NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2401 8.1844 120.6293 54.5420 43.9166 176.8076 3 K 3.7952 7.9346 120.3858 55.4656 32.8808 173.1948 4 Q 5.1330 8.9850 126.1676 54.6951 30.7859 174.5455 5 V 4.7956 8.6975 121.9424 61.1607 36.1354 173.5040 6 E 4.7748 8.9771 122.9339 54.4284 32.7795 175.1656 7 I 4.9019 8.1001 124.2803 59.3575 41.0368 174.4999 8 F 5.4399 9.0720 124.4307 55.9857 42.3480 174.2964 9 T 5.3059 8.4864 111.9519 60.6905 72.3591 172.5663 10 D 4.6187 8.9043 118.8517 53.5867 45.1362 174.6109 11 G 4.6313 8.8398 111.7381 44.9123 0.0000 172.3027 12 S 4.8590 8.7633 114.5759 57.0577 66.3605 172.5974 13 C 5.1862 8.4166 125.6797 57.9644 33.9690 173.9618 14 L 4.2298 9.2148 126.1551 56.7170 41.8719 176.7697 15 G 4.0530 7.4381 105.3971 45.2607 0.0000 171.9479 16 N 5.0608 8.2345 112.2031 52.3863 39.3890 173.1430 17 P 4.6132 0.0000 0.0000 61.3698 34.0700 175.6644 18 G 3.9583 7.9206 104.9740 45.6784 0.0000 170.2427 19 P 4.9386 0.0000 0.0000 62.3828 32.4196 176.3900 20 G 4.4854 9.2890 110.5752 45.3446 0.0000 170.8762 21 G 4.7124 9.2964 106.4902 45.3920 0.0000 171.5434 22 Y 5.5653 8.3054 117.2223 55.0932 41.9467 174.8639 23 G 4.7129 9.4185 106.9658 44.8459 0.0000 171.4218 24 A 5.5730 9.5244 125.2406 50.5517 23.5130 174.9121 25 I 5.1267 9.4050 120.5183 59.5219 41.4301 174.1483 26 L 5.0344 9.5964 129.4999 53.3884 44.2934 174.7342 27 R 5.1431 9.2020 127.6313 54.7224 32.9465 173.8022 28 Y 4.8803 8.7757 127.1522 55.8249 41.8613 175.1525 29 R 3.2843 9.2625 128.8609 57.2741 28.4034 175.8663 30 G 4.2564 8.1702 108.5113 45.8338 0.0000 174.3201 31 R 4.0229 7.4419 119.0360 56.3765 30.6756 174.5289 32 E 5.2228 8.4388 122.7526 54.4126 33.1735 174.7787 33 K 4.5661 9.2246 124.4392 54.9552 36.0121 175.3603 34 T 5.0880 8.2436 120.6579 61.8435 71.4284 173.7250 35 F 5.1952 9.1235 122.7152 56.1620 43.3863 173.9206 36 S 4.9811 8.8881 114.1733 58.7936 65.3132 174.1813 37 A 4.2030 6.9970 119.9644 51.0625 22.3319 175.2902 38 G 4.2511 8.1093 107.1598 44.5136 0.0000 171.6303 39 Y 5.3858 9.2272 120.6373 55.8520 40.8701 177.0601 40 T 3.9008 8.8647 113.6260 64.6745 70.2142 173.9651 41 R 4.5303 7.8942 122.2560 56.0413 32.3856 173.5438 42 T 4.0726 8.7698 122.7385 61.4651 71.1234 172.1076 43 T 4.7862 7.8174 109.1276 58.9993 71.9881 174.1503 44 N 4.3017 8.5622 120.3452 56.7733 38.8697 176.9687 45 N 4.2419 7.8742 117.4896 56.4031 38.6071 177.3831 46 R 3.8457 7.6463 118.9504 59.5334 30.1286 179.1176 47 M 4.0653 8.1447 118.2721 58.1890 31.9220 178.6496 48 A 4.0921 8.2658 121.2048 55.0955 18.4709 179.7463 49 L 3.9062 7.8560 117.4728 58.0343 41.6970 179.2543 50 M 3.7073 8.0711 118.0337 58.4424 31.9396 177.8631 51 A 3.6413 7.8618 120.5107 55.2275 18.5730 179.5666 52 A 3.8828 7.5572 117.6003 55.1837 18.3925 179.8260 53 I 3.5566 7.8417 118.6295 64.5183 36.9871 178.7800 54 V 3.2752 7.5904 117.5264 65.8396 31.1546 177.5536 55 A 3.3806 7.2338 120.3099 54.9077 18.2893 179.6611 56 L 3.8214 7.7535 117.4418 57.8947 41.5335 179.3547 57 E 4.1273 8.1340 116.5157 58.2039 29.4808 178.4807 58 A 4.1713 7.3036 119.5754 52.9378 18.9422 177.7430 59 L 4.0638 7.2380 117.8976 54.8445 42.1336 177.1229 60 K 4.4674 8.3721 121.0726 55.8437 32.5357 175.2973 61 E 4.5543 7.3839 115.4978 55.1488 31.8931 174.2883 62 H 4.5889 8.5177 117.2689 56.3703 29.1520 174.8849 63 C 5.2117 9.0287 120.0820 57.7189 33.0160 172.4566 64 E 4.8465 9.0898 119.5496 55.1911 31.0514 175.1561 65 V 4.6758 8.6404 124.4929 60.7573 35.0660 173.9226 66 I 4.2653 7.9629 128.0751 59.3932 39.5389 173.8822 67 L 4.5248 8.0604 133.3117 53.3141 43.6826 174.7984 68 S 