NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1906 8.3049 120.3484 57.2453 33.8610 176.3711 2 K 3.9554 7.8188 121.3304 56.6798 28.9557 170.7781 3 K 5.2850 10.0544 121.8712 54.4871 36.4429 175.7068 4 I 5.1418 8.9420 125.3557 59.3735 40.8517 174.1511 5 L 5.2163 9.0655 127.9509 53.2467 44.9281 174.5255 6 L 5.2299 9.1603 129.0283 53.6726 44.0148 174.8546 7 L 5.5758 9.3823 126.3890 53.0951 45.2721 175.2232 8 N 5.4180 9.2465 120.2819 51.7212 42.2652 175.3282 9 G 4.1976 8.9111 113.3618 43.8302 0.0000 171.3016 10 P 4.3499 0.0000 0.0000 64.3714 31.5689 177.2910 11 N 4.4626 9.5826 116.9617 53.8515 38.0818 176.4233 12 L 4.0794 7.4555 118.5118 57.0098 41.8061 178.7374 13 N 4.4437 8.0081 114.9125 55.1327 37.6351 175.5087 14 M 4.2707 8.0439 118.2357 55.3188 32.5032 176.0330 15 L 4.0890 7.6733 120.3836 56.4760 42.1381 177.8957 16 G 4.0303 8.8105 109.9398 46.3963 0.0000 173.6473 17 K 4.3584 7.8863 116.9794 56.1289 32.3666 176.2332 *26 Q 4.0525 7.8533 117.1473 56.1250 29.7745 175.0556 27 T 4.7033 8.1702 111.4198 59.3475 72.0083 175.6370 28 L 3.7685 8.1016 122.1388 58.3223 41.9946 178.6747 29 S 4.1173 7.8192 113.8591 60.7858 62.2901 175.6069 30 D 4.1756 7.7679 121.4010 57.4206 40.5810 179.0036 31 I 3.5497 7.2808 119.9799 64.2236 36.6995 178.2917 32 E 3.6419 7.9827 119.6177 59.5173 29.1096 179.5708 33 Q 3.9157 8.0024 118.2333 59.1905 28.6172 178.5884 34 H 4.2834 8.1564 117.2976 58.8785 28.6369 177.9138 35 L 4.0125 8.0174 120.8807 57.5832 41.3766 179.3427 36 Q 4.0154 8.1542 119.7880 59.0671 29.0461 177.8940 37 Q 3.9803 8.3375 120.8101 59.5486 29.1545 178.6339 38 S 4.1572 8.4385 116.1483 61.3499 62.7869 176.5581 39 A 4.0630 8.3905 123.8841 55.3806 18.1866 179.6797 40 Q 4.2132 8.6552 117.7583 58.5552 28.5672 178.9480 41 A 4.1749 7.9039 120.6138 54.2080 18.3988 178.5857 42 Q 4.6402 7.5582 113.8472 55.3939 29.3240 176.2571 43 G 3.8633 8.1711 108.0210 45.5923 0.0000 172.9422 44 Y 4.6891 8.2516 116.5463 55.9107 41.4631 174.3914 45 E 4.8426 8.8899 121.1427 54.7596 32.0462 174.8935 46 L 5.3081 8.5623 125.0419 53.5305 45.0212 175.1189 47 D 5.2357 9.1178 125.5390 52.8801 44.1136 174.7054 48 Y 5.5557 7.6004 117.0569 56.0301 41.5587 173.9819 49 F 4.9684 9.1220 121.1537 57.4852 43.4276 172.6127 50 Q 5.4274 7.6398 124.1075 54.0701 32.0759 173.3141 51 A 4.4598 8.3184 124.9004 51.2179 22.3213 175.6091 52 N 4.7840 8.8153 115.1075 53.0414 39.2833 175.8729 53 G 4.5221 7.7061 104.4899 42.0665 0.0000 173.6573 54 E 3.7622 8.6097 121.3385 59.0686 29.4361 179.2961 55 E 3.8605 8.1184 118.7624 59.4655 29.7690 178.9140 56 S 4.1857 8.0767 114.5021 61.6868 63.0382 176.5980 57 L 4.1773 8.0539 121.6104 57.9371 41.3115 179.6765 58 I 3.5832 8.2695 120.0914 64.3333 37.0013 178.2132 59 N 4.1939 8.2814 117.5830 56.3035 38.1183 177.4581 60 R 3.8910 7.3517 120.3320 58.6603 30.3191 178.3872 61 I 3.8075 7.6543 119.6800 64.7309 37.1489 178.0886 62 H 4.2235 8.3379 117.3194 59.0517 28.0718 177.8964 63 Q 4.0854 8.3167 119.3226 58.3330 28.4887 177.9293 64 A 4.5480 7.8353 122.1043 51.0931 18.7744 176.9113 65 F 4.5505 7.5900 120.0689 60.0300 39.6508 174.9283 66 Q 3.4502 8.9339 124.5979 56.4524 25.8555 173.4704 67 N 5.0036 8.3173 112.9073 52.1347 38.9685 173.8784 68 T 4.8012 7.8268 115.3263 62.1778 71.4555 173.2724 69 D 4.8662 8.9422 125.0393 55.4525 42.2483 176.5064 70 F 4.8231 7.9830 118.9870 57.0276 43.1369 172.6475 71 I 5.1995 8.3404 125.2975 59.6286 40.8099 174.4245 72 I 5.1614 9.0909 127.2990 59.6960 39.7350 174.4686 73 I 5.1355 9.0792 127.4111 59.2349 41.6939 173.4888 74 N 5.3728 9.0912 128.0600 50.5124 40.0005 172.9883 75 P 4.5411 0.0000 0.0000 62.4329 32.8065 178.1761 76 G 3.7605 8.5484 107.8947 45.7701 0.0000 175.5963 77 A 4.0477 8.4832 121.0983 55.3398 18.6591 179.6591 78 F 4.9264 7.6696 113.5531 59.7761 39.3689 177.5813 79 T 3.9450 8.2540 118.4421 66.7052 68.2708 175.4340 80 H 4.9354 8.0826 116.1554 56.4704 29.5080 175.8196 