NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2434 8.3344 116.7841 58.3536 65.2446 173.3894 -7 D 5.2904 7.8923 127.7338 52.0793 41.8964 174.2891 -6 P 4.0310 0.0000 0.0000 65.9481 32.1348 178.3608 -5 S 4.9479 7.8124 109.3220 59.6840 62.7240 174.5853 -4 S 4.7954 8.4352 117.9784 58.5133 64.0999 176.0753 -3 I 4.5554 7.9208 121.6101 61.9897 38.5572 177.5955 -2 N 5.2031 7.6176 115.8376 52.2194 40.0841 175.8873 -1 G 3.9197 7.7884 105.1721 44.3934 0.0000 172.0187 -7 G 4.6104 7.8823 116.1338 42.9793 0.0000 172.8891 -6 I 3.7810 9.4899 128.1947 63.7481 38.8348 177.4608 -5 V 4.5979 7.5324 112.8220 63.5840 31.8240 176.2853 -4 V 4.4454 8.1552 121.4784 62.4133 33.1999 177.7753 -3 A 4.7054 8.1608 125.5101 53.3897 18.8572 178.9955 -2 M 4.9431 7.4976 116.7376 54.5194 34.0841 176.9873 -1 T 4.3097 7.6084 109.9721 61.0934 67.3926 171.8187 8 G 3.7785 8.6084 112.6378 44.7183 0.0000 172.8350 9 K 4.0942 8.7228 124.9055 56.0421 31.6230 177.2861 10 D 4.4200 8.4519 129.3899 54.6510 38.4930 173.4095 11 C 4.7408 7.1722 109.3244 57.8104 31.9541 172.8688 12 V 5.0086 8.1044 112.7147 59.8840 35.4358 174.5617 13 A 4.7003 8.3623 122.7067 50.4333 22.2998 175.3730 14 I 5.3273 8.0606 119.0770 59.6081 41.1776 173.9356 15 A 4.9392 8.4955 129.0075 50.8118 22.5539 174.1819 16 C 5.5403 8.3477 112.9647 57.4162 33.1554 172.8368 17 D 4.8190 8.4327 119.3289 52.3795 41.6770 176.0064 18 L 5.0925 8.2333 115.2430 53.5040 43.7676 176.7221 19 R 4.4894 8.0787 119.7862 56.4186 31.2885 176.1582 20 L 4.2404 8.5855 127.4801 54.2063 44.6926 174.4413 21 G 4.4229 8.2663 112.4196 44.5884 0.0000 170.4540 22 S 4.7674 8.9356 114.4730 56.9705 63.8767 173.8603 23 Q 3.4178 8.4433 130.0600 57.1430 26.9597 176.5020 24 S 4.1863 8.8154 119.5714 61.7654 63.3523 174.5867 25 L 3.9637 7.8398 124.1645 54.6928 42.0550 175.9988 26 G 4.0996 8.5554 115.6498 45.1917 0.0000 172.1622 27 V 4.1768 8.4886 121.6605 63.6005 33.6547 175.5710 28 S 4.7179 8.4782 114.1071 56.5131 64.9390 173.4219 29 N 5.2255 8.8557 123.1791 52.7722 37.3284 174.8661 30 K 4.5764 8.0025 114.4791 56.5650 34.2650 176.8719 31 F 4.4515 8.4253 124.8300 57.4663 38.8759 174.1849 32 E 4.1133 8.1859 124.3319 55.7025 30.3868 176.6806 33 K 4.3600 8.4459 120.5148 56.0094 34.1142 175.0471 34 I 4.8655 7.0916 120.8520 59.5437 39.6835 174.6738 35 F 4.9910 9.4689 124.3592 56.2091 44.0332 173.2552 36 H 4.6654 7.4153 112.1743 54.3653 30.7378 172.5490 *38 Y 4.5707 7.7757 117.2626 58.7296 38.8969 175.3490 39 G 3.9732 8.1939 117.0509 47.3160 0.0000 172.8640 40 H 4.7208 8.9127 120.7497 54.9628 28.9936 174.2806 41 V 4.3246 7.3848 121.1982 61.6432 33.3606 174.5061 42 F 5.0833 9.4712 126.6282 55.7528 41.9959 174.5448 43 L 5.3754 9.4311 124.0650 53.5861 45.3377 175.0710 44 G 4.5691 9.7223 114.2799 44.7666 0.0000 172.2356 45 I 5.1671 9.2969 124.9170 59.6514 40.0546 175.1431 46 T 4.5761 9.0762 117.2402 60.5435 71.4723 173.1097 47 G 3.8393 8.8355 107.4167 44.2088 0.0000 173.6606 48 L 3.9866 9.2048 126.1852 55.0276 42.4374 178.1228 49 A 4.1354 9.6067 129.2799 55.9498 18.0225 178.8077 50 T 3.8549 7.9739 110.6411 65.6611 67.4778 175.8711 51 D 4.3845 8.1881 120.2507 56.9980 41.0357 178.6516 52 V 3.6168 8.0961 119.1520 66.4425 31.6378 177.8544 53 T 3.8737 8.6090 115.5500 67.2097 68.3566 176.1443 54 T 3.7433 8.0813 117.3227 67.1147 68.6188 176.3817 55 L 3.3653 8.0637 120.6029 57.5268 41.4283 179.4910 56 N 4.2502 7.5543 117.7176 56.1844 38.9895 176.6585 57 E 3.8870 7.9361 119.9533 59.6568 29.4325 179.2342 58 M 3.7217 8.0714 118.2923 58.7558 32.3607 178.4518 59 F 4.4619 7.5249 117.6974 60.3862 38.9319 177.4700 60 R 3.8923 8.2417 120.2738 58.7597 30.0651 177.4824 61 Y 4.1000 8.0042 118.9170 60.9517 38.6911 178.8359 62 K 4.2198 8.7066 119.4969 59.9171 31.8486 179.5433 63 T 3.8737 8.4435 110.3147 64.7972 68.4312 176.1141 64 N 4.3671 8.7170 119.6455 56.2761 38.6017 177.1569 65 L 3.9345 7.7559 119.9315 58.0770 41.7542 178.8983 66 Y 4.0267 