NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2821 8.3149 121.7918 55.6646 32.5894 175.4411 7 L 4.0728 8.4948 126.8242 53.5407 42.4818 175.1029 8 H 5.1212 9.4988 117.7632 53.7440 32.7027 172.3559 9 K 4.6702 8.6891 120.5739 56.2005 33.1567 176.0578 10 E 4.9555 9.2014 123.1886 53.7295 33.6208 173.7979 11 P 5.0209 0.0000 0.0000 63.2640 32.5334 174.8278 12 A 4.8970 8.3747 121.4531 51.5170 22.9769 175.6512 13 T 4.6444 8.6645 115.1288 61.3696 72.3347 173.7496 14 L 4.2049 8.6693 128.2054 55.7860 42.3498 175.5189 15 I 4.3497 8.6284 126.8968 62.3004 38.5322 175.8134 16 K 4.6016 7.6376 120.9078 55.2365 35.6574 173.7847 17 A 4.6154 8.6275 129.9312 51.6185 19.6490 177.0871 18 I 4.1437 8.0241 123.6408 62.8515 38.1454 174.9110 19 D 4.4696 7.4121 117.3034 53.3853 43.7910 175.8246 20 G 3.7167 8.8654 109.1828 47.7973 0.0000 174.0261 21 D 4.8886 8.0638 116.6525 52.9807 40.3120 175.1451 22 T 5.1718 7.7543 116.0871 62.4411 72.6874 173.3404 23 V 4.7493 9.0865 119.1013 59.4289 36.5994 174.2788 24 K 4.9580 9.3761 125.6476 55.3517 33.6091 175.3806 25 L 5.3176 9.3135 126.8811 53.1269 46.5348 175.1875 26 M 4.8393 9.3362 121.8797 54.8053 33.6751 174.3131 27 Y 5.0055 9.0188 127.9309 55.9622 42.0383 175.5509 28 K 3.4213 9.3251 127.8347 57.5243 29.6758 175.9277 29 G 3.9268 8.2358 103.2211 45.5119 0.0000 172.7479 30 Q 4.7993 7.7898 121.5320 52.9873 32.0922 172.8641 31 P 4.9075 0.0000 0.0000 63.4153 32.0520 175.2726 32 M 4.8961 9.7658 123.3456 54.0995 36.4181 173.7007 33 T 4.8144 8.4766 121.5140 63.1000 70.3828 173.4428 34 F 5.0669 9.6925 125.0924 55.6143 42.2014 174.2224 35 R 4.8961 8.8487 124.1895 54.4595 31.8283 175.2056 36 L 4.3141 8.7687 127.7717 54.5203 42.2320 177.3922 37 L 3.8642 8.6433 125.0690 56.1289 42.2743 178.0176 38 L 3.8691 8.7787 120.0871 55.2240 39.4283 174.0444 39 V 4.8984 7.2627 109.7856 59.5185 35.1625 174.9783 40 D 4.9135 9.1604 123.4865 52.8531 43.3825 175.5471 41 T 4.6888 8.3717 113.8801 59.3158 70.9339 173.1162 42 P 4.3998 0.0000 0.0000 63.0154 32.2144 175.5920 43 E 4.6045 9.9886 122.5691 55.2475 31.2830 177.0221 44 T 4.2487 8.3044 110.2284 62.3374 70.6060 175.7635 45 K 4.5049 7.5691 121.4389 55.3390 31.7687 176.0706 46 H 5.2992 7.6798 117.3122 54.2851 31.0351 172.7195 47 P 4.3404 0.0000 0.0000 65.5167 31.4152 177.2768 48 K 4.2681 7.8919 114.6385 58.2455 32.3588 177.5003 49 K 4.1019 7.5058 119.5948 55.0500 34.0404 178.5590 50 G 4.1677 7.8683 109.1526 45.4155 0.0000 173.8524 51 V 4.3886 8.5969 126.3311 61.4796 33.0432 174.4353 52 E 4.6228 8.9913 128.3766 54.2843 32.2984 175.5737 53 K 4.0982 8.2747 123.1766 58.1475 32.5841 176.7337 54 Y 4.3281 8.2004 123.5963 59.3552 36.0314 171.0293 55 G 3.7384 8.1955 107.5151 47.5053 0.0000 174.0657 56 P 4.2665 0.0000 0.0000 64.9051 31.4858 178.6742 57 E 3.9827 8.1492 116.7069 59.4805 29.5773 179.0555 58 A 4.0277 8.6485 121.1145 55.2036 18.4635 179.6883 59 S 4.1434 8.4631 111.7185 61.4956 62.4892 176.2800 60 A 4.0807 8.6090 123.9431 54.7359 17.9584 179.4941 61 F 3.9423 8.4644 119.6782 61.8150 39.5369 177.3752 62 T 3.9297 8.1757 115.3626 66.5589 68.2123 176.1865 63 K 3.8507 7.8758 120.8006 59.6907 32.2474 178.8105 64 K 3.8400 8.1211 118.4833 59.6138 31.7554 179.0208 65 M 3.8387 7.7492 117.3864 58.7094 32.4229 178.0366 66 I 3.9264 7.8473 119.8356 64.2446 37.1812 178.2106 67 E 4.0290 8.7064 118.9404 58.9543 29.3078 178.1339 68 N 4.6793 7.8952 113.6555 52.2804 39.1321 175.0198 69 A 4.5936 7.0118 123.9404 51.2812 19.8503 178.3929 70 K 4.1847 8.9716 120.4456 58.6878 32.6752 178.3766 71 K 4.6385 8.7026 117.9513 54.5628 36.3645 175.7064 72 V 4.9258 8.4775 124.3418 61.2063 34.1520 174.0530 73 E 5.1855 9.2072 126.0264 54.7066 33.9423 174.9221 74 V 4.6610 8.9859 115.6629 59.5091 35.0280 174.7016 75 E 5.1429 8.8185 124.5274 53.2374 31.9774 175.1147 76 F 4.6584 8.8140 125.7800 57.6737 40.0544 175.9418 