81 T 4.6846 7.9996 107.7418 61.3351 70.4902 173.1502 82 S 4.5940 8.3532 117.8145 56.7649 61.2012 174.2595 83 V 3.1966 7.6147 127.2129 65.1136 31.3342 177.1889 84 A 3.8626 7.6748 120.3705 55.1754 18.2428 179.5272 85 I 3.6047 7.8053 118.3917 64.1233 37.1501 178.5199 86 R 3.8402 7.6049 119.5226 59.7632 29.9633 178.4539 87 D 4.3539 8.3726 118.4429 56.9706 40.5595 178.7262 88 A 3.9655 7.8041 121.6936 55.0796 17.3987 179.6804 89 L 3.8360 7.8857 117.5360 57.9033 41.2085 179.8048 90 L 4.1875 8.0984 118.7515 57.6019 41.2858 179.3673 91 A 3.8882 7.8061 120.1546 54.7154 18.3947 179.2401 92 V 3.3785 7.3412 108.2287 60.5499 32.4924 176.1189 93 S 3.7615 7.5351 113.5594 59.7243 60.9562 172.3984 94 I 4.4755 7.0310 116.7190 58.5091 39.1055 174.5973 95 P 4.5250 0.0000 0.0000 63.0818 32.5259 175.1399 96 F 5.0976 7.9253 115.0032 55.5355 41.8742 172.4470 97 I 4.9017 8.9487 119.7016 59.2580 40.9953 173.5972 98 E 5.0630 8.9071 130.1521 55.1238 31.2966 174.8249 99 V 4.7988 8.5859 125.8215 61.4174 35.3964 173.7977 100 H 4.8692 8.8712 123.1125 54.1237 32.5212 174.2820 101 L 4.1012 8.9260 123.4657 57.7974 42.4432 177.9645 102 S 4.5890 7.9504 111.1372 57.0612 64.6582 173.5671 103 N 4.6038 8.2869 119.5973 52.1882 37.8866 175.5496 104 V 3.5985 8.1442 120.2566 64.5177 31.8736 178.6436 105 H 4.0240 7.9636 115.4262 57.7978 28.5557 175.8941 106 A 4.4234 7.8755 120.5358 52.1404 19.2753 177.0590 107 R 4.6752 7.0975 115.8311 54.3608 32.7066 175.8314 108 E 3.8768 8.1767 117.2120 56.6414 30.1095 176.2062 109 P 3.5376 0.0000 0.0000 65.5056 31.4856 178.5906 110 F 4.3075 7.7026 111.2382 58.9096 37.8823 175.8710 111 R 3.7399 7.1594 119.4371 56.7443 30.1062 176.7138 112 H 4.5143 7.9815 114.9404 56.7709 29.1071 174.5860 113 H 4.8907 7.9756 119.1269 53.9996 31.9962 172.7377 114 S 4.8130 7.8693 119.4525 56.8388 64.8870 173.1227 115 Y 4.5581 8.8969 124.2056 58.5590 38.2206 175.9382 116 L 4.8230 8.2022 120.7764 55.8452 44.1938 178.7121 117 S 4.2289 7.8213 115.7173 61.7946 62.8146 176.5976 118 D 4.4222 8.1523 116.9394 55.2949 39.3605 177.0101 119 V 4.2095 7.7732 111.1371 60.8753 32.4473 175.6087 120 A 2.9411 7.2587 123.1605 50.5376 19.4277 177.7723 121 K 4.0446 8.3884 122.4615 59.5584 33.0643 176.7559 122 G 3.9840 7.3317 104.5852 45.6886 0.0000 172.1797 123 V 5.1317 8.1579 118.6098 61.0612 34.9419 174.4495 124 I 4.6987 8.7734 127.6850 59.5618 40.2128 174.1979 125 C 5.1163 8.7870 121.5168 57.7497 31.9795 174.6018 126 G 3.9755 9.2717 111.4957 45.4124 0.0000 173.4727 127 L 4.5631 7.9490 118.9746 53.8673 42.9422 177.5688 128 G 3.9826 8.0965 108.2283 46.2542 0.0000 176.0395 129 A 4.2787 8.5662 120.5901 55.0598 19.0148 179.9880 130 K 4.0886 7.2811 115.9337 58.7829 31.8994 179.4841 131 G 3.6914 7.9683 106.0034 48.1349 0.0000 175.3582 132 Y 4.0970 8.0100 118.5681 60.7273 37.5855 178.1161 133 D 4.3223 7.8084 119.4695 57.6811 40.9066 178.3167 134 Y 4.4659 7.5161 116.9221 60.9952 37.7924 178.2894 135 A 4.0915 8.2446 121.8441 55.1222 18.4934 179.4917 136 L 3.8715 8.1019 118.8570 58.2341 42.1833 178.5902 137 D 4.2756 8.1880 118.0790 57.2909 41.0624 178.0667 138 F 4.1298 8.8133 122.4300 60.5714 39.3645 176.7421 139 A 2.5800 7.8064 120.3831 54.8382 18.0818 179.6771 140 I 3.0357 7.3160 118.2568 64.2862 36.5877 178.8739 141 S 4.1899 7.8550 115.0748 61.4435 62.5805 176.4874 142 E 3.7832 7.8176 122.4328 59.0530 28.9269 179.2725 143 L 4.0797 7.6870 118.1863 57.7049 41.7339 179.2375 144 Q 4.2071 7.9838 117.3543 58.4273 28.6576 178.4448 145 K 4.1365 7.3701 118.3132 59.3270 32.2245 177.6101 146 I 4.0359 7.3449 123.4145 61.6199 37.1639 175.7933 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 4.19 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 2 K 7.82 3.96 0.00 1.77 1.65 0.00 1.21 0.00 0.00 0.64 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.36 7.81 3 K 10.05 5.29 0.00 1.72 1.75 0.00 1.90 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.54 