1101 175.8680 5 R 4.8624 7.5352 114.4421 54.5745 34.2125 174.1785 6 L 4.4834 8.2760 120.9505 54.2881 42.8717 177.6441 7 V 3.9941 7.8440 125.3422 62.6759 32.4443 176.7965 8 G 3.9868 8.5425 110.9702 45.7350 0.0000 172.5902 9 N 5.3682 8.6227 120.1003 51.4887 42.2504 175.1917 10 L 3.8057 8.4352 125.2226 58.0323 42.1036 179.0519 11 R 4.0642 8.5937 114.9354 59.3648 29.3553 178.1397 12 D 4.4624 7.8777 121.6383 55.3791 36.8262 176.9207 13 L 3.2617 7.4473 122.3585 54.3913 41.6401 174.2353 14 N 4.4112 8.6854 123.5628 52.6151 34.5212 172.2258 15 P 4.5449 0.0000 0.0000 62.1182 32.4157 177.2681 16 L 3.9224 9.2137 111.9777 56.5275 38.3804 172.1831 17 D 4.9844 8.7228 124.5884 53.6631 40.5293 174.4661 18 F 4.7626 7.9695 114.0546 56.0453 41.8727 174.6172 19 S 4.7730 8.9856 114.7521 57.3418 64.0285 172.9481 20 V 4.4878 8.2504 125.1807 61.1303 34.2841 173.6676 21 D 4.8615 9.1485 128.0228 53.0438 43.2888 175.1450 22 H 5.1702 8.6851 122.3391 54.5065 32.0717 174.1197 23 V 4.2479 8.5570 120.1598 61.3400 33.7085 174.5745 24 D 4.7536 8.6731 129.2831 53.4901 41.2943 175.8766 25 L 4.7440 8.4974 124.4286 52.4571 44.2886 176.9638 26 E 4.1619 8.6842 122.7775 55.4068 30.0945 177.9985 27 W 4.3521 8.6954 118.7196 59.7945 27.9668 177.5393 28 F 4.2291 5.7556 111.9917 56.4586 36.7026 175.5592 29 E 4.7534 7.8611 116.7605 57.0997 32.8306 177.3626 30 T 3.7732 7.9971 109.4485 63.5688 69.1760 175.8885 31 R 4.4309 7.8780 119.4132 56.5393 31.1364 176.2384 32 K 4.2261 6.9674 116.4220 54.7176 32.4423 175.2270 33 K 4.5025 8.8820 120.2532 57.7753 35.3122 175.9127 34 I 4.8911 7.6666 118.9214 59.9388 38.4478 175.1071 35 A 4.4225 8.5083 126.2101 50.8905 22.8936 174.8705 36 R 4.8026 8.0026 119.8317 54.6164 33.3427 175.0128 37 F 5.0040 8.8249 121.9698 55.8884 43.9099 173.2366 38 K 4.9235 8.7933 124.5975 55.4084 33.1521 176.7179 39 T 4.2997 8.8286 118.7872 60.6533 70.3340 174.3704 40 R 4.0049 8.3763 120.7765 59.3872 30.4146 177.4529 41 Q 4.4483 8.3329 117.4701 55.6419 28.9412 178.3531 42 G 4.0992 8.1419 109.7079 46.3881 0.0000 174.5897 43 K 3.9547 7.4627 118.5737 56.7588 33.5282 175.3037 44 D 5.4408 8.2661 120.4954 52.9727 43.9345 175.4055 45 I 4.4263 8.3186 122.0459 60.2539 42.0804 173.2227 46 A 5.3999 8.8041 130.6700 50.2022 22.9474 174.7013 47 I 5.0405 8.6791 111.8780 59.7437 41.6469 175.3581 48 R 4.6276 9.0574 123.6150 56.5880 33.3080 173.2320 49 L 5.5270 8.3195 123.2057 52.0686 44.0719 176.1453 50 K 4.4616 8.6541 121.4539 55.0253 34.3009 175.8186 51 D 4.2570 8.6136 120.2596 54.8802 38.4653 174.7804 52 A 3.9407 7.8487 120.0841 51.6504 19.2949 175.7192 53 P 4.1845 0.0000 0.0000 62.7770 30.8983 176.5663 54 K 3.9178 8.6629 123.9990 58.8762 32.5969 179.5253 55 L 3.7258 6.7888 121.0863 57.8700 41.9604 177.3842 56 G 4.3411 6.7117 103.7701 43.6567 0.0000 172.3073 57 L 4.3138 7.5588 120.2623 54.4847 42.1520 176.5182 58 S 4.8714 9.2308 116.6720 56.0722 66.7586 173.8926 59 Q 3.8526 9.5557 123.1379 57.8667 29.0385 176.3644 60 G 3.8511 9.2691 114.3618 46.7671 0.0000 172.3864 61 D 5.0816 7.9107 119.4331 53.2786 42.5464 176.0520 62 I 4.4697 8.3218 124.8025 61.3110 37.5640 176.6473 63 L 4.3391 8.9803 127.8441 56.2346 43.1585 177.2055 64 F 4.5319 7.8484 120.4320 57.1540 42.4608 172.6818 65 K 5.1434 8.4963 127.4522 54.7249 35.0804 175.3777 66 E 4.4443 10.1112 129.1412 55.8423 32.5925 176.1600 67 E 3.8048 8.7209 129.8742 57.7560 28.2490 175.7505 68 K 4.6814 9.0351 128.4598 57.4749 33.1780 174.6940 69 E 5.0839 8.2566 121.7534 55.4600 31.7601 174.4785 70 I 5.1086 8.0210 123.1365 60.1878 42.3984 173.1168 71 I 5.7227 9.5963 127.3656 58.5972 40.5065 174.5804 72 A 5.1343 8.4142 127.0842 49.9369 23.2344 174.6690 73 V 4.0758 8.6909 119.8676 62.3283 32.7924 174.6186 74 N 5.1193 8.6426 126.4470 51.9966 41.7581 173.5675 75 I 4.8386 8.2425 124.7334 59.1610 39.1565 175.6292 76 L 4.1108 8.7183 128.6452 54.6363 41.9836 177.4977 77 D 4.7749 8.7885 123.5961 54.6779 41.7061 175.6018 78 S 4.9151 9.0458 116.2960 56.0187 67.3777 172.9311 79 E 4.4007 8.5957 119.9446 56.6073 30.5892 176.5341 80 V 4.5762 8.1569 123.3874 61.7106 35.8052 173.2240 81 I 4.4937 8.8374 129.8179 60.8402 38.0633 175.0747 82 H 