77 D 4.9445 8.5478 121.0261 53.6390 43.1684 175.6700 78 K 4.4674 8.6712 116.7632 57.3048 34.1491 177.7893 79 G 4.1494 8.3095 112.4030 44.9605 0.0000 174.0490 80 Q 4.0575 8.6885 123.1421 56.7055 29.2930 176.4349 81 R 4.7530 8.4780 118.8841 56.3380 31.8083 175.6035 82 T 5.1835 7.6817 108.4094 59.9658 72.3801 173.4950 83 D 4.9562 8.8287 123.5191 51.8842 42.1891 176.8824 84 K 3.9007 8.6816 116.4156 59.5096 32.6532 176.9607 85 Y 4.2554 8.1980 116.0603 57.7144 37.9355 176.2721 86 G 3.9297 8.2674 108.4785 45.2258 0.0000 173.9439 87 R 4.3340 8.4284 120.1083 55.0993 31.5526 176.5065 88 G 3.4573 8.3798 111.2271 46.2176 0.0000 172.4637 89 L 5.2774 8.8030 123.9460 53.1609 43.2613 175.5665 90 A 4.4793 8.3990 124.8920 50.9507 23.6042 173.9775 91 Y 4.8089 8.5676 117.1799 57.2372 39.7959 175.1848 92 I 4.7851 8.7756 124.6041 59.6600 40.3053 174.0493 93 Y 5.0738 9.1834 124.2456 56.0576 40.9748 174.5293 94 A 4.8855 9.3195 126.2026 50.1067 21.2058 176.3298 95 D 4.3501 10.1364 125.2150 55.9839 39.1010 175.5090 96 G 4.0185 8.6104 106.1961 44.9821 0.0000 173.6337 97 K 4.6014 7.9525 119.8866 54.6135 34.2485 175.1882 98 M 4.0005 8.4432 122.8318 54.8490 33.0442 177.0346 99 V 3.6333 8.6389 127.5001 66.3059 31.5931 177.6944 100 N 4.3351 7.9694 115.6775 56.2816 38.3463 176.8614 101 E 3.8577 8.0362 120.0372 58.9559 29.8229 178.2650 102 A 4.0284 8.1012 120.9198 55.3949 18.3838 179.6516 103 L 3.4568 7.9916 117.2647 57.7316 41.6566 180.0096 104 V 3.7995 7.4189 119.6438 65.4985 31.2841 178.0575 105 R 3.9217 8.4919 118.2409 59.1701 29.9530 177.5242 106 Q 4.3340 7.7718 115.2305 55.0233 29.1452 175.9222 107 G 3.8610 8.1216 108.7050 46.8874 0.0000 174.8103 108 L 4.4919 7.8604 116.8609 53.8069 42.8368 176.3367 109 A 4.6733 7.3986 119.7254 50.8132 22.6907 175.9011 110 K 4.8870 8.5792 119.9368 54.6409 35.0451 176.1432 111 V 4.2244 8.9997 123.6783 62.7400 31.9436 176.0534 112 A 3.9886 8.7267 130.6803 51.4566 19.6314 176.1406 113 Y 4.3282 7.4701 116.6642 57.9916 38.4068 175.7337 114 V 4.0434 8.1851 124.4381 61.3963 33.0920 174.5416 115 Y 4.6210 8.2216 124.8581 55.9221 38.1953 175.4568 116 K 4.4492 8.5655 124.7651 56.1809 32.7215 175.2874 117 P 4.7580 0.0000 0.0000 63.0947 31.8131 176.9671 118 N 4.9119 8.0826 119.1298 52.3110 36.9513 174.9141 119 N 5.1787 7.7788 113.7009 52.9848 39.0115 177.6178 120 T 3.8656 8.6340 118.4068 67.5032 68.7470 174.9453 121 H 4.8649 8.0091 116.3478 55.6997 29.1057 176.5095 122 E 4.0155 8.3591 123.8269 59.5758 29.3229 179.0444 123 Q 3.9826 8.0327 117.5931 59.1173 28.9253 177.7677 124 H 4.2258 8.2529 118.7774 59.5284 29.8260 177.1509 125 L 3.9552 8.0184 120.6165 57.7868 41.4180 179.7283 126 R 3.9366 8.1891 118.1463 58.9582 29.8181 179.2112 127 K 4.0424 8.1125 118.6041 59.3592 32.0623 179.5832 128 S 4.1483 8.1050 115.6083 61.3780 62.6871 176.3304 129 E 3.9660 8.5004 122.2326 59.0685 29.3677 178.6452 130 A 3.7625 7.8894 120.9455 54.9340 18.3372 179.3708 131 Q 3.7689 7.8382 117.5428 59.4042 29.1257 178.2939 132 A 3.9729 7.8766 121.6919 55.0928 18.3302 179.8273 133 K 3.2240 7.7038 116.7875 59.2825 31.8516 179.1256 134 K 3.7322 7.8581 118.8206 59.8199 32.1306 177.8151 135 E 4.1631 8.6173 115.7316 55.8312 29.9829 176.4778 136 K 4.1236 8.2285 117.9209 57.2854 30.4546 175.6429 137 L 4.3192 8.3102 118.4266 55.5689 44.3807 178.0968 138 N 3.7779 9.4433 119.4190 54.1318 37.9013 176.3446 139 I 2.9513 5.4200 125.7953 64.4895 37.6765 176.7217 140 W 4.8952 7.8776 117.7198 56.6028 29.3536 176.4774 141 S 4.4738 7.9973 119.3909 58.4535 62.6910 173.9486 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 6 K 8.31 4.28 0.00 1.74 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 7 L 8.49 4.07 0.00 1.84 1.75 1.03 0.89 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 8 H 9.50 5.12 0.00 3.17 3.39 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.69 