7.81 4 I 8.94 5.14 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 1.10 0.00 0.00 5 L 9.07 5.22 0.00 1.80 1.58 1.00 0.75 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 6 L 9.16 5.23 0.00 1.95 1.85 1.23 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.38 5.58 0.00 1.66 1.65 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.25 5.42 0.00 2.64 2.70 0.00 0.00 6.60 7.20 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 9 G 8.91 4.20 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 0.00 0.00 0.00 10 P 0.00 4.35 0.00 1.90 1.95 0.00 3.72 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 11 N 9.58 4.46 0.00 2.88 3.00 0.00 0.00 6.93 6.28 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 12 L 7.46 4.08 0.00 1.79 1.72 1.13 0.57 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 13 N 8.01 4.44 0.00 2.78 3.09 0.00 0.00 6.06 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 14 M 8.04 4.27 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 15 L 7.67 4.09 0.00 1.77 1.76 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.81 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.89 4.36 0.00 1.83 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.50 7.81 *26 Q 7.85 4.05 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 27 T 8.17 4.70 4.18 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 1.17 0.00 0.00 28 L 8.10 3.77 0.00 1.89 1.61 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.82 4.12 0.00 3.83 3.75 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 30 D 7.77 4.18 0.00 2.83 2.55 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 31 I 7.28 3.55 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.14 0.00 0.00 32 E 7.98 3.64 0.00 1.41 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.24 0.00 33 Q 8.00 3.92 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 34 H 8.16 4.28 0.00 3.34 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.02 4.01 0.00 1.87 1.76 0.93 0.90 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 36 Q 8.15 4.02 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 37 Q 8.34 3.98 0.00 2.28 2.30 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 2.38 2.43 0.00 38 S 8.44 4.16 0.00 3.90 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 39 A 8.39 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.66 4.21 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 41 A 7.90 4.17 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 42 Q 7.56 4.64 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 43 G 8.17 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 0.00 0.00 0.00 44 Y 8.25 4.69 0.00 3.05 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 45 E 8.89 4.84 0.00 1.98 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 2.27 2.24 0.00 46 L 8.56 5.31 0.00 1.71 1.61 1.02 1.38 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 47 D 9.12 5.24 0.00 2.65 2.48 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 48 Y 7.60 5.56 0.00 2.93 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 49 F 9.12 4.97 0.00 3.10 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 50 Q 7.64 5.43 0.00 1.96 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 51 A 8.32 4.46 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.82 4.78 0.00 2.72 2.82 0.00 0.00 6.63 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 53 G 7.71 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 0.00 0.00 0.00 0.00 54 E 8.61 3.76 0.00 1.80 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 1.59 1.47 0.00 55 E 8.12 3.86 0.00 2.01 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 2.38 2.39 0.00 56 S 8.08 4.19 0.00 4.21 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 57 L 8.05 4.18 0.00 1.80 1.81 1.24 1.24 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 58 I 8.27 3.58 