NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4069 8.3049 120.3490 55.4528 33.2127 174.7064 2 S 4.4888 8.4132 122.3886 55.9009 64.5660 172.5043 3 S 4.2410 9.3013 118.9574 58.7548 63.7135 175.2232 4 Q 3.9496 8.6767 124.0435 59.2255 28.5322 178.1802 5 I 3.8830 7.5801 108.1028 62.0402 38.0267 176.1463 6 R 4.2691 7.1687 121.8496 56.1845 30.3504 175.6661 7 Q 4.2292 8.8197 122.9113 56.4781 31.5254 173.3368 8 N 4.1881 9.0317 122.2435 54.3159 37.7199 172.9832 9 Y 4.7288 7.4465 117.7245 56.1291 38.3941 174.9168 10 S 4.2548 8.0371 123.4229 58.1070 65.5041 175.1206 11 T 4.0362 8.1952 115.7375 64.2264 68.2452 176.6426 12 D 4.2060 7.7402 120.9136 57.1658 41.2243 178.1559 13 V 3.5787 7.1650 118.6779 65.9597 31.6264 177.2325 14 E 3.9276 7.6975 120.0259 58.7369 28.9458 178.8429 15 A 4.1235 7.8524 119.1105 54.3447 18.5790 179.1452 16 A 4.0381 8.1478 119.8622 54.4702 18.4975 180.0434 17 V 3.5496 7.5868 116.7382 66.2836 31.7030 177.7281 18 N 4.0220 7.9248 115.7146 56.3947 38.2796 177.2501 19 S 4.1513 7.8165 114.0001 60.8702 62.4171 175.9456 20 L 4.0222 7.7584 122.8044 57.9679 41.7850 178.8469 21 V 3.7620 8.5748 118.8917 66.4262 31.4875 177.6127 22 N 4.3336 8.0002 116.5642 56.5303 38.7733 176.5586 23 L 4.0480 8.0400 122.0439 58.1360 42.1605 178.5885 24 Y 3.9237 8.5703 117.2710 60.8334 37.8015 177.9539 25 L 4.1379 8.4073 120.2342 58.1429 41.5885 179.5042 26 Q 4.0668 8.3835 118.9792 58.9661 28.8939 178.2035 27 A 3.8700 7.8605 121.6403 54.8351 18.5044 179.4635 28 S 4.2687 8.7967 112.1091 61.9566 62.6708 175.8138 29 Y 4.4512 8.5479 122.4573 61.0316 38.4538 178.3307 30 T 3.8604 7.6529 116.7426 66.8963 68.5763 176.4516 31 Y 4.1609 7.8926 118.5546 60.6246 37.7631 178.4382 32 L 4.1364 8.1791 121.5718 58.3959 42.4142 178.9523 33 S 4.3492 8.1126 112.5161 61.4936 62.1688 176.0651 34 L 3.4064 7.8037 121.7527 57.3927 40.9518 179.6161 35 G 3.8507 8.3808 104.9044 48.1439 0.0000 175.6510 36 F 4.2963 8.4905 120.4474 59.0696 39.0047 177.2822 37 Y 4.1932 8.0253 119.7380 60.6808 38.7004 177.0443 38 F 4.2965 8.1758 116.6821 58.6113 38.9537 176.0411 39 D 4.6169 7.4857 116.3601 53.7721 42.0052 176.4965 40 R 4.0947 7.2725 118.8796 56.6074 30.5892 177.5097 41 D 4.5991 8.7049 121.1683 55.7810 39.4709 176.8017 42 D 4.6017 7.9450 117.2744 53.6653 40.3795 176.7664 43 V 3.8375 7.6439 118.1031 64.7067 32.9582 175.4836 44 A 3.8215 8.0725 119.0751 53.1404 15.9061 177.1211 45 L 4.7120 8.4922 119.8047 50.8699 43.4810 177.1833 46 E 4.0032 8.6053 123.8166 58.9369 29.9336 178.2029 47 G 3.4958 7.9203 105.3245 47.6913 0.0000 175.7737 48 V 3.1329 7.4004 120.3911 65.5426 31.7154 177.7702 49 S 4.2331 8.1762 113.1476 61.7587 62.1781 175.6989 50 H 4.1327 8.3982 120.9964 59.0018 29.4867 176.8868 51 F 4.0485 7.8352 122.0854 61.5078 39.0883 177.2286 52 F 4.0706 7.7901 117.1736 60.5104 38.5297 177.9880 53 R 3.9401 7.9265 117.3766 58.9509 29.7390 179.0212 54 E 3.8487 7.8184 118.7271 59.0964 29.3540 179.1732 55 L 3.6121 7.1193 118.5859 57.6721 41.4702 179.2282 56 A 4.1708 7.9690 120.7889 55.4776 18.2037 179.2441 57 E 3.9791 7.8548 117.5528 59.1436 29.6022 178.7365 58 E 3.9742 8.1944 118.7912 59.0214 29.4440 179.3372 59 K 4.3421 8.4270 119.0152 59.2061 32.2303 179.3323 60 R 2.5293 7.6707 118.8596 59.0327 30.0941 178.4932 61 E 3.9868 8.1219 118.3685 59.0532 29.3355 179.1255 62 G 3.3651 7.5299 106.8449 47.7062 0.0000 175.3503 63 Y 4.3456 8.1369 120.7883 59.4060 37.9699 178.4772 64 E 4.1405 7.9836 120.6883 59.2108 29.5065 179.1026 65 R 4.0856 7.9365 118.6580 59.0905 30.1081 178.3457 66 L 4.1714 8.3078 118.9720 58.0652 41.6125 179.3704 67 L 4.1185 8.3960 118.8973 57.7669 