4.67 0.00 1.58 1.68 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.26 7.81 10 E 9.20 4.96 0.00 2.08 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 2.23 2.18 0.00 11 P 0.00 5.02 0.00 2.09 2.06 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 12 A 8.37 4.90 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 13 T 8.66 4.64 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 14 L 8.67 4.20 0.00 1.63 1.57 0.92 1.01 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 15 I 8.63 4.35 2.05 0.00 0.00 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 1.15 0.84 0.94 0.00 0.00 16 K 7.64 4.60 0.00 1.81 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.63 4.62 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 18 I 8.02 4.14 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 1.19 0.53 0.90 0.00 0.00 19 D 7.41 4.47 0.00 2.68 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 20 G 8.87 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 21 D 8.06 4.89 0.00 2.79 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 22 T 7.75 5.17 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 1.26 0.00 0.00 23 V 9.09 4.75 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 0.95 0.00 0.00 24 K 9.38 4.96 0.00 1.83 1.87 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 L 9.31 5.32 0.00 1.68 1.60 0.31 0.46 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 26 M 9.34 4.84 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.02 5.01 0.00 3.24 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 28 K 9.33 3.42 0.00 1.58 1.58 0.00 1.65 0.00 0.00 1.35 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.30 0.56 7.81 29 G 8.24 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 0.00 0.00 0.00 30 Q 7.79 4.80 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 31 P 0.00 4.91 0.00 2.16 2.10 0.00 3.81 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 2.02 2.00 0.00 32 M 9.77 4.90 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 33 T 8.48 4.81 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 1.22 0.00 0.00 34 F 9.69 5.07 0.00 3.02 2.85 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 35 R 8.85 4.90 0.00 1.91 1.79 0.00 3.35 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 L 8.77 4.31 0.00 1.54 1.60 0.97 0.86 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 37 L 8.64 3.86 0.00 1.15 1.30 0.39 0.69 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 38 L 8.78 3.87 0.00 1.97 1.85 1.15 1.01 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 39 V 7.26 4.90 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 0.74 0.00 0.00 0.91 0.00 0.00 40 D 9.16 4.91 0.00 2.35 2.44 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 0.00 0.00 0.00 41 T 8.37 4.69 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 1.21 0.00 0.00 42 P 0.00 4.40 0.00 2.24 2.11 0.00 3.56 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 2.14 2.04 0.00 43 E 9.99 4.60 0.00 2.16 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 2.35 2.22 0.00 44 T 8.30 4.25 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 1.23 0.00 0.00 45 K 7.57 4.50 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.32 7.81 46 H 7.68 5.30 0.00 3.15 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.34 0.00 1.96 2.04 0.00 3.02 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 1.85 1.98 0.00 48 K 7.89 4.27 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 49 K 7.51 4.10 0.00 1.58 1.49 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 50 G 7.87 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 0.00 0.00 0.00 0.00 51 V 8.60 4.39 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 0.81 0.00 0.00 0.92 0.00 0.00 52 E 8.99 4.62 0.00 1.90 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 0.00 2.20 2.47 0.00 