NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4950 8.2893 120.3468 55.8765 32.0968 174.4077 2 C 4.5642 8.2750 117.4647 57.4535 32.7781 173.4299 3 N 4.6565 9.0051 117.7034 53.2562 39.1915 175.9876 4 T 4.3778 7.6356 116.1765 62.3702 68.1994 173.6179 5 N 4.9078 8.5398 123.4937 53.6482 40.9505 174.9542 6 M 4.5414 7.7176 112.7645 54.6772 34.1024 174.7512 7 S 3.7817 8.2006 114.0493 57.4718 63.0023 170.8120 8 V 4.4656 7.6961 119.4863 59.3213 33.4710 173.9365 9 P 4.5803 0.0000 0.0000 63.1347 29.9370 176.0732 10 T 4.3700 7.5488 115.8330 63.1986 70.1011 173.6038 11 D 4.6711 8.9749 127.0169 55.0727 38.4401 175.1772 12 G 3.9468 7.4749 102.4309 44.7685 0.0000 174.8169 13 A 3.6351 7.9823 123.7788 51.3022 17.2386 177.5393 14 V 3.7921 7.9186 115.6853 65.0439 31.8162 176.1318 15 T 4.7144 7.4031 115.4167 62.0279 71.9569 174.1967 16 T 4.3599 8.4541 114.2126 62.0005 69.0237 174.9344 17 S 4.6225 7.2791 117.6490 58.8027 64.3250 172.7587 18 Q 4.7067 8.2466 122.1868 56.8453 36.3235 173.5920 19 I 4.4478 7.4182 116.3973 58.1192 40.1704 173.5381 20 P 4.3857 0.0000 0.0000 63.4915 29.9763 176.0562 21 A 4.6465 7.7391 123.2762 52.3492 20.8256 176.5067 22 S 4.5144 7.8475 120.1047 60.6538 66.4773 178.0858 23 E 4.0800 8.6211 120.0212 58.3261 29.3932 177.7081 24 Q 4.4181 7.6216 119.3651 54.0664 27.5191 174.7158 25 E 3.9352 7.6237 122.3766 53.2720 30.2747 174.3832 26 T 3.5185 8.0070 114.7256 63.6620 68.6364 171.7063 27 L 4.5997 8.1067 129.1238 53.8922 40.3069 175.8057 28 V 3.7740 8.4974 123.0363 62.9952 33.2550 175.1577 29 R 5.1990 8.4156 125.1722 54.3262 31.6515 172.8516 30 P 4.6465 0.0000 0.0000 60.7806 32.6815 176.2753 31 K 4.1475 8.0885 117.4508 54.8278 32.6696 173.6224 32 P 4.3239 0.0000 0.0000 63.3473 30.8433 174.0006 33 L 4.2003 7.8396 128.2569 54.0027 47.2440 175.7020 34 L 4.1303 6.9179 117.0960 54.7899 42.0224 177.9698 35 L 3.9714 7.2045 118.6431 56.2413 42.5928 178.3012 36 K 3.9211 7.8155 116.2038 58.1662 31.9626 178.1688 37 L 3.4863 7.2331 119.8253 56.8574 42.7707 177.3972 38 L 3.9582 6.9534 117.6322 56.4812 42.0659 179.0698 39 K 4.6225 7.6772 116.5459 58.7080 32.3749 178.8048 40 S 4.2789 7.9869 114.1617 61.6937 63.0956 175.5503 41 V 3.8745 8.2363 118.3094 64.4330 31.2841 177.0846 42 G 4.9554 7.5961 117.2062 46.3135 0.0000 172.7925 43 A 4.2977 7.0045 123.1159 53.0442 18.9414 176.0251 44 Q 5.1048 7.8362 114.1643 55.6868 30.3995 172.7815 45 K 4.6149 7.6615 119.7744 54.0279 36.6764 176.4482 46 D 4.4413 8.4355 119.8727 56.8227 41.0261 176.0075 47 T 4.7722 7.0843 106.8389 60.7780 72.7653 171.5053 48 Y 4.9161 8.6461 117.9424 57.3189 43.1180 174.1100 49 T 5.2967 8.3424 108.2532 58.5097 72.4733 175.1116 50 M 4.2422 8.8433 121.6315 57.3006 31.7871 178.6204 51 K 4.8326 7.7856 121.4648 58.4133 32.7335 177.6112 52 E 2.9256 7.9460 119.3569 59.2524 29.5273 178.8580 53 V 3.3965 8.1239 118.4533 66.4653 31.4322 176.6802 54 L 4.3452 7.6019 119.4046 58.9955 41.5162 178.7421 55 F 4.4637 7.7824 117.5415 59.5669 38.5555 177.0616 56 Y 4.4523 7.7940 120.9648 60.6984 38.7435 177.0605 57 L 4.1211 8.2196 121.6961 58.1183 42.1390 178.9163 58 G 3.9551 8.2924 105.3174 48.1812 0.0000 175.3982 59 Q 4.0852 8.4343 120.1789 59.0716 28.6271 178.1449 60 Y 4.5917 8.0708 120.3987 60.6915 39.4928 177.6250 61 I 3.9717 8.2371 120.5014 65.0169 37.0254 177.9493 62 M 3.7142 8.0885 120.1371 58.3898 32.3200 177.4129 63 T 4.3339 8.2789 109.8921 60.8089 72.3069 175.1851 64 K 3.6847 8.5894 117.5977 56.3643 30.1709 176.1777 65 R 3.9819 7.4640 116.2873 57.5956 27.5652 175.6539 66 L 4.9372 7.8577 114.5789 54.2421 44.8859 177.5605 67 Y 4.4389 8.3130 117.1386 56.0225 39.0516 176.8360 68 D 4.6114 7.3892 117.3560 52.6734 39.9638 178.3012 69 E 4.6302 8.5987 118.7908 57.2885 30.4976 175.6720 70 K 4.4113 8.4328 117.5274 