5.0852 8.4916 122.6511 57.2036 64.2415 172.7658 69 T 5.0756 8.7883 120.5210 60.8366 71.1372 173.4095 70 D 5.1316 8.8227 124.0439 53.0650 40.3172 176.3639 71 S 4.4222 8.1418 115.7214 58.4862 63.5043 174.5523 72 Q 3.9493 8.7983 129.8746 58.8542 28.9075 177.2821 73 Y 4.2365 8.0357 120.5800 60.7253 39.0100 177.8144 74 V 3.7404 7.9817 119.2806 65.7871 31.5529 177.7492 75 R 2.0000 7.3984 117.9575 59.0120 29.7011 178.4714 76 Q 3.1394 7.1546 117.3949 58.2898 28.4024 179.0094 77 G 2.6136 6.7230 106.0950 47.4985 0.0000 175.5383 78 I 3.6017 7.1894 121.7354 63.9872 37.2708 178.0137 79 T 4.1298 7.2669 107.2377 62.1890 68.8401 173.9109 80 Q 4.3704 6.7863 120.7993 56.6439 35.7007 176.0827 81 W 3.6040 7.2278 117.6656 59.4255 29.1335 178.3318 82 I 3.5886 6.9867 118.8247 64.6403 37.0153 176.9895 83 H 3.9796 7.7608 118.2333 59.2115 29.6048 176.6378 84 N 4.0751 7.6986 116.7071 56.1246 38.7239 176.7584 85 W 4.4409 7.6225 120.0111 59.8744 29.2610 178.3490 86 K 2.9100 6.9866 117.1518 59.3009 31.3232 178.7831 87 A 4.2860 7.0214 115.7550 52.6404 17.1200 177.7292 88 R 4.5362 7.5406 117.8350 56.5100 31.6392 175.7426 89 G 4.2447 9.1004 102.8494 46.2425 0.0000 174.2634 90 W 3.5262 8.1875 118.3567 56.6713 26.2328 173.7045 91 K 4.9746 8.0180 118.4856 54.9280 35.9283 177.9633 92 T 4.5640 8.5175 111.9434 61.1045 70.2890 174.6852 93 A 4.0954 8.7969 122.0898 54.9550 19.1282 178.2783 94 D 4.8545 7.6103 115.0414 53.5885 39.1519 176.8185 95 K 3.9611 7.9695 112.3506 58.0502 30.7031 175.7931 96 K 4.4753 7.5573 118.1449 54.6933 33.8321 174.7695 97 P 4.5988 0.0000 0.0000 63.1323 32.2058 176.1096 98 V 4.0748 7.9107 114.7589 59.1648 33.6262 175.7303 99 K 3.8625 8.5073 126.2849 57.9441 32.6313 175.8865 100 N 4.4812 9.0329 122.0895 54.4437 36.0762 176.7166 101 V 3.4414 7.4390 121.6606 64.9568 30.7834 177.0673 102 D 4.1929 7.9777 119.1731 56.2954 39.0643 178.4639 103 L 4.0563 7.6541 119.5481 56.9039 41.9601 179.0422 104 W 4.5138 8.2466 119.0563 59.9695 28.9941 178.6694 105 Q 3.8784 8.1621 118.3340 58.8115 28.0324 178.6021 106 R 3.9164 7.6650 119.6333 59.1907 30.0929 178.4043 107 L 4.0356 8.7021 120.6577 58.0630 42.1689 178.1178 108 D 4.6236 8.9172 118.3389 57.5044 40.9031 178.3351 109 A 4.0290 8.0679 119.8040 55.3209 18.6683 179.1557 110 A 4.1077 7.9001 118.9219 55.3566 18.4278 179.9135 111 L 4.1885 8.3546 117.8179 57.7719 41.6001 179.3474 112 G 3.8748 7.9049 102.9620 46.4794 0.0000 174.7483 113 Q 4.3350 7.5818 119.3934 56.7929 29.2504 174.5157 114 H 5.0697 7.6933 115.2399 54.1805 33.8725 173.1595 115 Q 4.4266 8.7484 117.9491 55.1896 29.3034 174.4904 116 I 4.4022 8.1491 125.4942 59.9073 38.9425 175.6911 117 K 4.4160 9.0372 127.2201 54.3573 34.1612 175.2442 118 W 4.3808 8.6640 125.7060 55.7850 30.3850 175.8485 119 E 4.1964 8.6834 126.3052 54.3072 30.8431 175.0055 120 W 4.8866 8.4416 128.4180 56.3336 28.7460 176.7457 121 V 4.2840 8.0954 119.7926 61.8512 34.0372 175.8109 122 K 4.1864 9.0666 117.5032 56.8736 33.3445 175.2033 123 G 3.7666 8.5565 122.6607 46.0282 0.0000 173.6409 *125 A 4.1163 7.5948 120.3524 51.7691 19.0994 176.6920 126 G 3.8647 7.9801 107.7504 45.5792 0.0000 171.1754 127 H 4.5287 8.3838 123.3221 54.4110 31.4232 174.1444 128 P 4.2466 0.0000 0.0000 65.5854 31.0536 179.1043 129 E 3.7079 7.6793 117.1806 59.3598 29.3095 178.8102 130 N 4.3964 7.9253 116.0176 56.2566 38.6183 176.9400 131 E 3.9515 7.9787 120.8022 59.2928 29.7690 178.8914 132 R 3.9298 7.9854 118.7835 59.5162 30.1102 178.3162 133 C 4.2347 8.2962 116.8956 62.7444 28.1529 175.4273 134 N 4.3878 8.3496 118.6716 56.8677 38.4386 176.7806 135 E 4.0645 8.1988 