53 K 8.27 4.10 0.00 1.67 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.09 0.84 7.81 54 Y 8.20 4.33 0.00 3.16 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 55 G 8.20 3.74 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 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.15 3.98 0.00 2.35 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 2.51 2.49 0.00 58 A 8.65 4.03 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 S 8.46 4.14 0.00 3.91 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 60 A 8.61 4.08 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.46 3.94 0.00 3.20 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 62 T 8.18 3.93 4.30 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 1.27 0.00 0.00 63 K 7.88 3.85 0.00 1.91 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 64 K 8.12 3.84 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 65 M 7.75 3.84 0.00 2.00 1.68 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 2.50 2.52 0.00 66 I 7.85 3.93 1.85 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 1.49 0.67 0.89 0.00 0.00 67 E 8.71 4.03 0.00 1.88 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 2.33 2.55 0.00 68 N 7.90 4.68 0.00 2.74 2.80 0.00 0.00 6.98 6.74 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 69 A 7.01 4.59 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 70 K 8.97 4.18 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81 71 K 8.70 4.64 0.00 1.75 1.64 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 72 V 8.48 4.93 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 1.00 0.00 0.00 0.92 0.00 0.00 73 E 9.21 5.19 0.00 1.95 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 2.20 2.26 0.00 74 V 8.99 4.66 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 -0.05 0.00 0.00 0.59 0.00 0.00 75 E 8.82 5.14 0.00 2.29 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 0.00 2.50 2.27 0.00 76 F 8.81 4.66 0.00 3.11 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 77 D 8.55 4.94 0.00 2.67 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 78 K 8.67 4.47 0.00 1.92 1.96 0.00 1.72 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 G 8.31 4.15 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 0.00 0.00 0.00 80 Q 8.69 4.06 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 81 R 8.48 4.75 0.00 1.47 1.40 0.00 2.65 0.00 0.00 2.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 82 T 7.68 5.18 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 1.13 0.00 0.00 83 D 8.83 4.96 0.00 2.80 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 84 K 8.68 3.90 0.00 1.62 1.80 0.00 1.23 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.93 0.37 7.81 85 Y 8.20 4.26 0.00 3.10 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 86 G 8.27 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 0.00 0.00 0.00 87 R 8.43 4.33 0.00 2.03 1.80 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 88 G 8.38 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 5.28 0.00 1.55 1.62 0.96 0.59 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 90 A 8.40 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.57 4.81 0.00 3.02 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 92 I 8.78 4.79 1.77 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.81 0.00 0.00 93 Y 9.18 5.07 0.00 2.88 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 94 A 9.32 4.89 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 95 D 10.14 4.35 0.00 2.74 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 96 G 8.61 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 0.00 0.00 0.00 97 K 7.95 4.60 0.00 1.84 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.44 4.00 0.00 1.88 1.58 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.43 0.00 99 V 8.64 