41.4795 179.8185 68 K 3.9760 7.9488 119.2116 59.5861 32.0995 178.6216 69 M 3.8671 8.0850 118.5054 58.6009 32.1443 177.5580 70 Q 3.7582 8.2535 120.1850 59.7299 28.8392 178.7884 71 N 4.3943 7.9254 116.8782 56.1036 38.3133 177.5223 72 Q 3.8226 7.4691 118.7050 58.6704 29.0541 178.2772 73 R 3.8396 7.9425 119.2353 56.9635 29.8240 178.0407 74 G 4.0609 7.2449 104.8735 44.9359 0.0000 174.1169 75 G 4.5545 7.4467 107.9840 44.7807 0.0000 173.2803 76 R 4.5439 8.3294 117.9788 53.7699 32.4675 176.3204 77 A 4.4854 8.3012 125.0289 51.4142 19.1312 176.7507 78 L 4.5389 7.7823 120.1267 53.1074 45.1636 176.0743 79 F 4.8930 8.7411 122.0545 55.8574 41.1350 174.6213 80 Q 4.7167 8.2605 121.0094 53.5798 32.5067 174.5154 81 D 4.5298 8.5769 118.8274 54.9936 41.1965 176.5503 82 I 4.5199 7.9525 120.3219 59.2102 39.1476 176.1389 83 K 4.1444 8.6711 125.8553 55.7107 32.5282 177.4193 84 K 3.6815 8.3720 122.0969 55.8420 32.5312 174.9059 85 P 4.3078 0.0000 0.0000 62.4639 31.7899 177.6891 86 A 4.0119 8.4920 122.8251 54.3745 18.4879 177.1742 87 E 4.3197 6.6417 113.8903 54.6365 33.3172 174.9199 88 D 4.6603 8.0443 118.1447 54.8305 42.8121 176.9827 89 E 4.5080 7.3442 115.7615 54.2429 32.5493 175.4024 90 W 4.4884 6.2518 120.3773 55.9870 31.1167 177.7828 91 G 3.7382 7.4780 111.4230 47.0470 0.0000 177.3250 92 K 4.7625 8.6508 125.6834 54.3840 35.1674 176.5732 93 T 4.1835 8.7084 116.2853 66.9102 68.1918 174.6582 94 P 4.3349 0.0000 0.0000 65.8667 31.3260 178.2119 95 D 4.4453 8.3298 116.6784 57.5372 40.7472 178.7257 96 A 4.1817 8.3911 121.1322 55.5127 18.4870 179.3536 97 M 4.2917 8.8197 117.1890 58.6289 32.1847 178.7019 98 K 4.0233 8.4830 118.7944 59.5648 32.3681 179.0677 99 A 4.0484 8.4334 120.9740 55.2469 18.2371 179.5965 100 A 3.9896 8.4618 119.5050 55.3806 18.4501 179.4550 101 M 4.0170 8.2636 116.5274 58.8021 32.2756 178.0923 102 A 3.9967 8.2219 121.0020 55.3478 18.5816 179.2640 103 L 3.8484 7.9837 118.5970 58.4370 42.0001 179.1368 104 E 4.0623 8.2676 118.5183 59.1501 29.4842 179.3214 105 K 3.9997 8.3354 118.7986 59.2526 32.1326 179.2025 106 K 3.9068 8.3554 120.1892 59.6944 32.1517 178.9059 107 L 3.9968 7.8761 119.1074 57.5630 41.4119 179.0266 108 N 4.3982 8.5505 117.7393 56.4781 38.8136 176.7289 109 Q 3.9248 8.6643 121.1598 59.3321 29.2328 178.1157 110 A 3.9925 8.0484 121.6387 55.1950 18.2858 179.7044 111 L 3.9615 7.9714 117.5236 57.9659 41.6634 179.6451 112 L 4.0587 8.1720 119.0635 57.8448 41.4858 179.3097 113 D 4.3509 8.4063 119.1164 57.3914 40.8907 178.6757 114 L 3.9538 7.9703 120.7781 58.2579 42.0456 178.4884 115 H 4.2387 8.3250 118.3182 58.7993 29.7611 177.1539 116 A 3.9572 8.2835 123.1432 55.1576 18.3136 179.4421 117 L 4.0474 8.2366 119.0106 58.0554 41.9892 179.4123 118 G 3.6016 7.8817 105.5143 47.4264 0.0000 176.0756 119 S 4.0900 7.8966 117.1500 61.3709 62.6931 176.2529 120 A 4.0160 7.6268 121.8775 55.4920 18.2357 179.3487 121 R 4.1014 7.6674 112.3432 55.5978 31.0972 176.8215 122 T 3.3652 7.6583 108.4198 63.0370 67.5603 173.6580 123 D 4.7890 8.6404 121.6710 52.4666 41.7659 174.3300 124 P 4.3014 0.0000 0.0000 65.7932 31.5251 177.7676 125 H 4.1099 8.2362 117.6101 59.0662 29.9175 176.8468 126 L 4.1844 8.0413 121.5200 58.3332 41.8626 178.5830 127 C 4.3252 7.8651 116.6422 62.5112 28.1202 175.4439 128 D 4.3156 8.6971 120.0793 57.2841 40.9237 177.8524 129 F 4.0606 8.7362 121.4435 61.6096 39.3662 177.1871 130 L 4.2531 8.1360 117.9407 57.6535 41.4045 179.3244 131 E 3.9650 8.4316 118.6856 59.7403 29.2342 179.5759 132 T 3.7202 7.6934 114.0207 66.8248 68.7128 176.0835 133 H 4.4694 7.5068 114.8926 56.1896 29.4596 176.1674 134 F 4.6943 7.7726 117.3780 58.7555 