4.9953 9.3387 125.6766 55.6062 30.2927 174.8870 83 I 5.0564 9.0630 121.9431 59.7784 41.3956 174.2690 84 Q 5.0314 9.4754 128.2831 54.1850 29.8469 173.9843 85 A 4.5605 9.0553 128.5262 51.1666 18.8600 177.2695 86 K 3.9278 10.7800 124.0464 59.2637 32.9991 177.9841 87 S 4.6397 7.5513 114.5646 54.9461 66.9787 174.4327 88 V 3.7723 8.5986 122.1399 66.5659 31.0959 178.1600 89 A 4.0382 8.0067 119.6286 55.3350 18.4828 178.9689 90 E 3.9386 8.4183 117.5073 59.4209 29.4316 179.1521 91 V 3.5421 8.2397 118.4853 65.6900 31.6511 177.3694 92 A 3.9553 7.7988 120.2588 55.3478 18.1266 179.3250 93 K 3.8663 8.1177 117.5747 59.7583 32.2357 178.5659 94 I 3.6605 7.5385 119.3913 64.8805 37.1467 178.0497 95 C 3.9725 8.2513 117.2606 62.8942 27.9590 175.4826 96 Y 4.0606 8.0870 120.9766 60.7612 38.1540 177.3577 97 E 3.7278 8.1451 118.8547 59.6523 29.9454 178.6753 98 I 3.8587 8.1113 119.7154 64.9140 36.8959 177.9002 99 G 3.6613 8.5104 105.6101 48.2523 0.0000 174.6823 100 N 3.8369 8.5377 120.9452 56.1172 39.1866 176.9719 101 R 3.9019 7.5652 118.8318 57.5432 30.1791 176.9332 102 H 4.1950 8.9390 114.2954 55.5938 26.7729 174.6700 103 A 4.1848 7.6608 121.8218 52.0255 18.8576 177.3228 104 A 4.5084 8.2175 122.0869 51.6172 20.2632 177.0461 105 L 4.6556 7.7640 121.0551 54.1120 45.6956 174.0788 106 Y 5.0986 9.3046 123.9104 55.8746 41.7127 174.8495 107 Y 4.3603 8.2139 120.7277 58.4570 38.7358 177.0014 108 G 3.8360 8.1395 114.5413 44.9045 0.0000 174.1321 109 E 4.0484 8.4703 114.5258 58.1650 29.9441 173.4434 110 S 4.6034 7.5967 110.2841 56.7652 65.7069 172.9855 111 Q 3.5692 8.7655 120.4190 59.4061 28.6325 179.0025 112 F 4.9925 8.1067 114.6670 57.4670 40.2160 174.1022 113 E 5.7548 7.5544 119.2142 54.1803 31.5781 175.1768 114 F 5.1077 8.5478 123.0309 56.2682 43.8603 173.2198 115 K 5.1506 9.6341 122.7501 55.0549 35.2378 175.1252 116 T 4.9829 8.6010 116.6128 59.5997 71.3002 171.3011 117 P 4.4060 0.0000 0.0000 62.6013 32.2580 175.8380 118 F 4.2514 8.3772 124.0798 58.5090 40.1547 174.3917 119 E 4.6177 7.8825 124.8242 53.2956 32.8520 175.4321 120 K 3.6186 8.8312 126.4400 59.1169 32.0069 176.8917 121 P 4.3622 0.0000 0.0000 65.3633 31.5000 178.4802 122 T 3.7827 7.5582 115.6785 66.5320 68.3228 175.4109 123 L 3.7173 7.8663 121.5185 59.1437 41.8816 178.9048 124 A 3.6448 8.3032 117.6406 55.1085 18.5989 178.9708 125 L 3.6920 8.5889 116.3718 58.5069 42.3505 179.6607 126 L 3.9860 8.4103 118.4881 58.0620 41.7057 179.7666 127 E 3.9207 8.4405 118.3874 59.4046 29.2184 178.6709 128 K 3.7648 7.9042 118.3469 60.0672 32.2707 178.2838 129 L 4.2064 7.8814 118.6245 55.8500 41.9040 175.9531 130 G 3.7230 7.8407 109.3963 45.8206 0.0000 172.8186 131 V 4.3526 8.2560 114.8613 59.3821 35.2866 176.1734 132 Q 4.3396 8.4334 122.7997 56.1269 29.2139 173.9988 133 N 5.9511 8.0099 123.2369 50.4261 41.1606 173.2233 134 R 4.4608 8.1166 113.9965 55.8893 33.3526 173.3335 135 V 4.9566 8.6231 119.1549 60.0363 33.1245 175.4340 136 L 4.6761 8.6772 124.8250 52.6978 46.0512 175.5248 137 S 4.6257 8.8554 119.2937 59.4829 62.8890 173.0230 138 S 4.5243 8.8490 123.3759 58.1826 67.2756 173.2651 139 K 4.5956 8.7608 121.2664 55.1487 33.5058 176.9089 140 L 4.1244 7.9103 127.0810 52.2394 41.4020 174.8567 141 D 4.4728 8.1125 123.2189 53.7121 42.2170 177.5892 142 S 4.6570 8.9109 120.9658 61.0619 63.2213 176.2720 143 K 4.0630 8.2593 119.3104 59.2655 32.2975 176.9801 144 E 4.5934 8.7310 118.5666 56.3352 29.8967 175.7566 145 R 3.7202 7.6742 119.7461 55.7515 31.3450 175.7076 146 L 4.4037 7.3911 122.8298 53.2909 42.9495 176.3201 147 T 3.6173 8.3417 117.8714 61.4830 67.8588 173.5343 148 V 3.7412 8.5680 127.4309 63.5113 31.4060 175.3649 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 I 8.02 4.20 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 1.44 1.09 0.94 0.00 0.00 3 I 8.45 4.14 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 1.04 0.00 0.00 4 E 9.36 4.96 0.00 1.94 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 2.19 0.00 5 R 7.54 4.86 0.00 1.73 1.77 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 6 L 8.28 4.48 0.00 1.63 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.84 3.99 