NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5857 8.3493 120.1969 53.9910 42.2667 175.2590 4 W 4.3321 8.2569 122.4395 56.7609 29.0382 171.3499 5 V 3.2626 6.8852 120.1975 62.1317 32.1239 175.0516 6 P 4.7165 0.0000 0.0000 61.3402 32.4367 175.4281 7 P 4.5595 0.0000 0.0000 65.8043 31.0722 178.4306 8 E 4.0615 8.2713 118.4805 59.2555 29.3797 179.0587 9 V 3.6020 7.8790 118.3908 65.9372 31.3197 178.0384 10 F 3.9960 8.0332 116.7795 60.4290 39.0285 177.1016 11 D 4.5608 8.2116 118.0562 57.4611 40.5660 178.3115 12 L 4.0625 7.6933 119.2065 57.9765 42.4017 178.5082 13 V 4.3348 7.7364 109.6944 61.3139 31.7143 177.6456 14 A 4.0319 7.9257 122.6134 55.2513 18.2759 179.5208 15 E 3.8795 8.1535 117.0393 59.7600 29.8032 178.6703 16 D 4.3845 8.0996 118.4286 56.9464 40.8247 178.5248 17 K 4.0391 8.7276 120.4645 59.4910 32.2859 178.6403 18 A 4.0149 8.2025 121.0703 55.1563 18.2496 179.4145 19 R 3.8353 8.0634 117.0640 60.0075 30.3178 178.0666 20 C 4.4035 8.5883 116.4977 60.3815 35.3892 176.0889 21 M 4.2141 8.5964 121.8949 57.8594 31.2977 178.8038 22 S 4.0922 7.9784 112.3316 61.4427 62.6931 175.6282 23 E 4.0569 8.2490 120.2206 59.1416 29.6405 178.1980 24 H 4.8940 8.1930 113.1890 54.5624 29.3362 175.6987 25 G 4.0674 7.9737 108.6164 46.6152 0.0000 174.0955 26 T 4.3137 7.8493 116.2652 63.0703 69.3102 174.1366 27 T 4.6359 8.4354 115.2177 59.6280 71.4031 175.4175 28 Q 3.8381 8.4640 122.6178 59.1486 28.9659 178.3830 29 A 4.0519 7.9170 121.6160 55.1790 18.3197 179.4146 30 Q 3.9690 8.0319 116.5388 59.1048 28.3615 179.1453 31 I 3.7341 7.4491 120.9804 64.4532 37.1807 178.0584 32 D 4.4078 8.5658 120.1237 57.6355 40.6420 178.7656 33 D 4.3739 8.0999 119.3060 57.2248 40.8194 178.8443 34 V 3.7666 7.6139 118.9086 66.3804 31.3371 177.9324 35 D 4.7338 7.7190 116.6876 56.8629 40.6388 177.8827 36 K 4.4507 7.7900 117.0103 55.5839 32.0621 176.9717 37 G 3.8522 8.3203 107.1056 46.5950 0.0000 174.0663 38 N 4.7635 8.6088 118.5616 51.1072 38.5595 174.0664 39 L 4.8584 8.3330 124.5283 53.0080 44.7656 176.0166 40 V 4.6309 8.2385 117.7936 59.5758 35.4325 175.7405 41 N 3.8729 8.0570 121.3699 52.2403 37.1878 174.1600 42 E 4.5776 7.5376 119.6492 53.6486 32.5324 174.3820 43 P 4.4388 0.0000 0.0000 65.1159 31.2245 178.5922 44 S 4.6705 8.1167 112.7387 60.3018 62.9438 175.3932 45 I 4.2839 7.6219 121.0603 62.9218 38.6038 177.4142 46 T 4.0672 8.1825 110.9137 65.2012 68.5600 175.8996 47 C 4.4306 8.7292 119.5493 59.2047 41.0010 175.4176 48 Y 3.9936 8.0445 121.1316 60.9498 38.4971 177.8393 49 M 3.9240 8.2628 119.5691 58.4601 32.0530 177.8958 50 Y 4.0630 7.9879 119.6261 60.9369 38.9290 177.3884 51 C 4.0478 8.2953 119.2551 59.6662 42.8306 175.4174 52 L 3.7575 7.6023 121.7964 57.9872 41.5526 178.8029 53 L 3.9510 7.7331 118.9508 57.8123 41.5462 179.1208 54 E 3.6599 8.0539 119.3222 59.1299 29.2476 178.6529 55 A 3.8831 7.7615 119.7933 54.0968 18.3015 178.0631 56 F 4.4060 7.2903 113.2184 57.1057 39.3350 175.8972 57 S 3.8172 7.8185 114.0626 59.6503 60.7638 173.3275 58 L 4.2845 8.1220 122.6106 56.6143 41.7811 177.2773 59 V 5.3947 7.5645 109.3529 58.7156 35.8551 174.3327 60 D 5.0093 8.2713 121.5919 51.5589 41.7841 176.4027 61 D 4.6099 8.7877 117.5491 56.0935 39.1330 176.7221 62 E 5.0482 8.4309 117.4687 54.8442 30.2867 175.2510 63 A 4.0736 8.2304 118.9548 53.2732 17.0173 178.2550 64 N 4.6032 8.6680 117.4002 54.4990 39.3158 175.0371 65 V 4.3095 8.2297 122.6979 62.2022 32.7409 175.6525 66 D 4.6271 8.7983 126.8171 53.4240 41.2254 176.8724 67 E 4.0518 8.6343 128.2458 59.3713 29.6044 178.9965 68 D 4.3547 8.1275 118.7309 57.2527 40.9521 178.6701 69 I 3.7279 7.8439 120.1888 64.3815 36.8873 178.0249 70 M 3.9913 7.8905 117.9189 58.7977 32.5177 178.0220 71 L 4.1761 8.3212 119.5196 57.6872 41.6128 179.6463 72 G 3.7154 8.2506 104.7657 47.1995 0.0000 174.3109 73 L 4.1627 7.3308 119.1439 55.8341 42.2882 177.0902 74 L 3.8928 7.1133 117.5693 52.2706 43.0510 174.8060 75 P 4.1522 0.0000 0.0000 62.4782 32.2203 177.2972 76 D 4.3070 8.7541 121.4651 57.7156 40.7771 178.7636 77 Q 4.1829 7.7996 113.6832 57.2839 29.1788 176.6782 78 L 4.4123 7.5890 118.5388 55.0057 42.1649 178.1573 79 Q 3.8966 7.7871 119.2485 58.6940 