40.9481 177.0387 135 L 4.0405 8.0624 118.3321 58.1422 41.5291 179.2493 136 D 4.3529 7.5443 115.1637 57.3042 41.0537 178.0675 137 E 3.9680 8.1261 118.6686 59.4442 29.4604 179.0159 138 E 4.0168 8.3307 118.5719 59.3008 29.4863 179.4405 139 V 3.6030 7.8025 118.2250 66.0721 31.5680 178.1549 140 K 3.9317 8.0475 118.0196 59.3592 31.9361 179.0626 141 L 3.9823 8.1497 120.6114 58.4117 42.0905 179.1507 142 I 3.8181 8.1871 120.1156 64.1521 36.9795 178.3470 143 K 3.9552 8.3302 120.7968 59.2451 32.0298 178.8273 144 K 3.8497 8.1899 120.0063 59.9020 32.1257 178.8435 145 M 4.3332 8.3313 119.0170 58.0049 31.7653 179.1140 146 G 3.5777 8.1972 106.1545 48.0499 0.0000 175.5220 147 D 4.3625 8.0373 121.9454 57.1431 40.6974 178.8828 148 H 4.1570 8.0420 116.6662 58.7862 28.7755 177.5783 149 L 4.0030 8.2145 121.1529 58.3288 41.4853 179.8562 150 T 3.8910 8.0426 115.3636 66.7789 68.2740 176.5564 151 N 4.3639 8.1330 118.3261 56.2760 38.3296 177.4973 152 L 3.9947 8.3827 119.8218 58.0443 41.7604 178.7580 153 H 4.2764 8.1469 117.3506 59.2495 29.9057 177.1128 154 R 4.0386 7.8244 119.5143 58.6370 30.7674 177.2406 155 L 4.5440 7.4345 120.2048 53.3324 40.0917 177.0589 156 G 3.7159 7.5423 111.8274 46.1476 0.0000 172.5455 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 M 8.30 4.41 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 S 8.41 4.49 0.00 3.98 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 3 S 9.30 4.24 0.00 3.92 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 4 Q 8.68 3.95 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 5 I 7.58 3.88 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.89 0.00 0.00 6 R 7.17 4.27 0.00 1.93 1.91 0.00 3.23 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 7 Q 8.82 4.23 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 5.99 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 8 N 9.03 4.19 0.00 2.89 2.91 0.00 0.00 7.12 7.54 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 9 Y 7.45 4.73 0.00 3.04 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 10 S 8.04 4.25 0.00 3.98 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 11 T 8.20 4.04 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 1.16 0.00 0.00 12 D 7.74 4.21 0.00 2.58 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 13 V 7.17 3.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.83 0.00 0.00 14 E 7.70 3.93 0.00 1.60 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 2.30 2.57 0.00 15 A 7.85 4.12 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 16 A 8.15 4.04 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 17 V 7.59 3.55 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 1.06 0.00 0.00 1.02 0.00 0.00 18 N 7.92 4.02 0.00 2.85 2.75 0.00 0.00 6.73 8.14 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 19 S 7.82 4.15 0.00 3.89 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 20 L 7.76 4.02 0.00 2.04 1.88 1.05 0.60 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 21 V 8.57 3.76 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.05 0.00 0.00 22 N 8.00 4.33 0.00 2.78 2.99 0.00 0.00 6.94 6.52 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 23 L 8.04 4.05 0.00 2.00 1.87 0.91 0.93 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 24 Y 8.57 3.92 0.00 3.50 3.42 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 25 L 8.41 4.14 0.00 1.90 1.71 0.89 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.38 4.07 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 27 A 7.86 3.87 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 28 S 8.80 4.27 0.00 4.29 4.37 