NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5324 8.3044 120.2866 55.2942 33.8449 173.9258 3 V 4.2261 8.0635 121.6580 59.8655 33.7719 172.9061 4 W 4.5744 9.1449 135.0000 57.5494 31.6244 174.8064 5 T 4.2012 8.1750 123.9594 61.3964 67.0403 172.6349 6 P 4.5250 0.0000 0.0000 63.2253 32.2682 175.6202 7 V 4.0560 7.3686 119.8804 62.6194 32.6536 175.2779 8 N 4.1998 8.6790 125.4309 54.9952 36.0458 173.4340 9 N 5.0264 7.6358 108.8490 52.9607 40.0984 174.1804 10 K 4.1188 8.4174 116.3755 56.4724 32.7623 176.6971 11 M 4.9151 8.3526 121.0637 53.9290 35.0328 175.2574 12 F 4.6109 8.2295 116.5998 57.4383 41.0814 176.6605 13 E 3.4708 8.3600 122.1465 57.1927 27.8790 175.6407 14 T 3.8265 8.3478 122.4995 66.4271 68.9173 174.2747 15 F 4.5265 9.0137 124.1489 57.5985 36.6938 176.4766 16 S 4.4655 8.2252 114.9825 60.4812 62.9471 174.5331 17 Y 4.3876 8.2796 117.2157 58.2075 38.2433 175.1745 18 L 4.6478 7.6150 120.1139 52.2390 43.4735 174.5268 19 P 4.4283 0.0000 0.0000 61.9159 31.7624 175.0164 20 P 4.3045 0.0000 0.0000 62.7959 31.7678 176.4591 21 L 3.9888 8.3342 122.7682 54.7729 42.1641 177.9655 22 T 4.2390 8.1953 114.0152 61.1364 71.1504 175.2987 23 D 4.3334 8.5458 120.9459 57.5334 40.7712 178.7602 24 E 3.9190 8.0796 119.2604 59.4523 29.7939 178.8007 25 Q 3.9409 8.0528 118.1107 58.7740 28.6756 178.7381 26 I 3.6854 8.0523 120.9634 64.3286 37.1161 178.1463 27 A 4.0244 8.2032 121.4295 55.2777 18.1524 179.5581 28 A 3.9523 8.0969 119.1084 55.4170 18.4353 179.8849 29 Q 4.0787 8.0606 116.4964 59.1612 28.7965 179.2296 30 V 3.7607 8.2182 119.3777 66.1137 31.5463 177.7497 31 D 4.4257 8.4970 118.9331 57.5169 40.7323 178.1828 32 Y 4.1354 8.2046 119.9924 60.6929 38.8202 177.9631 33 I 3.9244 7.9744 120.7779 64.6974 37.4066 178.5923 34 V 3.5352 7.8858 118.5482 65.9500 31.1565 177.8571 35 A 3.9075 8.1115 119.8369 54.6883 18.2633 178.4168 36 N 4.0354 7.1667 111.7882 52.2075 38.7031 175.6919 37 G 3.7561 7.2212 108.0990 46.1669 0.0000 174.0669 38 W 4.9873 7.5769 118.8661 55.9762 30.7711 176.2622 39 I 4.5082 8.8496 123.2740 59.3118 37.9776 173.9680 40 P 4.9392 0.0000 0.0000 63.1663 32.8802 174.8502 41 C 5.0267 8.9938 120.6845 58.3800 35.6405 172.3309 42 L 5.3530 8.7601 123.3410 53.1407 44.5759 175.2253 43 E 5.6096 9.2720 121.3035 54.8524 33.9932 174.6613 44 F 5.6665 9.0689 116.3139 55.8730 42.1392 173.0216 45 A 4.5071 8.4261 120.1870 50.1677 22.5969 176.2469 46 E 4.2733 8.6345 118.6570 55.7378 30.5657 177.6826 47 A 4.2910 8.8501 123.0396 55.8838 18.4158 179.7452 48 D 4.5329 8.1392 113.1864 56.2948 41.0632 177.1394 49 K 4.6008 7.9403 117.1183 56.0177 32.7080 176.7788 50 A 3.8366 7.6119 124.0407 53.8945 18.8864 178.2014 51 Y 4.6727 7.4002 111.2538 55.6208 40.2098 175.7951 52 V 3.9035 8.2655 122.3547 63.7878 32.0605 175.2054 53 S 4.7318 8.7377 119.2014 56.8087 66.2910 173.8037 54 N 5.0944 8.5757 114.4439 52.6836 39.1081 176.1014 55 E 3.9625 8.2430 121.1557 59.9025 29.4072 179.2692 56 S 4.0120 8.7994 115.4802 60.6785 62.8507 176.0589 57 A 2.5800 7.5590 123.2146 53.5607 17.7229 179.0717 58 I 3.5884 6.9856 116.8469 63.6169 38.0524 177.1218 59 R 4.2816 7.6056 116.5175 55.7317 30.5357 176.2236 60 F 5.0659 7.1462 118.0741 55.8460 41.2449 177.5779 61 G 3.9564 8.2209 114.8381 46.1197 0.0000 175.0192 62 S 4.5938 8.4179 113.5735 58.2553 61.7680 174.3652 63 V 4.4673 7.1983 107.4037 61.1444 33.3180 177.6481 64 S 4.5078 8.2242 115.1000 59.5382 63.6031 173.5055 65 C 4.0140 8.1244 119.0139 61.6614 27.9780 173.1566 66 L 3.5953 8.4526 123.0831 55.5897 39.0348 173.1556 67 Y 4.4224 7.8043 119.5187 55.9446 39.9768 174.5825 68 Y 4.8698 7.2903 123.3577 56.2847 42.3637 174.7661 69 D 4.5002 8.9592 123.4824 55.1373 41.8025 176.8789 70 N 4.4230 8.8573 116.0863 54.2975 35.9991 176.0254 71 R 3.9791 7.9721 119.0416 59.2323 30.4061 177.1326 72 Y 4.3926 7.7284 114.9046 57.8289 38.4173 175.0555 73 W 5.0431 8.7099 124.4352 55.5235 32.5724 174.5380 74 T 4.3751 8.0720 