119.9464 59.3166 29.5466 179.3560 136 L 3.9647 8.0874 118.9008 57.5691 41.6579 179.4117 137 A 4.1175 8.5420 121.0566 55.4147 18.4605 179.9246 138 R 3.9120 8.5534 116.7495 59.3229 29.8712 179.1876 139 A 3.9774 8.0677 119.7039 55.0713 18.6676 179.2791 140 A 3.9884 8.0498 119.1059 55.1935 18.2459 179.7385 141 A 4.0789 8.2489 118.6985 55.2237 18.5158 178.8997 142 M 4.3179 7.6541 114.6441 55.8882 33.5406 176.3130 143 N 4.9837 7.8794 117.6529 51.4770 39.5143 172.6474 144 P 4.3434 0.0000 0.0000 63.2605 32.3663 176.8732 145 T 4.4985 8.3087 109.4388 60.8589 70.3105 173.3140 146 L 4.7776 7.2375 121.1424 52.8524 45.6068 174.3348 147 E 4.9318 8.5476 120.3893 54.8608 31.3553 176.0423 148 D 4.8002 8.5014 126.2953 52.5079 39.8858 176.2515 149 T 3.9309 8.3154 113.8162 64.1965 68.9621 176.4933 150 G 3.7474 8.0101 107.6936 46.0534 0.0000 172.4298 151 Y 4.3224 7.8700 122.4684 56.9282 39.1272 174.7469 152 Q 3.9752 8.0782 126.9669 53.9203 28.5995 175.5482 153 V 2.8465 7.5429 122.2324 64.3505 31.8826 175.8059 154 E 4.1720 8.6668 125.0779 56.9138 29.6909 174.1809 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 L 8.18 4.24 0.00 1.66 1.81 0.93 0.57 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 3 K 7.93 3.80 0.00 1.99 1.65 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.29 1.38 7.81 4 Q 8.98 5.13 0.00 2.09 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 5 V 8.70 4.80 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 0.99 0.00 0.00 0.89 0.00 0.00 6 E 8.98 4.77 0.00 1.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 7 I 8.10 4.90 1.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.78 0.00 0.00 8 F 9.07 5.44 0.00 2.99 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 9 T 8.49 5.31 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 1.25 0.00 0.00 10 D 8.90 4.62 0.00 2.85 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 11 G 8.84 4.63 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 0.00 0.00 0.00 12 S 8.76 4.86 0.00 3.93 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 13 C 8.42 5.19 0.00 2.93 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 14 L 9.21 4.23 0.00 1.64 1.71 0.92 0.70 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 15 G 7.44 4.05 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 0.00 0.00 0.00 16 N 8.23 5.06 0.00 2.66 2.68 0.00 0.00 6.85 7.69 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 17 P 0.00 4.61 0.00 2.01 1.88 0.00 3.97 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 18 G 7.92 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 19 P 0.00 4.94 0.00 2.09 2.00 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 20 G 9.29 4.49 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 0.00 21 G 9.30 4.71 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 0.00 0.00 0.00 22 Y 8.31 5.57 0.00 3.07 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 23 G 9.42 4.71 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 0.00 0.00 0.00 24 A 9.52 5.57 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 25 I 9.40 5.13 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 1.08 0.00 0.00 26 L 9.60 5.03 0.00 2.01 1.77 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.20 5.14 0.00 2.03 2.02 0.00 3.13 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 28 Y 8.78 4.88 0.00 3.03 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 29 R 9.26 3.28 0.00 0.67 1.19 0.00 3.15 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 30 G 8.