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 29 Y 8.55 4.45 0.00 3.15 3.05 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 30 T 7.65 3.86 4.08 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 1.06 0.00 0.00 31 Y 7.89 4.16 0.00 3.19 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 32 L 8.18 4.14 0.00 2.12 2.25 1.26 0.76 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 33 S 8.11 4.35 0.00 4.13 4.22 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 34 L 7.80 3.41 0.00 1.41 0.78 -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.38 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 36 F 8.49 4.30 0.00 3.34 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.03 4.19 0.00 3.38 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 38 F 8.18 4.30 0.00 3.23 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 39 D 7.49 4.62 0.00 2.63 2.89 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 40 R 7.27 4.09 0.00 1.79 1.88 0.00 3.28 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 41 D 8.70 4.60 0.00 2.79 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 42 D 7.94 4.60 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.64 3.84 1.86 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 0.75 0.00 0.00 0.29 0.00 0.00 44 A 8.07 3.82 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 45 L 8.49 4.71 0.00 1.88 1.53 1.13 0.76 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 46 E 8.61 4.00 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 47 G 7.92 3.50 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 0.00 0.00 0.00 0.00 48 V 7.40 3.13 1.51 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 -0.33 0.00 0.00 0.56 0.00 0.00 49 S 8.18 4.23 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.40 4.13 0.00 3.27 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.84 4.05 0.00 2.96 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 52 F 7.79 4.07 0.00 3.14 3.13 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 53 R 7.93 3.94 0.00 1.96 1.94 0.00 2.67 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 54 E 7.82 3.85 0.00 1.85 1.77 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 2.12 2.23 0.00 55 L 7.12 3.61 0.00 0.74 0.55 0.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.97 4.17 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 3.98 0.00 2.19 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 2.28 2.35 0.00 58 E 8.19 3.97 0.00 2.17 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 2.24 2.49 0.00 59 K 8.43 4.34 0.00 2.14 2.24 0.00 1.95 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.93 1.90 7.81 60 R 7.67 2.53 0.00 1.77 1.93 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 61 E 8.12 3.99 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 62 G 7.53 3.37 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 0.00 63 Y 8.14 4.35 0.00 3.28 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.98 4.14 0.00 2.15 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 2.41 2.46 0.00 65 R 7.94 4.09 0.00 2.05 2.13 0.00 2.67 0.00 0.00 2.75 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 66 L 8.31 4.17 0.00 2.07 1.77 0.89 0.34 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 67 L 8.40 4.12 0.00 1.84 1.87 1.33 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.95 3.98 0.00 2.13 2.02 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 69 M 8.09 3.87 0.00 1.74 1.60 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.29 0.00 70 Q 8.25 3.76 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 71 N 7.93 4.39 0.00 