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.60 0.00 0.00 59 N 8.28 4.19 0.00 2.84 2.79 0.00 0.00 6.67 8.43 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 60 R 7.35 3.89 0.00 0.71 1.69 0.00 2.95 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.32 0.00 61 I 7.65 3.81 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.88 0.00 0.00 62 H 8.34 4.22 0.00 3.26 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.32 4.09 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 64 A 7.84 4.55 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 65 F 7.59 4.55 0.00 2.98 3.03 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 0.00 0.00 0.00 66 Q 8.93 3.45 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 67 N 8.32 5.00 0.00 2.89 2.94 0.00 0.00 6.75 7.29 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 68 T 7.83 4.80 4.41 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 1.32 0.00 0.00 69 D 8.94 4.87 0.00 2.77 2.84 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 70 F 7.98 4.82 0.00 3.14 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 71 I 8.34 5.20 1.93 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 1.30 0.97 1.02 0.00 0.00 72 I 9.09 5.16 2.08 0.00 0.00 1.00 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 0.96 1.09 0.00 0.00 73 I 9.08 5.14 1.91 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 1.25 1.71 0.96 0.00 0.00 74 N 9.09 5.37 0.00 2.82 3.03 0.00 0.00 7.10 7.57 0.00 0.00 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 P 0.00 4.54 0.00 2.43 2.19 0.00 3.86 0.00 0.00 3.90 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 76 G 8.55 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 77 A 8.48 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.67 4.93 0.00 3.24 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 79 T 8.25 3.95 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 1.31 0.00 0.00 80 H 8.08 4.94 0.00 3.35 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.00 4.68 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 1.36 0.00 0.00 82 S 8.35 4.59 0.00 3.60 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.61 3.20 1.78 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 0.90 0.00 0.00 0.03 0.00 0.00 84 A 7.67 3.86 1.22 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 0.00 0.00 85 I 7.81 3.60 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.85 0.00 0.00 86 R 7.60 3.84 0.00 2.01 2.12 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 87 D 8.37 4.35 0.00 2.77 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 88 A 7.80 3.97 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 89 L 7.89 3.84 0.00 1.63 1.42 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.10 4.19 0.00 1.82 1.72 0.95 0.72 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 91 A 7.81 3.89 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 92 V 7.34 3.38 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 0.61 0.00 0.00 1.02 0.00 0.00 93 S 7.54 3.76 0.00 4.15 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 94 I 7.03 4.48 1.90 0.00 0.00 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 1.44 0.91 0.91 0.00 0.00 95 P 0.00 4.52 0.00 1.72 2.09 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 96 F 7.93 5.10 0.00 3.17 2.99 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 97 I 8.95 4.90 2.21 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 1.16 1.89 1.28 0.00 0.00 98 E 8.91 5.06 0.00 2.30 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 2.19 2.29 0.00 99 V 8.59 4.80 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 0.28 0.00 0.00 0.77 0.00 0.00 100 H 8.87 4.87 0.00 3.04 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.93 4.10 0.00 1.66 1.77 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.95 4.59 0.00 3.97 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 0.00 