NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0987 8.0549 120.3918 62.5102 32.5380 175.1515 2 L 4.0652 8.3304 127.3827 52.4683 42.4938 175.8937 3 S 4.5607 9.0256 117.7820 57.5873 66.3859 174.8496 4 E 4.2904 8.7979 122.5159 59.4194 29.4854 178.9837 5 G 3.6523 8.1086 105.3355 47.9057 0.0000 175.3630 6 E 3.9262 8.1661 121.0805 58.9200 29.3943 179.4590 7 W 4.4256 8.1415 118.9561 60.0123 29.0278 178.6359 8 Q 4.1768 8.5927 118.2032 58.8724 27.9775 178.7225 9 L 4.0823 7.8854 119.8603 57.5790 41.6056 179.7384 10 V 3.7774 7.9653 118.2624 66.2407 31.6196 178.2672 11 L 4.2765 8.5808 118.9960 57.7992 41.1683 179.0282 12 H 4.3953 8.4349 118.3981 59.1801 30.1162 177.3662 13 V 3.7513 7.8259 121.1999 64.3299 31.4459 178.2264 14 W 3.8957 8.4904 128.8479 60.0226 30.2597 177.7724 15 A 4.0437 7.9295 120.2602 54.9085 18.0221 179.4480 16 K 3.9547 7.7873 117.2497 59.3291 32.1340 179.5585 17 V 2.7360 7.1117 117.9981 65.7530 31.0501 177.3764 18 E 3.9928 7.6063 115.4882 57.9007 29.2798 178.5184 19 A 4.2023 7.5570 121.1173 54.1958 19.8555 177.7255 20 D 4.7044 7.8540 115.7714 52.1668 43.1706 175.7403 21 V 3.5026 7.8796 123.8208 64.3128 31.7120 178.2597 22 A 4.0588 8.0133 120.9633 54.9658 18.3438 179.6739 23 G 3.7573 8.4079 105.5026 47.8006 0.0000 175.6557 24 H 4.1635 8.2525 118.6643 58.3778 28.6040 178.1127 25 G 3.7179 8.4095 107.8505 47.8621 0.0000 175.7361 26 Q 4.0053 8.1199 120.4448 58.8620 28.8111 178.4947 27 D 4.3262 7.9218 119.7211 57.4869 40.8612 179.1507 28 I 3.5376 7.8350 120.0486 64.3158 37.1030 178.6991 29 W 3.5002 8.1616 119.7485 59.3896 28.7195 178.8288 30 I 3.7607 7.9079 120.1237 64.2444 36.5017 178.3298 31 R 3.8103 7.9528 119.6177 59.1630 29.7638 178.3865 32 L 3.8192 7.7287 120.0188 58.3198 42.0233 179.0848 33 F 4.6259 8.0788 117.6319 60.2784 38.5149 177.7284 34 K 4.0935 7.9233 117.5498 59.1745 32.2324 179.1201 35 S 4.2694 8.0271 114.5504 60.3438 64.2529 174.5209 36 H 4.7268 8.2441 118.5016 51.7648 29.5547 171.6210 37 P 4.7089 0.0000 0.0000 64.7442 31.5163 177.4734 38 E 4.1172 8.2845 116.0917 59.6019 29.4004 179.1841 39 T 3.8547 8.0438 110.7000 64.4504 68.7471 176.2630 40 L 3.8979 8.1156 123.1383 57.8189 41.7929 178.5011 41 E 4.2000 8.0199 117.0201 58.4842 29.4529 178.5492 42 K 4.4639 8.0483 116.9004 56.7109 32.6452 176.7630 43 F 4.6030 8.1303 119.2059 55.5202 38.7630 176.1161 44 D 4.3223 8.4950 126.6527 56.8265 40.9009 178.2760 45 R 3.8911 7.6801 117.9204 57.6664 30.4448 176.4297 46 F 5.0702 7.5663 113.7022 56.6752 40.6348 176.4437 47 K 4.1400 8.3979 120.6129 58.8373 32.3623 177.6329 48 H 4.4398 8.1272 114.5673 57.2329 29.1820 175.6591 49 L 3.9904 7.3525 120.8904 55.2844 41.6125 176.9296 50 K 4.2895 9.2449 123.9191 57.5127 33.2847 176.9713 51 T 4.7537 7.3057 107.5184 58.8691 73.3453 174.2530 52 E 3.9427 8.6415 120.6207 59.1635 29.6057 178.3535 53 A 3.9867 7.9710 120.4477 55.3409 18.2634 179.3295 54 E 3.9363 7.7920 115.2195 59.7104 29.8414 179.1892 55 M 4.1620 8.0548 118.7630 58.3298 31.8412 178.7227 56 K 3.9200 8.3187 118.6308 59.3673 32.4882 178.1805 57 A 4.3652 7.9230 118.8442 52.5010 18.7320 177.2207 58 S 4.2381 7.5060 113.1274 57.5344 62.4933 174.3780 59 E 4.0022 8.8303 129.6393 59.3170 29.3616 178.2438 60 D 4.4330 8.1083 118.7228 57.2727 40.9624 178.2686 61 L 3.0292 7.9693 120.8918 57.4942 41.9660 178.8974 62 K 3.8412 7.9536 119.6756 59.4571 32.1602 178.9151 63 K 3.9683 8.1986 118.8067 59.6934 31.8797 178.7303 64 H 4.2495 8.5846 118.9187 59.2621 29.6863 177.4993 65 G 3.6837 8.1041 107.6287 47.7944 0.0000 175.8461 66 V 3.6414 7.8010 120.5321 66.0192 31.5531 178.2661 67 T 3.9135 8.0568 115.5114 66.5840 68.2876 176.7501 68 V 3.6831 8.1305 120.3356 66.2953 31.7197 178.1892 69 L 4.2962 8.3677 118.7625 58.0721 41.4320 179.7588 70 T 4.0862 8.3010 115.8026 66.4872 68.5063 176.6849 71 A 4.0288 8.1204 122.8423 55.0386 18.3383 179.4850 72 L 3.7371 8.2379 119.1246 58.0218 42.1072 179.3246 73 G 3.2615 8.5894 105.9000 47.6925 0.0000 175.4349 74 A 3.9831 7.8442 122.1294 54.8464 18.7727 179.5562 75 I 3.7779 7.4481 117.9367 64.5355 37.1835 178.6617 76 L 3.9663 7.8842 120.1271 57.7220 41.1914 179.7330 77 K 3.9289 7.8254 117.0543 58.6762 32.2340 178.8527 78 K 3.9433 7.7458 117.8443 56.1522 32.5620 176.6541 