2.94 2.83 0.00 0.00 7.09 7.97 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 72 Q 7.47 3.82 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 73 R 7.94 3.84 0.00 0.73 0.66 0.00 2.96 0.00 0.00 3.01 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.00 74 G 7.24 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.45 4.55 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 76 R 8.33 4.54 0.00 1.81 1.82 0.00 3.34 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 77 A 8.30 4.49 0.95 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 0.00 0.00 78 L 7.78 4.54 0.00 1.46 1.46 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.74 4.89 0.00 2.98 2.92 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 80 Q 8.26 4.72 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 81 D 8.58 4.53 0.00 2.69 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 82 I 7.95 4.52 1.98 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 1.46 0.64 1.16 0.00 0.00 83 K 8.67 4.14 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 84 K 8.37 3.68 0.00 1.67 1.74 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 85 P 0.00 4.31 0.00 2.41 2.31 0.00 3.27 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 86 A 8.49 4.01 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 87 E 6.64 4.32 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 1.47 1.50 0.00 88 D 8.04 4.66 0.00 2.47 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 89 E 7.34 4.51 0.00 1.70 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 2.20 0.00 90 W 6.25 4.49 0.00 2.62 3.02 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 91 G 7.48 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.65 4.76 0.00 2.12 1.90 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.57 7.81 93 T 8.71 4.18 4.31 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 1.08 0.00 0.00 94 P 0.00 4.33 0.00 2.24 2.19 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 95 D 8.33 4.45 0.00 3.06 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 96 A 8.39 4.18 1.75 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 0.00 0.00 97 M 8.82 4.29 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 98 K 8.48 4.02 0.00 2.18 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.74 7.81 99 A 8.43 4.05 1.55 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 0.00 100 A 8.46 3.99 1.73 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 0.00 101 M 8.26 4.02 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 102 A 8.22 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.85 0.00 1.81 1.84 0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.27 4.06 0.00 2.26 2.20 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 2.71 2.63 0.00 105 K 8.34 4.00 0.00 2.01 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 106 K 8.36 3.91 0.00 1.92 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 107 L 7.88 4.00 0.00 1.85 1.55 0.62 0.20 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 0.00 108 N 8.55 4.40 0.00 3.01 3.00 0.00 0.00 6.77 6.90 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 0.00 109 Q 8.66 3.92 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 110 A 8.05 3.99 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 0.00 111 L 7.97 3.96 0.00 1.93 1.79 1.18 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.17 4.06 0.00 1.86 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.41 4.35 0.00 2.87 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 0.00 114 L 7.97 3.95 0.00 1.78 1.82 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.33 