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.44 4.02 0.00 1.85 2.06 0.00 3.11 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 32 E 8.44 5.22 0.00 1.98 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 2.19 2.36 0.00 33 K 9.22 4.57 0.00 1.81 1.33 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.42 7.81 34 T 8.24 5.09 4.14 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 1.22 0.00 0.00 35 F 9.12 5.20 0.00 3.06 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 36 S 8.89 4.98 0.00 3.78 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 37 A 7.00 4.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.11 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 0.00 0.00 0.00 0.00 39 Y 9.23 5.39 0.00 2.90 2.87 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 40 T 8.86 3.90 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 1.26 0.00 0.00 41 R 7.89 4.53 0.00 1.83 1.92 0.00 3.34 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 42 T 8.77 4.07 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 1.17 0.00 0.00 43 T 7.82 4.79 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 0.85 0.00 0.00 44 N 8.56 4.30 0.00 2.84 2.83 0.00 0.00 6.94 6.71 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 45 N 7.87 4.24 0.00 2.41 1.91 0.00 0.00 7.17 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 46 R 7.65 3.85 0.00 1.85 1.83 0.00 3.44 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 47 M 8.14 4.07 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.80 0.00 48 A 8.27 4.09 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 49 L 7.86 3.91 0.00 1.72 1.45 0.27 -0.20 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 50 M 8.07 3.71 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.55 0.00 51 A 7.86 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.56 3.88 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 53 I 7.84 3.56 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.82 0.00 0.00 54 V 7.59 3.28 1.66 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 0.40 0.00 0.00 0.64 0.00 0.00 55 A 7.23 3.38 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 56 L 7.75 3.82 0.00 1.82 1.69 0.88 0.51 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 57 E 8.13 4.13 0.00 1.83 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 2.31 2.51 0.00 58 A 7.30 4.17 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 59 L 7.24 4.06 0.00 1.75 1.55 0.52 0.63 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 60 K 8.37 4.47 0.00 1.68 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.33 7.81 61 E 7.38 4.55 0.00 1.98 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 0.00 2.10 2.26 0.00 62 H 8.52 4.59 0.00 3.04 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.03 5.21 0.00 2.69 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 64 E 9.09 4.85 0.00 2.01 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 0.00 2.38 2.20 0.00 65 V 8.64 4.68 1.80 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 0.63 0.00 0.00 0.72 0.00 0.00 66 I 7.96 4.27 1.72 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 0.88 1.22 0.70 0.00 0.00 67 L 8.06 4.52 0.00 0.92 0.45 0.07 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.49 5.09 0.00 4.01 3.71 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 69 T 8.79 5.08 4.47 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 1.65 0.00 0.00 70 D 8.82 5.13 0.00 2.90 2.83 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 0.00 0.00 0.00 0.00 71 S 8.14 4.42 0.00 4.09 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 72 Q 8.80 