3.63 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 1.03 0.00 0.00 0.92 0.00 0.00 100 N 7.97 4.34 0.00 2.87 2.89 0.00 0.00 6.78 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 0.00 101 E 8.04 3.86 0.00 1.88 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 2.21 2.04 0.00 102 A 8.10 4.03 1.64 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 0.00 0.00 103 L 7.99 3.46 0.00 1.78 1.58 0.98 0.57 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 0.00 104 V 7.42 3.80 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 1.16 0.00 0.00 1.01 0.00 0.00 105 R 8.49 3.92 0.00 1.98 2.11 0.00 3.35 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.77 4.33 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 107 G 8.12 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 0.00 108 L 7.86 4.49 0.00 1.26 1.47 0.55 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.40 4.67 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 0.00 0.00 0.00 0.00 0.00 110 K 8.58 4.89 0.00 1.65 1.73 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.64 1.12 7.81 111 V 9.00 4.22 2.12 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 0.77 0.00 0.00 0.96 0.00 0.00 112 A 8.73 3.99 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 0.00 113 Y 7.47 4.33 0.00 2.85 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 0.00 114 V 8.19 4.04 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 0.90 0.00 0.00 1.06 0.00 0.00 115 Y 8.22 4.62 0.00 3.09 2.88 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 0.00 116 K 8.57 4.45 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.73 7.81 117 P 0.00 4.76 0.00 2.22 2.17 0.00 3.94 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 1.98 2.00 0.00 118 N 8.08 4.91 0.00 2.94 2.88 0.00 0.00 6.64 7.55 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 0.00 119 N 7.78 5.18 0.00 2.86 3.00 0.00 0.00 6.11 7.22 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 0.00 120 T 8.63 3.87 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 1.15 0.00 0.00 121 H 8.01 4.86 0.00 2.91 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 4.02 0.00 2.16 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 2.40 0.00 123 Q 8.03 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.25 4.23 0.00 3.21 3.42 0.00 5.87 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 0.00 125 L 8.02 3.96 0.00 1.91 1.70 0.99 0.79 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 0.00 126 R 8.19 3.94 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 127 K 8.11 4.04 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 128 S 8.10 4.15 0.00 3.94 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 0.00 129 E 8.50 3.97 0.00 2.14 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 2.21 2.60 0.00 130 A 7.89 3.76 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 0.00 131 Q 7.84 3.77 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 132 A 7.88 3.97 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 0.00 133 K 7.70 3.22 0.00 1.50 1.21 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.77 7.81 134 K 7.86 3.73 0.00 1.75 1.97 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 135 E 8.62 4.16 0.00 1.94 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 2.32 2.51 0.00 136 K 8.23 4.12 0.00 1.88 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.56 7.81 137 L 8.31 4.32 0.00 1.76 1.66 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.44 3.78 0.00 2.65 1.58 0.00 0.00 7.11 7.36 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 0.00 139 I 5.42 2.95 1.16 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.23 -0.69 0.00 0.00 140 W 7.88 4.90 0.00 3.42 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 0.00 141 S 8.00 4.47 0.00 4.02 4.06 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