79 K 2.0000 8.2677 118.3152 56.3976 29.8465 174.9913 80 G 3.9947 7.8341 105.7425 45.9141 0.0000 173.9573 81 H 4.8247 7.5871 118.1191 54.7231 27.6405 175.4962 82 H 5.5096 7.1236 112.7398 54.8189 29.8439 175.9884 83 E 3.9826 8.3123 123.1586 60.4674 29.0681 178.9317 84 A 4.1371 7.9019 118.7138 55.2488 17.6727 179.1028 85 E 4.1113 8.1468 116.6598 59.4146 29.6551 179.3049 86 L 4.3684 8.2666 119.1382 57.3014 41.6704 179.0367 87 K 3.8714 7.8638 119.1466 59.3958 32.0831 177.3597 88 P 4.3290 0.0000 0.0000 65.6894 31.3187 178.2163 89 L 4.0337 7.5656 120.1729 58.0560 42.0861 178.8242 90 A 4.2116 8.5884 121.1486 55.1185 18.2256 179.4074 91 Q 3.9303 8.3034 118.3259 59.4173 29.1502 178.6699 92 S 4.0189 8.1861 115.3134 61.8786 62.9844 176.1096 93 H 4.2679 8.7110 119.4030 57.7627 28.2188 177.5846 94 A 2.8665 7.8740 122.1003 54.5375 18.7820 179.1708 95 T 3.8916 7.5810 112.6187 65.5182 68.9839 176.1506 96 K 4.0864 7.4592 119.7375 58.8531 32.9517 177.3315 97 H 4.2064 8.1159 115.6194 56.6947 29.3361 175.8112 98 K 3.1010 7.4777 116.7574 57.0019 28.5660 175.3522 99 I 4.3567 8.0764 118.6937 58.9057 38.3575 175.0493 100 P 4.4564 0.0000 0.0000 62.0423 32.0892 177.7520 101 I 3.7423 8.3383 121.4349 64.5260 36.9429 178.5367 102 K 3.9084 7.8271 121.3114 59.1551 31.9651 178.2488 103 Y 4.2294 7.9481 116.8538 60.8166 37.8129 178.0582 104 L 4.2347 7.9095 119.6190 57.5404 41.7858 179.1508 105 E 4.0174 8.2117 118.9939 59.2484 29.3674 179.2052 106 F 4.5915 7.7660 117.7518 60.8565 38.9482 177.6615 107 I 3.6165 8.0520 118.1008 63.9526 37.7051 178.0621 108 S 4.1432 8.1977 116.3648 61.5140 62.6196 176.2317 109 E 4.0044 8.4663 121.8295 59.1512 29.3720 178.7737 110 A 3.9415 7.9646 120.9230 55.0588 18.4230 179.6210 111 I 3.5957 8.0134 118.6814 64.7080 37.1511 178.7780 112 I 3.7922 7.8568 120.5560 64.5280 36.9113 177.9963 113 H 4.0864 8.4343 119.1908 59.2966 29.6549 177.5672 114 V 3.5405 7.9107 120.0266 65.9900 31.2864 178.0296 115 L 3.7567 7.8050 118.7932 57.7744 41.0278 178.9358 116 H 4.4115 8.0481 117.6622 59.2704 29.8828 177.1120 117 S 4.1107 7.7667 113.8511 61.5509 62.4176 175.9813 118 R 4.0372 7.9901 119.3171 57.5741 31.2327 176.5916 119 H 5.0618 8.2350 115.5670 53.9582 29.0928 173.2513 120 P 4.3183 0.0000 0.0000 65.5813 31.6807 178.3576 121 G 3.7975 8.0420 106.2701 47.4338 0.0000 173.7015 122 N 5.0606 8.3692 114.6832 52.8378 41.2085 174.4507 123 F 4.8927 8.0124 118.6236 56.5130 39.6877 174.3485 124 G 3.9005 7.6289 108.8318 43.9436 0.0000 171.8824 125 A 3.8785 8.4272 120.6861 55.4340 18.3092 179.7431 126 D 4.1890 7.9569 116.5298 57.4047 40.9143 178.7376 127 A 3.8895 7.7301 120.7588 55.1596 18.3623 179.3112 128 Q 2.9773 7.7094 118.3397 58.7450 28.9705 178.6463 129 G 3.4799 8.0471 106.6680 47.6388 0.0000 175.5453 130 A 3.8354 7.9960 123.3439 55.0191 18.3115 179.4306 131 M 4.0084 8.1927 116.8667 58.7265 32.3385 177.9004 132 N 4.2927 8.4669 117.5997 56.5607 39.1497 176.6778 133 K 3.8371 8.1401 120.8093 59.4418 32.2496 178.6262 134 A 3.8636 7.8430 120.9782 55.1622 18.2200 179.6805 135 L 4.1043 8.3092 117.8801 57.9079 41.6056 179.5721 136 E 3.9823 8.7214 119.1855 59.1266 29.2770 179.1037 137 L 3.9587 8.0796 120.5071 57.9913 42.1113 178.6714 138 F 4.1478 8.3150 120.5771 61.6406 39.3104 177.4018 139 R 3.4494 8.2603 117.7071 58.7057 29.7910 178.9816 140 K 3.8185 8.2787 119.8621 59.7403 32.2818 178.7078 141 D 4.3379 8.2073 119.2579 57.2429 40.6302 178.8992 142 I 3.3314 7.5811 120.4102 63.9803 36.9748 178.2087 143 A 3.7417 7.9789 121.7986 55.0829 18.2361 179.5141 144 A 3.9265 7.8968 119.2102 55.2108 18.4045 179.8351 145 K 3.9623 7.9914 118.1003 59.6715 32.1835 178.6089 146 Y 4.4688 8.3432 117.6342 61.0780 37.8305 178.5140 147 K 3.9163 8.2876 120.3885 59.8208 32.1002 178.7009 148 E 4.0601 7.9884 117.2151 59.0739 29.4662 178.5487 149 L 4.3855 7.9833 116.7105 54.9634 41.9879 177.7292 150 G 3.8948 7.8592 106.9829 45.4143 0.0000 172.2427 151 Y 4.7587 7.7958 120.5130 55.2038 40.1840 175.5762 152 Q 3.7418 8.5103 128.5753 57.2405 29.5364 176.0541 153 G 3.6484 5.4390 109.8263 45.6577 0.0000 173.0486 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 1 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.07 0.00 0.95 0.71 0.57 -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 3 S 9.03 4.56 0.00 4.03 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 4 E 8.80 4.29 0.00 2.20 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 0.00 2.43 2.51 0.00 5 G 8.11 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 6 E 8.17 3.93 0.00 1.90 1.71 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 2.21 2.25 0.00 7 W 8.14 4.43 0.00 3.55 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 8 Q 8.59 4.18 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.89 4.08 0.00 1.92 1.74 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.97 3.78 2.50 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 1.19 0.00 0.00 0.94 0.00 0.00 11 L 8.58 4.28 0.00 1.83 1.82 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.43 4.40 0.00 3.32 3.42 0.00 5.94 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 13 V 7.83 3.75 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 1.06 0.00 0.00 0.87 0.00 0.00 14 W 8.49 3.90 0.00 3.69 3.19 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 15 A 7.93 4.04 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.79 3.95 0.00 1.47 1.56 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 17 V 7.11 2.74 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 0.00 0.00 0.03 0.00 0.00 0.26 0.00 0.00 18 E 7.61 3.99 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 19 A 7.56 4.20 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 20 D 7.85 4.70 0.00 2.73 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 21 V 7.88 3.50 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 0.80 0.00 0.00 0.93 0.00 0.00 22 A 8.01 4.06 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 23 G 8.41 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.25 4.16 0.00 3.27 3.23 0.00 5.82 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 8.41 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 26 Q 8.12 4.01 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 27 D 7.92 4.33 0.00 2.87 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 28 I 7.84 3.54 1.84 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 0.75 0.49 0.00 0.00 29 W 8.16 3.50 0.00 3.25 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 30 I 7.91 3.76 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.92 0.00 0.00 31 R 7.95 3.81 0.00 1.94 2.02 0.00 3.01 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 32 L 7.73 3.82 0.00 1.45 1.33 0.96 0.56 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 33 F 8.08 4.63 0.00 3.11 2.98 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 34 K 7.92 4.09 0.00 1.77 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.62 7.81 35 S 8.03 4.27 0.00 3.69 3.52 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 36 H 8.24 4.73 0.00 2.86 2.80 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.71 0.00 2.16 2.14 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 38 E 8.28 4.12 0.00 2.33 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 0.00 2.27 2.56 0.00 39 T 8.04 3.85 4.52 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 0.83 0.00 0.00 40 L 8.12 3.90 0.00 1.42 1.78 -0.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.02 4.20 0.00 2.26 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 0.00 2.41 2.56 0.00 42 K 8.05 4.46 0.00 1.90 1.70 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.79 2.00 7.81 43 F 8.13 4.60 0.00 3.34 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 44 D 8.49 4.32 0.00 2.60 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 45 R 7.68 3.89 0.00 1.38 0.80 0.00 3.01 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.36 0.00 46 F 7.57 5.07 0.00 2.88 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 47 K 8.40 4.14 0.00 1.87 2.24 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.41 7.81 48 H 8.13 4.44 0.00 3.31 3.46 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.35 3.99 0.00 1.59 1.59 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.24 4.29 0.00 1.70 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.52 7.81 51 T 7.31 4.75 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 52 E 8.64 3.94 0.00 2.06 