28.7599 177.9196 80 E 3.8678 8.0821 119.8542 59.5074 29.7007 178.8372 81 R 3.9007 7.9268 117.8534 59.2242 30.1093 178.1358 82 A 3.9976 8.3636 121.1655 55.1264 18.3809 179.3284 83 Q 3.8856 8.4824 118.5775 59.2991 29.1254 178.4927 84 S 4.0664 7.9816 113.8181 61.3882 62.3734 176.2594 85 V 3.6125 7.7696 120.9056 66.4188 31.1738 177.9387 86 M 4.1965 8.5387 118.8710 58.1992 31.5217 178.7709 87 G 3.6925 8.0247 105.2815 47.7986 0.0000 175.2793 88 K 4.1219 7.6902 120.3406 58.8755 32.4587 177.5414 89 C 4.6297 8.2869 114.1261 56.1051 41.1375 173.5174 90 L 4.9231 7.3426 120.5611 51.6934 43.9794 174.5549 91 P 4.5191 0.0000 0.0000 62.3943 32.0506 176.3168 92 T 4.1667 8.1469 109.6282 62.1391 69.7344 173.5731 93 S 4.5480 7.6892 114.9824 56.8625 65.4529 174.5433 94 G 4.5394 7.9937 109.4341 44.7291 0.0000 172.3724 95 S 4.3586 8.0227 113.5077 59.6119 63.7641 173.6439 96 D 4.3733 7.4207 119.7143 51.5924 42.5941 175.9980 97 N 4.0762 8.2099 116.5407 56.7784 38.1840 178.3225 98 C 4.3673 8.0040 117.1327 60.0890 41.5628 175.5596 99 N 4.2660 9.0767 119.0366 56.4039 38.4746 177.1227 100 K 4.6325 8.3756 121.9159 59.1481 32.1699 179.3807 101 I 3.9205 7.8784 119.7443 64.1599 37.0407 177.4956 102 Y 4.1694 8.4118 120.9870 61.2411 38.5872 178.4202 103 N 4.0261 8.4099 117.0276 55.8805 38.4785 177.3470 104 L 3.7581 7.7343 121.6806 57.8724 42.1553 178.7184 105 A 2.0000 7.7303 120.9858 54.4321 18.1321 179.7362 106 K 3.5581 7.4128 116.7734 59.5899 31.5557 178.6832 107 C 4.0840 7.8314 118.6166 59.6849 41.7505 175.8923 108 V 3.5407 7.6660 119.9382 66.1082 30.9173 178.1034 109 Q 3.9352 7.7832 116.8821 58.9254 28.6097 178.2596 110 E 4.1046 8.2473 118.5016 58.3284 29.5068 178.3600 111 S 4.8120 7.0827 112.7433 58.8711 65.1512 174.0220 112 A 4.4123 8.9598 121.7221 50.8006 20.7827 174.4419 113 P 4.3761 0.0000 0.0000 66.4758 31.6785 178.9498 114 D 4.6733 8.1670 115.9784 56.7187 41.0061 177.7421 115 V 3.8157 8.0556 119.0051 65.0743 31.7089 175.8967 116 W 4.5672 8.6077 130.7982 57.1262 30.2842 175.1958 117 F 4.5032 7.7980 129.3853 56.5554 38.5964 175.3913 118 V 3.6667 7.3266 128.0480 61.4696 33.4213 174.6747 119 I 3.8028 7.5990 127.1535 61.2930 37.1686 175.6844 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 3 D 8.35 4.59 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 4 W 8.26 4.33 0.00 3.64 3.21 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 0.00 0.00 0.00 5 V 6.89 3.26 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.17 0.00 0.00 6 P 0.00 4.72 0.00 2.60 2.23 0.00 3.81 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 7 P 0.00 4.56 0.00 2.29 2.31 0.00 3.75 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 2.10 2.06 0.00 8 E 8.27 4.06 0.00 2.12 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 2.43 2.46 0.00 9 V 7.88 3.60 2.13 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 0.98 0.00 0.00 0.93 0.00 0.00 10 F 8.03 4.00 0.00 3.12 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 11 D 8.21 4.56 0.00 2.96 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 12 L 7.69 4.06 0.00 1.82 1.72 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.74 4.33 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 0.35 0.00 0.00 0.89 0.00 0.00 14 A 7.93 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 15 E 8.15 3.88 0.00 2.07 1.97 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 2.38 2.42 0.00 16 D 8.10 4.38 0.00 2.84 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 17 K 8.73 4.04 0.00 1.89 2.11 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.69 7.81 18 A 8.20 4.01 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 19 R 8.06 3.84 0.00 1.92 2.10 0.00 3.21 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 C 8.59 4.40 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 21 M 8.60 4.21 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.06 0.00 22 S 7.98 4.09 0.00 3.99 4.04 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 23 E 8.25 4.06 0.00 1.99 1.67 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 2.31 2.51 0.00 24 H 8.19 4.89 0.00 3.43 3.40 0.00 5.70 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 