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 0.70 0.00 0.00 0.87 0.00 0.00 8 G 8.54 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 0.00 0.00 0.00 9 N 8.62 5.37 0.00 2.52 2.77 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 3.81 0.00 1.66 1.70 0.94 0.56 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 11 R 8.59 4.06 0.00 1.89 2.25 0.00 3.06 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 12 D 7.88 4.46 0.00 2.90 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 13 L 7.45 3.26 0.00 1.75 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.69 4.41 0.00 3.06 2.82 0.00 0.00 6.95 8.02 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 15 P 0.00 4.54 0.00 2.22 2.20 0.00 4.25 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 2.21 2.03 0.00 16 L 9.21 3.92 0.00 1.82 1.94 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.72 4.98 0.00 2.85 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 18 F 7.97 4.76 0.00 2.92 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.99 4.77 0.00 3.91 3.97 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 0.00 0.00 0.00 20 V 8.25 4.49 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 0.52 0.00 0.00 0.93 0.00 0.00 21 D 9.15 4.86 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.69 5.17 0.00 3.16 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.56 4.25 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 0.54 0.00 0.00 0.90 0.00 0.00 24 D 8.67 4.75 0.00 2.57 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 25 L 8.50 4.74 0.00 1.59 1.44 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.68 4.16 0.00 1.16 1.12 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 2.17 2.02 0.00 27 W 8.70 4.35 0.00 3.53 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 5.76 4.23 0.00 2.53 1.69 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 29 E 7.86 4.75 0.00 2.12 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 2.37 0.00 30 T 8.00 3.77 4.53 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 1.26 0.00 0.00 31 R 7.88 4.43 0.00 1.83 2.05 0.00 3.51 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 32 K 6.97 4.23 0.00 1.81 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 33 K 8.88 4.50 0.00 1.68 1.80 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.67 7.81 34 I 7.67 4.89 1.86 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 1.27 0.41 0.89 0.00 0.00 35 A 8.51 4.42 0.99 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 0.00 0.00 36 R 8.00 4.80 0.00 1.69 1.62 0.00 3.16 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 37 F 8.82 5.00 0.00 3.24 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 38 K 8.79 4.92 0.00 1.80 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 39 T 8.83 4.30 4.36 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 1.19 0.00 0.00 40 R 8.38 4.00 0.00 2.17 2.00 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 41 Q 8.33 4.45 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.54 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 42 G 8.14 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 43 K 7.46 3.95 0.00 1.84 1.72 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.37 7.81 44 D 8.27 5.44 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.43 1.89 0.00 0.00 0.79 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 0.89 1.02 0.00 0.00 46 A 8.80 5.40 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 47 I 8.68 5.04 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 1.08 0.00 0.00 48 R 9.06 4.63 0.00 1.76 1.88 0.00 3.11 0.00 0.00 3.28 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 49 L 8.32 5.53 0.00 1.53 1.58 0.97 1.00 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 50 K 8.65 4.46 0.00 1.63 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 51 D 8.61 4.26 0.00 2.76 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 52 A 7.85 3.94 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 53 P 0.00 4.18 0.00 2.40 2.06 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 54 K 8.66 3.92 0.00 1.74 1.80 0.00 1.68 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 