103 N 8.29 4.60 0.00 2.74 2.76 0.00 0.00 6.87 7.71 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 0.00 104 V 8.14 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 0.69 0.00 0.00 0.60 0.00 0.00 105 H 7.96 4.02 0.00 3.25 3.23 0.00 5.64 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 0.00 106 A 7.88 4.42 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 0.00 107 R 7.10 4.68 0.00 1.81 1.75 0.00 3.15 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 108 E 8.18 3.88 0.00 1.16 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 2.35 2.27 0.00 109 P 0.00 3.54 0.00 2.10 2.01 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 110 F 7.70 4.31 0.00 3.02 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 0.00 111 R 7.16 3.74 0.00 1.62 1.78 0.00 2.90 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.00 112 H 7.98 4.51 0.00 3.20 3.33 0.00 5.62 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 0.00 113 H 7.98 4.89 0.00 3.05 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.87 4.81 0.00 3.82 3.63 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 0.00 115 Y 8.90 4.56 0.00 3.10 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 0.00 116 L 8.20 4.82 0.00 2.01 2.04 0.91 0.73 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 0.00 117 S 7.82 4.23 0.00 4.04 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 0.00 118 D 8.15 4.42 0.00 2.81 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 0.00 119 V 7.77 4.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.24 0.00 0.00 120 A 7.26 2.94 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 0.00 121 K 8.39 4.04 0.00 1.76 2.11 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.39 0.00 0.00 0.00 0.00 2.10 1.76 7.81 122 G 7.33 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 0.00 0.00 0.00 123 V 8.16 5.13 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 0.94 0.00 0.00 0.97 0.00 0.00 124 I 8.77 4.70 1.82 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 1.24 0.50 0.96 0.00 0.00 125 C 8.79 5.12 0.00 2.92 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 0.00 126 G 9.27 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 0.00 0.00 0.00 127 L 7.95 4.56 0.00 1.80 1.79 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.10 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 0.00 0.00 0.00 129 A 8.57 4.28 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.28 4.09 0.00 1.91 1.40 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.47 7.81 131 G 7.97 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 0.00 132 Y 8.01 4.10 0.00 3.13 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 0.00 133 D 7.81 4.32 0.00 2.39 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.52 4.47 0.00 3.01 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 0.00 135 A 8.24 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.87 0.00 1.83 1.87 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.19 4.28 0.00 2.84 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 0.00 138 F 8.81 4.13 0.00 3.18 3.18 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 0.00 139 A 7.81 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.32 3.04 1.69 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 0.15 0.46 0.62 0.00 0.00 141 S 7.86 4.19 0.00 3.94 4.09 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 0.00 142 E 7.82 3.78 0.00 1.61 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 1.47 1.82 0.00 143 L 7.69 4.08 0.00 1.79 1.89 1.08 1.07 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 0.00 144 Q 7.98 4.21 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 145 K 7.37 4.14 0.00 1.92 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.69 7.81 146 I 7.34 4.04 2.04 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 1.41 0.69 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.