4.24 0.00 3.37 3.49 0.00 5.64 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 0.00 116 A 8.28 3.96 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 0.00 117 L 8.24 4.05 0.00 1.75 1.82 0.88 0.94 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 0.00 118 G 7.88 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.90 4.09 0.00 4.04 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 0.00 120 A 7.63 4.02 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 0.00 121 R 7.67 4.10 0.00 1.79 1.94 0.00 3.44 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 122 T 7.66 3.37 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 1.27 0.00 0.00 123 D 8.64 4.79 0.00 2.65 2.62 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 0.00 0.00 0.00 0.00 124 P 0.00 4.30 0.00 2.34 2.32 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 125 H 8.24 4.11 0.00 3.24 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.04 4.18 0.00 1.90 1.71 0.96 1.00 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 0.00 127 C 7.87 4.33 0.00 3.21 3.07 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 0.00 0.00 0.00 128 D 8.70 4.32 0.00 2.87 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 0.00 129 F 8.74 4.06 0.00 3.03 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 0.00 130 L 8.14 4.25 0.00 1.89 1.81 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.43 3.97 0.00 2.25 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 2.55 0.00 132 T 7.69 3.72 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 133 H 7.51 4.47 0.00 2.52 2.71 0.00 5.59 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 0.00 134 F 7.77 4.69 0.00 3.15 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 0.00 135 L 8.06 4.04 0.00 1.72 1.75 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.54 4.35 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.13 3.97 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 138 E 8.33 4.02 0.00 2.25 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 2.67 2.62 0.00 139 V 7.80 3.60 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 1.12 0.00 0.00 1.01 0.00 0.00 140 K 8.05 3.93 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 141 L 8.15 3.98 0.00 1.89 1.96 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.19 3.82 1.91 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 1.47 1.12 0.96 0.00 0.00 143 K 8.33 3.96 0.00 1.96 2.06 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 144 K 8.19 3.85 0.00 2.06 1.95 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.44 7.81 145 M 8.33 4.33 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.84 0.00 146 G 8.20 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 0.00 0.00 0.00 147 D 8.04 4.36 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.04 4.16 0.00 3.27 3.19 0.00 5.63 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 0.00 149 L 8.21 4.00 0.00 1.94 1.76 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.04 3.89 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 1.21 0.00 0.00 151 N 8.13 4.36 0.00 2.97 2.85 0.00 0.00 7.07 6.76 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 0.00 152 L 8.38 3.99 0.00 1.74 1.76 0.91 1.18 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 0.00 153 H 8.15 4.28 0.00 3.29 3.53 0.00 5.76 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 0.00 154 R 7.82 4.04 0.00 1.97 2.17 0.00 3.31 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 155 L 7.43 4.54 0.00 1.76 1.64 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.54 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