8.4328 119.6946 60.7617 38.5803 178.3914 67 K 4.4806 8.1086 121.7045 58.9307 32.1094 178.7506 68 L 3.9446 7.6870 118.2695 57.7793 41.6416 179.4831 69 K 4.0699 7.8913 116.9887 59.5224 32.2672 179.1641 70 E 3.8554 8.2452 117.2023 56.5375 29.8653 176.5273 71 E 3.8086 8.1891 117.5893 56.6525 27.4112 173.9298 72 R 4.3666 7.1351 111.2438 55.5634 31.7748 173.5155 73 A 4.4386 8.5442 122.0956 51.4842 19.3482 177.6216 74 I 3.8347 8.0988 121.3216 60.9530 38.9221 175.9930 75 E 4.5595 8.3137 124.9016 54.3828 32.3337 175.7765 76 P 4.2962 0.0000 0.0000 66.0629 31.3338 178.6716 77 E 3.9815 8.2671 116.6214 59.8750 29.2996 179.6013 78 T 3.8260 7.8251 114.8571 66.6057 68.6133 176.0645 79 F 4.0124 8.4558 122.9634 61.8723 39.2286 177.0695 80 T 3.6377 8.2796 115.3448 66.9591 68.2242 176.3801 81 Q 3.9154 7.6254 119.5141 58.7039 28.6605 178.6624 82 L 3.8216 7.8129 121.4739 58.0815 42.1633 179.0564 83 V 3.1540 7.6216 118.7353 65.8807 31.2735 177.6425 84 S 4.0498 8.1900 113.2970 61.6379 62.2052 176.3663 85 S 4.1588 8.2732 116.8747 61.4048 62.3836 176.4612 86 S 4.1658 8.2597 118.4809 61.5041 62.9602 176.4953 87 L 4.2420 8.0463 121.3582 58.1390 41.6495 178.9459 88 Y 4.0837 8.2015 119.0456 60.1619 38.3644 177.6561 89 E 4.1156 8.0163 118.9657 58.2302 30.0081 176.9481 90 R 4.4400 8.1178 118.6313 55.3554 30.9397 178.3173 91 R 3.1873 7.1102 120.1361 59.0425 29.8547 177.7163 92 F 4.9550 7.4496 114.4239 56.1423 39.8976 175.9354 93 G 4.8848 7.0627 113.8861 45.4374 0.0000 171.2942 94 P 4.0341 0.0000 0.0000 62.4514 32.3416 175.5164 95 Y 4.1118 7.6728 116.3186 57.4008 39.0016 176.8062 96 F 4.6872 8.9834 124.4818 56.4709 37.6989 174.8389 97 V 5.0437 7.8496 114.1371 59.6788 36.9169 175.7730 98 G 4.1203 9.3467 109.0352 44.1007 0.0000 169.3455 99 P 5.2100 0.0000 0.0000 62.1140 32.7251 175.6869 100 V 4.4494 9.4913 124.6382 61.0747 34.2983 174.0983 101 V 5.0648 8.6017 127.2697 61.2283 33.5974 174.5228 102 A 4.7516 9.3996 128.9966 50.0993 22.7473 175.2780 103 G 4.2396 7.8884 107.4237 46.6356 0.0000 172.0990 104 I 4.6479 8.2839 120.0601 59.0027 39.7836 175.6412 105 N 5.2063 8.7683 121.6198 53.4970 38.7869 174.3620 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 -8 S 8.33 4.24 0.00 3.84 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 -7 D 7.89 5.29 0.00 2.75 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 -6 P 0.00 4.03 0.00 1.44 1.40 0.00 3.34 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 0.74 1.57 0.00 -5 S 7.81 4.95 0.00 4.07 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 -4 S 8.44 4.80 0.00 3.87 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 -3 I 7.92 4.56 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.87 0.00 0.00 -2 N 7.62 5.20 0.00 2.73 2.71 0.00 0.00 7.67 7.61 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 -1 G 7.79 3.92 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 0.00 0.00 0.00 -7 G 7.88 4.61 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 -6 I 9.49 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.91 0.00 0.00 -5 V 7.53 4.60 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 0.88 0.00 0.00 0.93 0.00 0.00 -4 V 8.16 4.45 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 0.93 0.00 0.00 0.93 0.00 0.00 -3 A 8.16 4.71 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 -2 M 7.50 4.94 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 -1 T 7.61 4.31 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 1.21 0.00 0.00 8 G 8.