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 2.37 2.38 0.00 53 A 7.97 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.79 3.94 0.00 2.10 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 2.35 0.00 55 M 8.05 4.16 0.00 2.12 2.29 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 2.81 2.60 0.00 56 K 8.32 3.92 0.00 1.75 2.00 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 57 A 7.92 4.37 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.51 4.24 0.00 3.96 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 59 E 8.83 4.00 0.00 2.13 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 2.39 2.48 0.00 60 D 8.11 4.43 0.00 3.02 3.04 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 61 L 7.97 3.03 0.00 0.94 1.50 -0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.95 3.84 0.00 1.84 1.95 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.20 3.97 0.00 2.07 1.88 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.64 7.81 64 H 8.58 4.25 0.00 3.30 3.20 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 65 G 8.10 3.68 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 0.00 0.00 0.00 66 V 7.80 3.64 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 8.06 3.91 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 68 V 8.13 3.68 2.54 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 1.40 0.00 0.00 1.09 0.00 0.00 69 L 8.37 4.30 0.00 1.87 1.99 0.96 0.96 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 70 T 8.30 4.09 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 1.27 0.00 0.00 71 A 8.12 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.24 3.74 0.00 1.61 1.75 0.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.59 3.26 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 0.00 74 A 7.84 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.45 3.78 1.86 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 1.54 1.19 0.90 0.00 0.00 76 L 7.88 3.97 0.00 1.39 1.59 -0.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.83 3.93 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.56 7.81 78 K 7.75 3.94 0.00 1.91 1.76 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.76 7.81 79 K 8.27 2.00 0.00 1.22 0.74 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.42 1.03 7.81 80 G 7.83 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 81 H 7.59 4.82 0.00 3.19 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.12 5.51 0.00 3.35 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.31 3.98 0.00 2.09 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 0.00 2.42 2.47 0.00 84 A 7.90 4.14 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 8.15 4.11 0.00 2.25 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 2.47 0.00 86 L 8.27 4.37 0.00 1.72 1.69 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.86 3.87 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.72 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.93 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 2.26 2.06 0.00 89 L 7.57 4.03 0.00 2.04 1.92 1.04 1.18 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 90 A 8.59 4.21 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 3.93 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.19 4.02 0.00 4.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.71 4.27 0.00 3.63 3.68 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 7.87 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.58 3.89 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 1.12 0.00 0.00 96 K 7.46 4.09 0.00 1.55 1.68 0.00 1.69 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.35 7.81 97 H 8.12 4.21 0.00 3.04 3.18 0.00 5.86 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 7.48 3.10 0.00 1.78 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.06 1.21 7.81 99 I 8.08 4.36 2.18 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 1.42 1.07 1.23 0.00 0.00 100 P 0.00 4.46 0.00 1.81 1.76 0.00 2.89 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 1.39 1.92 0.00 101 I 8.34 3.74 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.84 0.00 0.00 102 K 7.83 3.91 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.85 1.16 7.81 103 Y 7.95 4.23 0.00 3.28 