116.9264 62.4251 69.7146 174.5246 75 M 4.6323 8.5064 126.4220 55.2743 33.2251 175.1652 76 W 4.8430 9.4988 135.0000 56.3009 31.4365 176.8706 77 K 3.4171 8.5246 128.4512 57.5278 30.8618 178.0437 78 L 4.9251 8.2790 124.3168 52.6609 45.1304 174.0321 79 P 4.3393 0.0000 0.0000 63.4441 32.3857 177.4902 80 M 4.3086 8.7066 123.0955 53.7316 30.4690 175.9457 81 F 4.4711 7.3148 118.3452 58.9101 40.0438 176.5256 82 G 3.9668 9.1256 112.4375 45.6118 0.0000 172.8888 83 C 4.3030 7.9187 120.5452 59.4493 31.6940 173.2167 84 R 4.5237 8.6669 124.0849 55.5487 31.0514 174.5442 85 D 4.8359 7.8178 118.5443 51.5580 42.5432 174.6048 86 P 4.3322 0.0000 0.0000 65.9273 31.2708 178.5481 87 M 4.1453 8.2010 117.1378 58.3470 31.7700 178.7774 88 Q 4.0149 7.9429 118.4302 58.8464 28.8969 178.9502 89 V 3.6108 7.7571 118.7272 66.0717 31.7428 177.8666 90 L 4.0366 7.9663 118.7164 57.9537 41.4304 179.7770 91 R 3.9681 8.2711 118.0808 59.3283 29.9392 179.0104 92 E 4.1219 8.3393 118.4740 59.2298 29.4253 179.3298 93 I 3.5226 7.8018 119.9987 64.3123 37.2162 178.4380 94 V 3.4803 7.6381 118.5605 66.0156 31.3261 177.9286 95 A 3.9412 8.0135 120.3744 55.1576 18.2520 179.1960 96 C 2.0000 7.6783 117.7161 62.1084 31.2358 175.9920 97 T 3.7374 7.5763 111.2788 64.3602 67.9908 176.4550 98 K 3.8202 7.7077 121.7254 59.3295 32.3273 178.4481 99 A 3.9655 7.5587 119.9086 53.5861 19.8418 177.6689 100 F 4.7468 7.7858 115.4089 55.0561 39.1288 174.0122 101 P 4.4306 0.0000 0.0000 64.3816 31.8359 177.8703 102 D 4.5922 8.0292 116.3739 53.9854 41.3345 175.7499 103 A 4.6885 7.3762 121.0606 50.7212 20.7884 176.9881 104 Y 4.2505 8.6567 117.8321 57.8799 39.4694 175.2642 105 V 5.2011 8.9561 123.1552 61.1199 35.1964 174.2839 106 R 4.9735 9.4460 123.9214 54.2347 32.9108 173.9495 107 L 4.7149 8.0612 123.8351 54.1724 43.6395 175.7505 108 V 4.7854 8.7064 118.3913 59.4639 36.3227 174.2122 109 A 4.9108 8.0275 121.6793 50.4287 22.7789 175.1674 110 F 5.2301 9.0434 119.7249 55.6974 42.7223 174.0873 111 D 5.3352 8.8805 122.7787 52.7344 42.3363 176.6252 112 N 4.7355 9.1650 123.1136 54.3139 38.4009 176.4240 113 Q 4.1885 8.7496 118.8589 58.9786 29.0058 177.6996 114 K 4.0132 8.3110 114.7241 57.1786 32.9170 176.6243 115 Q 3.4532 8.0558 118.5049 55.9694 26.9812 172.5203 116 V 4.5230 7.7405 117.2740 60.0744 35.0457 174.1822 117 Q 4.2874 8.6686 122.9719 56.3907 29.3442 175.4868 118 I 4.2895 8.2518 124.3609 60.9536 40.0487 174.4876 119 M 4.7299 6.9920 117.5878 54.3021 34.8870 173.8393 120 G 4.2272 8.3329 103.2907 45.8031 0.0000 172.6509 121 F 5.0871 7.7170 118.3625 55.2692 41.7212 173.2110 122 L 4.5610 8.7836 122.9930 55.5991 42.0164 176.7864 123 V 4.5175 8.9781 118.2091 61.5088 34.0760 175.6821 124 Q 4.6287 7.8217 121.0976 54.3956 32.4524 173.2920 125 R 4.3432 8.1289 121.4779 52.9297 32.7572 173.5679 126 P 4.2119 0.0000 0.0000 62.7556 31.7295 177.6202 127 K 4.0856 8.4276 119.4772 59.2627 32.1392 178.1967 128 T 4.1502 7.7702 106.7435 62.1225 69.3839 174.7673 129 A 4.2656 7.7605 126.5096 52.9030 18.6504 177.3782 130 R 4.6495 8.8382 120.1793 55.8342 31.7722 175.3980 131 D 4.9992 8.4855 116.7192 52.7067 39.7355 175.3619 132 F 5.3343 7.8538 112.8060 55.5725 41.0034 173.6860 133 Q 4.4193 8.3667 120.3947 52.9701 31.1092 174.1894 134 P 4.4585 0.0000 0.0000 62.4191 32.3877 176.8921 135 A 3.9392 8.8223 122.9360 55.5000 18.2076 178.9233 136 N 4.6660 8.0329 109.5756 53.3376 37.8249 175.4445 137 K 4.4659 7.9003 117.3247 56.3295 33.2486 177.3437 138 R 3.5616 7.5490 120.0901 57.8425 30.0991 176.7258 139 S 5.0986 7.4612 110.0934 56.3264 66.0117 174.2351 140 V 3.9888 8.5243 114.5070 61.7587 32.2261 175.6085 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 M 8.30 4.53 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 3 V 8.06 4.23 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 1.08 0.00 0.00 0.97 0.00 0.00 4 W 9.14 4.57 0.00 3.48 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 5 T 