7.97 4.07 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 0.00 0.00 0.00 26 T 7.85 4.31 4.04 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 0.86 0.00 0.00 27 T 8.44 4.64 4.21 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 0.00 0.00 1.19 0.00 0.00 28 Q 8.46 3.84 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 29 A 7.92 4.05 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 30 Q 8.03 3.97 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 31 I 7.45 3.73 1.91 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.95 0.00 0.00 32 D 8.57 4.41 0.00 2.82 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 33 D 8.10 4.37 0.00 2.97 2.96 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 34 V 7.61 3.77 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 1.12 0.00 0.00 35 D 7.72 4.73 0.00 2.89 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 36 K 7.79 4.45 0.00 1.91 1.85 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.60 7.81 37 G 8.32 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 38 N 8.61 4.76 0.00 2.79 2.82 0.00 0.00 6.54 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.33 4.86 0.00 1.57 1.54 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.24 4.63 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 0.81 0.00 0.00 0.94 0.00 0.00 41 N 8.06 3.87 0.00 1.44 2.33 0.00 0.00 6.88 7.65 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 42 E 7.54 4.58 0.00 1.98 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 0.00 2.25 2.29 0.00 43 P 0.00 4.44 0.00 2.17 2.14 0.00 3.86 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 2.11 2.01 0.00 44 S 8.12 4.67 0.00 4.06 4.11 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 45 I 7.62 4.28 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.42 1.04 0.00 0.00 46 T 8.18 4.07 4.58 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 1.38 0.00 0.00 47 C 8.73 4.43 0.00 3.05 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 48 Y 8.04 3.99 0.00 3.27 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 49 M 8.26 3.92 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.10 2.81 0.00 50 Y 7.99 4.06 0.00 3.17 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 51 C 8.30 4.05 0.00 3.18 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 52 L 7.60 3.76 0.00 1.23 1.29 0.88 0.43 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 53 L 7.73 3.95 0.00 1.71 1.62 1.06 0.52 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 54 E 8.05 3.66 0.00 1.19 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 2.15 2.33 0.00 55 A 7.76 3.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.29 4.41 0.00 3.09 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 57 S 7.82 3.82 0.00 4.05 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 58 L 8.12 4.28 0.00 1.83 1.74 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.56 5.39 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 0.96 0.00 0.00 0.62 0.00 0.00 60 D 8.27 5.01 0.00 2.93 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 61 D 8.79 4.61 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 62 E 8.43 5.05 0.00 1.96 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 2.18 2.23 0.00 63 A 8.23 4.07 1.49 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 0.00 0.00 64 N 8.67 4.60 0.00 3.17 2.79 0.00 0.00 6.68 8.04 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 65 V 8.23 4.31 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 0.86 0.00 0.00 1.05 0.00 0.00 66 D 8.80 4.63 0.00 2.77 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 67 E 8.63 4.05 0.00 2.06 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 0.00 2.43 2.43 0.00 68 D 8.13 4.35 0.00 2.81 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 I 7.84 3.73 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 1.42 1.20 0.93 0.00 0.00 70 M 7.89 3.99 0.00 2.17 2.14 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 2.66 2.63 0.00 71 L 8.32 4.18 0.00 1.78 1.81 0.95 0.84 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 72 G 8.25 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 