55 L 6.79 3.73 0.00 1.80 1.77 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 56 G 6.71 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.56 4.31 0.00 1.70 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.23 4.87 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.56 3.85 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 60 G 9.27 3.85 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 0.00 0.00 0.00 61 D 7.91 5.08 0.00 2.63 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 62 I 8.32 4.47 1.99 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 1.13 0.48 0.93 0.00 0.00 63 L 8.98 4.34 0.00 1.54 1.79 0.85 0.70 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 64 F 7.85 4.53 0.00 3.15 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 65 K 8.50 5.14 0.00 1.73 1.57 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.39 7.81 66 E 10.11 4.44 0.00 2.15 2.14 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 2.40 2.44 0.00 67 E 8.72 3.80 0.00 2.22 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 68 K 9.04 4.68 0.00 1.81 1.98 0.00 1.42 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 E 8.26 5.08 0.00 2.28 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 2.23 2.28 0.00 70 I 8.02 5.11 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.24 0.86 0.00 0.00 71 I 9.60 5.72 1.90 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 1.00 0.85 0.88 0.00 0.00 72 A 8.41 5.13 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 73 V 8.69 4.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.86 0.00 0.00 74 N 8.64 5.12 0.00 2.80 2.93 0.00 0.00 6.59 7.81 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 75 I 8.24 4.84 1.98 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 1.19 0.77 0.91 0.00 0.00 76 L 8.72 4.11 0.00 1.44 1.60 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.79 4.77 0.00 2.54 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 78 S 9.05 4.92 0.00 3.69 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.60 4.40 0.00 1.94 1.88 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 2.31 1.96 0.00 80 V 8.16 4.58 2.28 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 0.73 0.00 0.00 0.84 0.00 0.00 81 I 8.84 4.49 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 1.00 0.00 0.00 82 H 9.34 5.00 0.00 3.15 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.06 5.06 2.18 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 1.17 0.91 1.03 0.00 0.00 84 Q 9.48 5.03 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 85 A 9.06 4.56 1.46 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 86 K 10.78 3.93 0.00 1.81 1.92 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.74 1.34 7.81 87 S 7.55 4.64 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.60 3.77 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 1.13 0.00 0.00 1.19 0.00 0.00 89 A 8.01 4.04 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 90 E 8.42 3.94 0.00 2.06 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 0.00 2.34 2.35 0.00 91 V 8.24 3.54 2.35 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 0.93 0.00 0.00 1.32 0.00 0.00 92 A 7.80 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 93 K 8.12 3.87 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 94 I 7.54 3.66 1.95 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 0.56 0.82 0.00 0.00 95 C 8.25 3.97 0.00 2.84 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 96 Y 8.09 4.06 0.00 2.95 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 97 E 8.15 3.73 0.00 2.16 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 2.31 2.36 0.00 98 I 8.11 3.86 2.00 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 0.68 0.85 0.00 0.00 99 G 8.51 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 0.00 100 N 8.54 3.84 0.00 2.22 2.72 0.00 0.00 7.34 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 0.00 101 R 7.57 3.90 0.00 1.87 2.00 0.00 3.37 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 102 H 8.94 4.19 0.00 3.19 3.49 0.00 5.72 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 