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.72 4.09 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.51 7.81 10 D 8.45 4.42 0.00 2.83 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 11 C 7.17 4.74 0.00 3.00 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 12 V 8.10 5.01 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 0.77 0.00 0.00 0.90 0.00 0.00 13 A 8.36 4.70 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 14 I 8.06 5.33 1.83 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 1.28 1.05 0.77 0.00 0.00 15 A 8.50 4.94 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 16 C 8.35 5.54 0.00 3.04 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 17 D 8.43 4.82 0.00 2.72 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 18 L 8.23 5.09 0.00 1.60 1.73 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.08 4.49 0.00 1.85 1.99 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 20 L 8.59 4.24 0.00 1.44 1.54 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.27 4.42 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 0.00 22 S 8.94 4.77 0.00 3.77 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 23 Q 8.44 3.42 0.00 2.23 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.82 4.19 0.00 3.97 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 25 L 7.84 3.96 0.00 1.71 1.75 0.91 1.43 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 26 G 8.56 4.10 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 0.00 27 V 8.49 4.18 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 0.83 0.00 0.00 0.96 0.00 0.00 28 S 8.48 4.72 0.00 3.84 3.68 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 0.00 0.00 0.00 29 N 8.86 5.23 0.00 2.87 2.88 0.00 0.00 5.91 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 30 K 8.00 4.58 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.43 4.45 0.00 3.19 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 32 E 8.19 4.11 0.00 1.54 1.61 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 2.21 2.20 0.00 33 K 8.45 4.36 0.00 1.68 2.05 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.64 1.65 7.81 34 I 7.09 4.87 1.76 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 1.35 0.53 1.04 0.00 0.00 35 F 9.47 4.99 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.42 4.67 0.00 2.10 1.54 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.78 4.57 0.00 2.68 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 39 G 8.19 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 40 H 8.91 4.72 0.00 3.33 3.40 0.00 5.51 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.38 4.32 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 0.74 0.00 0.00 0.75 0.00 0.00 42 F 9.47 5.08 0.00 3.17 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 43 L 9.43 5.38 0.00 2.15 1.87 1.15 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.72 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 9.30 5.17 2.13 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 1.51 1.07 1.04 0.00 0.00 46 T 9.08 4.58 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 1.30 0.00 0.00 47 G 8.84 3.84 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 0.00 0.00 0.00 48 L 9.20 3.99 0.00 1.85 1.79 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.61 4.14 1.07 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 50 T 7.97 3.85 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 1.30 0.00 0.00 51 D 8.19 4.38 0.00 3.07 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 52 V 8.10 3.62 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 1.40 0.00 0.00 1.25 0.00 0.00 53 T 8.61 3.87 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 1.26 0.00 0.00 54 T 8.08 3.74 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 55 L 8.06 3.37 0.00 1.50 1.47 0.81 -0.52 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 56 N 7.55 4.25 0.00 1.51 2.44 0.00 0.00 7.07 7.09 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 57 E 7.94 3.89 0.00 2.10 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 2.31 2.41 0.00 58 M 8.07 3.72 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 59 F 7.52 4.46 0.00 2.90 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 60 R 8.24 3.89 0.00 2.15 2.15 0.00 3.22 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 61 Y 8.00 4.10 0.00 3.14 