8.18 4.20 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 0.99 0.00 0.00 6 P 0.00 4.53 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 7 V 7.37 4.06 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.68 4.20 0.00 2.90 2.89 0.00 0.00 6.82 8.00 0.00 0.00 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 7.64 5.03 0.00 2.65 2.68 0.00 0.00 7.30 6.68 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 10 K 8.42 4.12 0.00 1.95 1.55 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.60 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.28 1.37 7.81 11 M 8.35 4.92 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 12 F 8.23 4.61 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.36 3.47 0.00 2.14 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 2.20 2.13 0.00 14 T 8.35 3.83 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 0.12 0.00 0.00 15 F 9.01 4.53 0.00 3.31 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 16 S 8.23 4.47 0.00 4.14 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 17 Y 8.28 4.39 0.00 3.02 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 18 L 7.61 4.65 0.00 1.85 1.62 0.87 0.99 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 19 P 0.00 4.43 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 P 0.00 4.30 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 21 L 8.33 3.99 0.00 1.59 1.49 0.33 0.54 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 22 T 8.20 4.24 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 1.18 0.00 0.00 23 D 8.55 4.33 0.00 2.70 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 24 E 8.08 3.92 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 25 Q 8.05 3.94 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.05 3.69 2.06 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 1.63 0.72 1.08 0.00 0.00 27 A 8.20 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.10 3.95 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 29 Q 8.06 4.08 0.00 2.45 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.37 1.90 0.00 30 V 8.22 3.76 2.31 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 1.15 0.00 0.00 1.10 0.00 0.00 31 D 8.50 4.43 0.00 2.98 2.76 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 32 Y 8.20 4.14 0.00 3.21 3.32 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 33 I 7.97 3.92 2.18 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 1.10 0.00 0.00 34 V 7.89 3.54 2.19 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 1.03 0.00 0.00 1.02 0.00 0.00 35 A 8.11 3.91 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 36 N 7.17 4.04 0.00 1.44 1.42 0.00 0.00 7.04 7.49 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 37 G 7.22 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 38 W 7.58 4.99 0.00 3.38 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 39 I 8.85 4.51 2.12 0.00 0.00 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 1.51 1.00 0.74 0.00 0.00 40 P 0.00 4.94 0.00 2.22 2.20 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 C 8.99 5.03 0.00 3.15 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 42 L 8.76 5.35 0.00 1.86 1.63 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.27 5.61 0.00 2.02 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 2.35 2.33 0.00 44 F 9.07 5.67 0.00 3.05 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 45 A 8.43 4.51 -0.24 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 46 E 8.63 4.27 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 47 A 8.85 4.29 1.50 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 48 D 8.14 4.53 0.00 2.70 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 49 K 7.94 4.60 0.00 1.59 1.66 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.42 7.81 50 A 7.61 3.84 0.52 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 0.00 0.00 51 Y 7.40 4.67 0.00 2.91 