73 L 7.33 4.16 0.00 1.75 1.46 0.88 1.31 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 74 L 7.11 3.89 0.00 1.41 1.10 0.87 0.81 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 75 P 0.00 4.15 0.00 1.77 1.70 0.00 2.48 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.43 0.00 76 D 8.75 4.31 0.00 2.62 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 77 Q 7.80 4.18 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 78 L 7.59 4.41 0.00 1.40 1.55 0.42 0.69 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 79 Q 7.79 3.90 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 80 E 8.08 3.87 0.00 2.00 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 2.36 2.36 0.00 81 R 7.93 3.90 0.00 1.90 2.02 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 82 A 8.36 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.48 3.89 0.00 2.30 2.10 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 2.35 2.36 0.00 84 S 7.98 4.07 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.77 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 1.10 0.00 0.00 1.04 0.00 0.00 86 M 8.54 4.20 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 87 G 8.02 3.69 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 0.00 0.00 0.00 88 K 7.69 4.12 0.00 1.77 2.00 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 89 C 8.29 4.63 0.00 3.02 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 90 L 7.34 4.92 0.00 1.71 1.57 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.52 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 T 8.15 4.17 4.29 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 1.28 0.00 0.00 93 S 7.69 4.55 0.00 3.99 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 94 G 7.99 4.54 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 0.00 0.00 0.00 95 S 8.02 4.36 0.00 3.98 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 96 D 7.42 4.37 0.00 2.83 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 97 N 8.21 4.08 0.00 2.19 1.55 0.00 0.00 6.83 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 98 C 8.00 4.37 0.00 3.08 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 99 N 9.08 4.27 0.00 2.78 2.94 0.00 0.00 7.26 6.92 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 0.00 100 K 8.38 4.63 0.00 2.00 1.90 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.45 7.81 101 I 7.88 3.92 2.09 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.13 1.25 0.00 0.00 102 Y 8.41 4.17 0.00 3.04 3.21 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 0.00 0.00 0.00 103 N 8.41 4.03 0.00 3.01 2.79 0.00 0.00 6.75 6.26 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 0.00 104 L 7.73 3.76 0.00 1.83 1.74 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.73 2.00 0.82 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 0.00 0.00 106 K 7.41 3.56 0.00 1.51 1.58 0.00 1.43 0.00 0.00 1.28 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.67 0.55 7.81 107 C 7.83 4.08 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.67 3.54 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 1.26 0.00 0.00 0.95 0.00 0.00 109 Q 7.78 3.94 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 110 E 8.25 4.10 0.00 1.93 1.97 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 2.30 2.33 0.00 111 S 7.08 4.81 0.00 3.87 3.88 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 0.00 0.00 0.00 112 A 8.96 4.41 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 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.38 0.00 2.27 2.21 0.00 3.66 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 2.16 2.37 0.00 114 D 8.17 4.67 0.00 2.81 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 0.00 115 V 8.06 3.82 2.39 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 0.87 0.00 0.00 1.00 0.00 0.00 116 W 8.61 4.57 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.80 4.50 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.33 3.67 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 0.93 0.00 0.00 0.72 0.00 0.00 119 I 7.60 3.80 1.27 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.06 0.44 0.00 0.00