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 62 K 8.71 4.22 0.00 1.99 1.99 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.67 7.81 63 T 8.44 3.87 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 0.85 0.00 0.00 64 N 8.72 4.37 0.00 2.82 2.86 0.00 0.00 6.93 6.78 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 65 L 7.76 3.93 0.00 1.90 1.72 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.43 4.03 0.00 3.12 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 67 K 8.11 4.48 0.00 2.13 1.99 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.57 7.81 68 L 7.69 3.94 0.00 1.81 1.69 0.87 0.95 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 69 K 7.89 4.07 0.00 1.59 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.52 7.81 70 E 8.25 3.86 0.00 1.44 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 1.58 1.47 0.00 71 E 8.19 3.81 0.00 2.07 2.01 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 2.22 2.18 0.00 72 R 7.14 4.37 0.00 1.97 1.99 0.00 3.01 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 73 A 8.54 4.44 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 74 I 8.10 3.83 0.92 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.60 0.00 0.00 75 E 8.31 4.56 0.00 2.05 1.88 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 2.43 2.39 0.00 76 P 0.00 4.30 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 77 E 8.27 3.98 0.00 2.07 2.02 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 2.42 2.49 0.00 78 T 7.83 3.83 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 1.24 0.00 0.00 79 F 8.46 4.01 0.00 2.95 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 80 T 8.28 3.64 4.42 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 1.15 0.00 0.00 81 Q 7.63 3.92 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 82 L 7.81 3.82 0.00 1.63 1.51 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.62 3.15 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 0.73 0.00 0.00 -0.96 0.00 0.00 84 S 8.19 4.05 0.00 3.88 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 0.00 85 S 8.27 4.16 0.00 4.09 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 0.00 86 S 8.26 4.17 0.00 4.20 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 87 L 8.05 4.24 0.00 1.90 1.76 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.20 4.08 0.00 3.06 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 89 E 8.02 4.12 0.00 2.19 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 0.00 2.31 2.36 0.00 90 R 8.12 4.44 0.00 1.64 1.65 0.00 2.86 0.00 0.00 2.78 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.27 0.00 91 R 7.11 3.19 0.00 0.79 1.01 0.00 2.58 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.45 4.95 0.00 3.01 2.93 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 0.00 93 G 7.06 4.88 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 0.00 0.00 0.00 94 P 0.00 4.03 0.00 1.88 1.83 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 95 Y 7.67 4.11 0.00 2.87 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 96 F 8.98 4.69 0.00 3.06 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 97 V 7.85 5.04 2.18 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 0.79 0.00 0.00 1.06 0.00 0.00 98 G 9.35 4.12 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 0.00 0.00 0.00 99 P 0.00 5.21 0.00 1.99 2.10 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 100 V 9.49 4.45 2.16 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 0.99 0.00 0.00 0.98 0.00 0.00 101 V 8.60 5.06 2.14 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 1.07 0.00 0.00 1.01 0.00 0.00 102 A 9.40 4.75 1.20 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 0.00 103 G 7.89 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 0.00 104 I 8.28 4.65 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.93 0.00 0.00 105 N 8.77 5.21 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.