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 52 V 8.27 3.90 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 0.65 0.00 0.00 0.77 0.00 0.00 53 S 8.74 4.73 0.00 4.08 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 54 N 8.58 5.09 0.00 2.74 2.85 0.00 0.00 6.56 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 55 E 8.24 3.96 0.00 2.15 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 2.39 2.38 0.00 56 S 8.80 4.01 0.00 4.09 3.79 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 0.00 0.00 0.00 57 A 7.56 2.58 1.14 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 0.00 0.00 58 I 6.99 3.59 1.79 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 1.48 0.81 0.86 0.00 0.00 59 R 7.61 4.28 0.00 1.91 2.02 0.00 3.20 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 60 F 7.15 5.07 0.00 3.01 2.79 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 0.00 0.00 0.00 61 G 8.22 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 0.00 0.00 0.00 62 S 8.42 4.59 0.00 3.87 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 63 V 7.20 4.47 1.85 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 0.66 0.00 0.00 0.50 0.00 0.00 64 S 8.22 4.51 0.00 4.10 4.27 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 65 C 8.12 4.01 0.00 2.96 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 66 L 8.45 3.60 0.00 1.77 1.75 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.80 4.42 0.00 2.91 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 68 Y 7.29 4.87 0.00 2.80 2.70 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 69 D 8.96 4.50 0.00 2.77 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 70 N 8.86 4.42 0.00 3.05 3.23 0.00 0.00 6.98 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 71 R 7.97 3.98 0.00 1.52 1.69 0.00 3.08 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 72 Y 7.73 4.39 0.00 3.05 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 73 W 8.71 5.04 0.00 3.08 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 74 T 8.07 4.38 2.94 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 0.00 0.00 0.93 0.00 0.00 75 M 8.51 4.63 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 76 W 9.50 4.84 0.00 3.72 3.31 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 77 K 8.52 3.42 0.00 1.68 0.74 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.78 0.21 7.81 78 L 8.28 4.93 0.00 1.60 1.58 1.00 1.03 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 79 P 0.00 4.34 0.00 0.66 1.80 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 80 M 8.71 4.31 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.31 4.47 0.00 3.10 2.97 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 82 G 9.13 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 0.00 0.00 0.00 83 C 7.92 4.30 0.00 3.10 2.97 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 84 R 8.67 4.52 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 85 D 7.82 4.84 0.00 2.73 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 0.00 0.00 0.00 0.00 86 P 0.00 4.33 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.20 4.15 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 88 Q 7.94 4.01 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 89 V 7.76 3.61 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 1.11 0.00 0.00 1.03 0.00 0.00 90 L 7.97 4.04 0.00 1.91 1.72 0.95 1.03 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 91 R 8.27 3.97 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 92 E 8.34 4.12 0.00 2.24 2.17 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 2.62 2.66 0.00 93 I 7.80 3.52 2.01 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 1.35 0.88 0.86 0.00 0.00 94 V 7.64 3.48 2.22 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 0.97 0.00 0.00 0.96 0.00 0.00 95 A 8.01 3.94 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 96 C 7.68 2.00 0.00 1.23 2.22 