0.00 103 A 7.66 4.18 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 0.00 104 A 8.22 4.51 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.76 4.66 0.00 1.66 1.33 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 9.30 5.10 0.00 2.89 2.77 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 0.00 107 Y 8.21 4.36 0.00 2.90 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 0.00 108 G 8.14 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 0.00 0.00 0.00 109 E 8.47 4.05 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 110 S 7.60 4.60 0.00 3.75 3.70 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 0.00 111 Q 8.77 3.57 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.32 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 112 F 8.11 4.99 0.00 3.19 3.29 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 0.00 113 E 7.55 5.75 0.00 1.96 1.79 0.00 0.00 0.00 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 2.24 0.00 114 F 8.55 5.11 0.00 3.11 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 0.00 115 K 9.63 5.15 0.00 1.46 1.41 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.54 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.31 7.81 116 T 8.60 4.98 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 1.27 0.00 0.00 117 P 0.00 4.41 0.00 1.95 1.87 0.00 3.67 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.87 0.00 118 F 8.38 4.25 0.00 3.06 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 0.00 119 E 7.88 4.62 0.00 1.99 1.61 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 2.29 2.38 0.00 120 K 8.83 3.62 0.00 1.95 1.86 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 121 P 0.00 4.36 0.00 2.26 2.25 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 122 T 7.56 3.78 4.19 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 1.14 0.00 0.00 123 L 7.87 3.72 0.00 1.63 1.64 0.94 0.90 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 0.00 124 A 8.30 3.64 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 0.00 125 L 8.59 3.69 0.00 1.82 1.76 0.89 0.95 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 0.00 126 L 8.41 3.99 0.00 1.89 1.72 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.44 3.92 0.00 2.16 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 2.36 0.00 128 K 7.90 3.76 0.00 1.74 2.08 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 129 L 7.88 4.21 0.00 1.85 1.79 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.84 3.72 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 0.00 0.00 0.00 131 V 8.26 4.35 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 0.76 0.00 0.00 1.00 0.00 0.00 132 Q 8.43 4.34 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 133 N 8.01 5.95 0.00 2.84 2.82 0.00 0.00 6.18 7.66 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 0.00 134 R 8.12 4.46 0.00 1.88 1.75 0.00 3.17 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 135 V 8.62 4.96 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 1.15 0.00 0.00 1.10 0.00 0.00 136 L 8.68 4.68 0.00 1.51 1.44 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.86 4.63 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.85 4.52 0.00 3.82 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 0.00 139 K 8.76 4.60 0.00 1.78 1.66 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.25 1.36 7.81 140 L 7.91 4.12 0.00 0.96 0.22 -0.24 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.11 4.47 0.00 2.68 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 0.00 142 S 8.91 4.66 0.00 4.30 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.26 4.06 0.00 1.94 2.06 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.56 7.81 144 E 8.73 4.59 0.00 2.43 2.33 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 2.36 2.61 0.00 145 R 7.67 3.72 0.00 1.95 1.68 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.00 146 L 7.39 4.40 0.00 1.46 1.43 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.34 3.62 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 0.00 148 V 8.57 3.74 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 0.82 0.00 0.00 0.94 0.00 0.00