3.12 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 0.00 104 L 7.91 4.23 0.00 1.89 1.84 0.81 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.21 4.02 0.00 2.03 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 2.46 0.00 106 F 7.77 4.59 0.00 3.21 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 0.00 107 I 8.05 3.62 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.98 0.00 0.00 108 S 8.20 4.14 0.00 4.18 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.47 4.00 0.00 2.15 2.27 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 2.35 2.39 0.00 110 A 7.96 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 0.00 111 I 8.01 3.60 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 1.01 0.00 0.00 112 I 7.86 3.79 2.10 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 1.71 0.88 1.13 0.00 0.00 113 H 8.43 4.09 0.00 3.34 3.43 0.00 5.59 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 7.91 3.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 115 L 7.81 3.76 0.00 0.47 0.54 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.05 4.41 0.00 3.46 3.58 0.00 5.75 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 0.00 117 S 7.77 4.11 0.00 3.90 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 R 7.99 4.04 0.00 1.56 1.59 0.00 3.17 0.00 0.00 2.98 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 119 H 8.23 5.06 0.00 3.19 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.32 0.00 2.17 2.15 0.00 3.84 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 1.98 1.94 0.00 121 G 8.04 3.80 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 0.00 0.00 0.00 122 N 8.37 5.06 0.00 2.67 2.76 0.00 0.00 6.63 7.00 0.00 0.00 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 8.01 4.89 0.00 2.97 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 0.00 124 G 7.63 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 8.43 3.88 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 7.96 4.19 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 7.73 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.71 2.98 0.00 1.17 1.87 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 2.23 2.30 0.00 129 G 8.05 3.48 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 0.00 130 A 8.00 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.19 4.01 0.00 2.51 2.41 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.47 4.29 0.00 2.92 2.93 0.00 0.00 6.86 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 0.00 133 K 8.14 3.84 0.00 1.91 1.72 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.36 7.81 134 A 7.84 3.86 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 0.00 135 L 8.31 4.10 0.00 1.73 1.81 0.97 0.91 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 0.00 136 E 8.72 3.98 0.00 2.11 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 2.66 0.00 137 L 8.08 3.96 0.00 1.89 1.99 1.03 0.91 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 0.00 138 F 8.31 4.15 0.00 3.13 3.27 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 0.00 139 R 8.26 3.45 0.00 1.84 1.84 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 140 K 8.28 3.82 0.00 1.82 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.21 4.34 0.00 2.74 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 7.58 3.33 1.33 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 -0.08 0.00 0.00 143 A 7.98 3.74 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 0.00 144 A 7.90 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.99 3.96 0.00 1.98 1.93 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.34 4.47 0.00 3.24 3.14 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 0.00 147 K 8.29 3.92 0.00 1.95 2.06 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 7.99 4.06 0.00 2.22 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 0.00 2.36 2.49 0.00 149 L 7.98 4.39 0.00 1.84 1.74 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 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 0.00 0.00 0.00 151 Y 7.80 4.76 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.51 3.74 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 153 G 5.44 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