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 97 T 7.58 3.74 4.32 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 1.15 0.00 0.00 98 K 7.71 3.82 0.00 1.80 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 99 A 7.56 3.97 1.16 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 0.00 0.00 0.00 0.00 0.00 100 F 7.79 4.75 0.00 2.79 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 0.00 101 P 0.00 4.43 0.00 2.12 2.12 0.00 3.27 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 102 D 8.03 4.59 0.00 2.70 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 0.00 103 A 7.38 4.69 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 0.00 104 Y 8.66 4.25 0.00 2.56 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 0.00 105 V 8.96 5.20 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 0.91 0.00 0.00 0.90 0.00 0.00 106 R 9.45 4.97 0.00 1.79 1.86 0.00 2.28 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.31 0.00 107 L 8.06 4.71 0.00 1.52 0.74 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.71 4.79 1.59 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 0.47 0.00 0.00 0.58 0.00 0.00 109 A 8.03 4.91 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 0.00 110 F 9.04 5.23 0.00 2.99 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 0.00 111 D 8.88 5.34 0.00 2.37 2.45 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 0.00 112 N 9.16 4.74 0.00 2.94 3.05 0.00 0.00 6.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.75 4.19 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 114 K 8.31 4.01 0.00 1.75 1.87 0.00 2.13 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 115 Q 8.06 3.45 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 116 V 7.74 4.52 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 0.51 0.00 0.00 0.91 0.00 0.00 117 Q 8.67 4.29 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.14 1.88 0.00 118 I 8.25 4.29 1.25 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 0.09 0.63 -0.62 0.00 0.00 119 M 6.99 4.73 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 120 G 8.33 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 0.00 0.00 0.00 0.00 121 F 7.72 5.09 0.00 3.23 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 0.00 122 L 8.78 4.56 0.00 1.57 1.62 0.55 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.98 4.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.91 0.00 0.00 124 Q 7.82 4.63 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 125 R 8.13 4.34 0.00 1.16 1.53 0.00 2.21 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.00 126 P 0.00 4.21 0.00 2.11 2.23 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 127 K 8.43 4.09 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 128 T 7.77 4.15 4.27 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 1.22 0.00 0.00 129 A 7.76 4.27 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 0.00 130 R 8.84 4.65 0.00 1.80 1.89 0.00 3.32 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.54 0.00 131 D 8.49 5.00 0.00 2.88 2.94 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 0.00 0.00 0.00 132 F 7.85 5.33 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.37 4.42 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 134 P 0.00 4.46 0.00 2.34 2.19 0.00 3.52 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 135 A 8.82 3.94 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 0.00 136 N 8.03 4.67 0.00 2.83 2.93 0.00 0.00 5.82 7.13 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 0.00 137 K 7.90 4.47 0.00 1.59 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.29 7.81 138 R 7.55 3.56 0.00 1.53 0.66 0.00 3.05 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 139 S 7.46 5.10 0.00 4.00 3.94 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 0.00 0.00 0.00 140 V 8.52 3.99 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 0.60 0.00 0.00 0.91 0.00 0.00