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 73 Y 8.04 4.24 0.00 3.23 3.10 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 0.00 0.00 0.00 74 V 7.98 3.74 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 1.05 0.00 0.00 1.03 0.00 0.00 75 R 7.40 2.00 0.00 0.94 1.39 0.00 2.38 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 76 Q 7.15 3.14 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.85 2.09 0.00 77 G 6.72 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 0.00 0.00 0.00 78 I 7.19 3.60 1.51 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 -0.24 0.58 0.00 0.00 79 T 7.27 4.13 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 1.07 0.00 0.00 80 Q 6.79 4.37 0.00 1.48 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.12 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 81 W 7.23 3.60 0.00 1.78 1.74 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 82 I 6.99 3.59 1.82 0.00 0.00 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 1.49 1.70 0.94 0.00 0.00 83 H 7.76 3.98 0.00 3.14 3.11 0.00 5.93 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 84 N 7.70 4.08 0.00 2.53 2.73 0.00 0.00 6.89 7.68 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 85 W 7.62 4.44 0.00 2.89 2.47 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 86 K 6.99 2.91 0.00 1.66 1.66 0.00 2.04 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.09 0.95 7.81 87 A 7.02 4.29 1.10 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 0.00 0.00 0.00 0.00 0.00 88 R 7.54 4.54 0.00 1.94 1.85 0.00 3.27 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 89 G 9.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.19 3.53 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.02 4.97 0.00 1.90 1.77 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.37 7.81 92 T 8.52 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 A 8.80 4.10 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 94 D 7.61 4.85 0.00 2.97 2.83 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 0.00 0.00 0.00 0.00 95 K 7.97 3.96 0.00 1.89 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.38 7.81 96 K 7.56 4.48 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.62 7.81 97 P 0.00 4.60 0.00 1.88 1.93 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 98 V 7.91 4.07 0.92 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 0.11 0.00 0.00 0.60 0.00 0.00 99 K 8.51 3.86 0.00 1.73 1.85 0.00 2.09 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.51 7.81 100 N 9.03 4.48 0.00 3.29 2.92 0.00 0.00 6.88 7.68 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 0.00 101 V 7.44 3.44 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 0.72 0.00 0.00 0.40 0.00 0.00 102 D 7.98 4.19 0.00 2.82 2.90 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 0.00 103 L 7.65 4.06 0.00 1.47 1.53 0.80 0.87 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 0.00 104 W 8.25 4.51 0.00 3.32 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.16 3.88 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.66 3.92 0.00 1.99 2.03 0.00 3.05 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 107 L 8.70 4.04 0.00 1.83 2.02 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.92 4.62 0.00 3.42 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 0.00 109 A 8.07 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 0.00 110 A 7.90 4.11 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 0.00 111 L 8.35 4.19 0.00 2.06 1.92 1.34 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.90 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 0.00 0.00 0.00 113 Q 7.58 4.33 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 114 H 7.69 5.07 0.00 2.96 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.75 4.43 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 116 I 8.15 4.40 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 -0.27 0.00 0.00 117 K 9.04 4.42 0.00 1.56 1.62 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.30 7.81 118 W 8.66 4.38 0.00 2.51 1.74 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 0.00 119 E 8.68 4.20 0.00 1.88 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 120 W 8.44 4.89 0.00 3.26 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 0.00 121 V 8.10 4.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.10 0.00 0.00 122 K 9.07 4.19 0.00 1.72 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.37 7.81 123 G 8.56 3.77 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 0.00 0.00 0.00 *125 A 7.59 4.12 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 0.00 126 G 7.98 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 0.00 127 H 8.38 4.53 0.00 3.46 3.44 0.00 5.83 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 0.00 128 P 0.00 4.25 0.00 2.05 2.04 0.00 3.52 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 2.06 2.13 0.00 129 E 7.68 3.71 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 1.99 0.00 130 N 7.93 4.40 0.00 2.98 2.96 0.00 0.00 6.73 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 0.00 131 E 7.98 3.95 0.00 2.14 1.93 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 2.32 2.46 0.00 132 R 7.99 3.93 0.00 2.02 2.00 0.00 3.32 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 133 C 8.30 4.23 0.00 3.29 3.24 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 0.00 134 N 8.35 4.39 0.00 3.18 3.02 0.00 0.00 7.24 7.07 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 0.00 135 E 8.20 4.06 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 2.34 2.69 0.00 136 L 8.09 3.96 0.00 1.96 1.74 0.98 0.61 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 0.00 137 A 8.54 4.12 1.54 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 0.00 138 R 8.55 3.91 0.00 1.82 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 139 A 8.07 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.05 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.25 4.08 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 0.00 142 M 7.65 4.32 0.00 2.02 2.23 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 2.61 2.75 0.00 143 N 7.88 4.98 0.00 2.60 2.63 0.00 0.00 7.14 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 0.00 144 P 0.00 4.34 0.00 2.24 2.13 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 145 T 8.31 4.50 4.16 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 1.21 0.00 0.00 146 L 7.24 4.78 0.00 1.05 1.46 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.55 4.93 0.00 1.96 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 2.29 2.34 0.00 148 D 8.50 4.80 0.00 2.66 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 0.00 149 T 8.32 3.93 4.26 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 1.32 0.00 0.00 150 G 8.01 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 0.00 0.00 0.00 151 Y 7.87 4.32 0.00 3.06 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 0.00 152 Q 8.08 3.98 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 153 V 7.54 2.85 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 0.81 0.00 0.00 0.84 0.00 0.00 154 E 8.67 4.17 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.