58.4710 33.4433 177.6491 71 Q 4.4902 7.8053 113.6341 55.0508 30.8782 175.2863 72 Q 3.9136 8.9284 115.2884 57.3801 26.6738 173.8431 73 H 4.7402 9.1219 110.1271 54.8343 31.6515 174.0777 74 I 3.9640 7.5941 121.9077 59.6134 36.4414 173.3302 75 V 3.7183 7.4630 122.9499 60.4837 32.6005 175.7473 76 Y 5.3000 7.4722 124.4624 57.1011 38.3985 176.4327 77 C 5.5339 7.9241 123.2628 56.9201 28.1752 172.5684 78 S 4.3785 8.2162 113.4359 57.8345 63.4758 173.6818 79 N 4.2494 8.8974 126.4082 54.3407 35.4875 173.0672 80 D 5.0201 7.2970 117.4771 52.2611 46.1585 177.3297 81 L 4.7919 8.7065 120.5809 57.5168 41.9805 179.4011 82 L 3.8582 8.4783 120.1930 58.0417 42.3411 179.1914 83 G 3.7561 8.5247 107.8775 48.6213 0.0000 175.2419 84 D 4.2879 7.9549 120.1406 57.0834 40.7957 178.4914 85 L 3.5256 6.9858 118.4895 56.8201 41.1525 176.9838 86 F 4.6389 7.9173 110.3398 56.3733 40.6159 174.4372 87 G 3.6296 8.6899 115.1704 43.2133 0.0000 173.5428 88 V 3.8273 7.5749 115.2677 60.6149 32.2322 175.1012 89 P 4.6918 0.0000 0.0000 64.7446 32.4722 175.7784 90 S 5.4867 7.9993 111.8286 58.4772 65.4178 174.9047 91 F 4.8405 7.8520 116.4727 55.4293 41.5288 173.4996 92 S 5.3561 8.9483 116.1137 56.4612 62.1582 174.6896 93 V 3.8301 8.2852 128.1095 64.2345 31.3794 177.4939 94 K 3.9323 8.3259 122.2602 58.9098 32.4052 176.4736 95 E 4.4390 7.5952 117.4900 55.1752 28.5291 176.1140 96 H 4.0873 8.2917 124.9793 58.5948 29.0003 176.7539 97 R 3.9059 7.8955 120.8886 59.6000 30.0423 178.4833 98 K 4.1457 7.9766 117.6956 59.1193 32.0800 179.2339 99 I 3.8921 7.8164 118.9738 64.1772 38.1056 177.2508 100 Y 4.5844 8.1848 116.7693 60.4434 37.7648 177.6897 101 T 4.1426 7.9731 113.3826 64.6510 67.5191 175.4904 102 M 4.3761 7.8884 117.3714 56.8412 31.8133 178.0388 103 I 3.6020 7.3358 120.7292 63.7570 38.1940 176.9402 104 Y 4.2226 7.4427 120.8044 56.6185 35.6614 175.5973 105 R 3.9828 7.5552 123.4776 58.6253 30.6608 177.6731 106 N 4.5031 7.3672 118.5553 53.0261 39.3489 175.0067 107 L 4.3366 7.1250 118.7325 55.4961 43.0569 175.0748 108 V 4.1068 8.0197 114.8597 61.6576 32.6835 171.4496 109 V 4.4424 8.1530 118.0244 59.3199 35.6138 175.0931 110 V 3.7460 8.2414 119.4985 62.7513 30.8176 175.0316 111 N 4.2630 8.2359 120.8542 52.9452 39.4686 173.5085 112 Q 3.3127 7.9545 130.7616 55.5345 26.9965 173.2469 113 Q 4.1338 8.3143 120.9482 56.0882 29.2095 175.7377 114 E 4.8367 8.3731 118.2405 54.6607 33.6891 174.8145 115 S 4.7230 8.1454 112.6573 56.9584 65.8984 173.4334 116 S 4.3934 8.5245 115.7046 58.7610 62.2558 173.6316 117 D 4.3278 7.6723 117.6103 53.9524 40.8163 173.3631 118 S 4.4995 7.9128 123.1954 57.0493 61.9931 174.0954 119 S 4.1428 8.0808 119.9096 58.4011 61.9772 173.9813 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 8.29 4.49 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 C 8.28 4.56 0.00 3.13 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 3 N 9.01 4.66 0.00 2.70 2.86 0.00 0.00 6.89 7.53 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 4 T 7.64 4.38 4.23 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 0.00 0.00 1.21 0.00 0.00 5 N 8.54 4.91 0.00 2.61 2.75 0.00 0.00 6.91 7.64 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 6 M 7.72 4.54 0.00 1.95 1.94 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 2.47 2.52 0.00 7 S 8.20 3.78 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.70 4.47 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 0.70 0.00 0.00 0.97 0.00 0.00 9 P 0.00 4.58 0.00 2.20 2.17 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 T 7.55 4.37 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 11 D 8.97 4.67 0.00 2.81 2.74 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 12 G 7.47 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 0.00 0.00 0.00 13 A 7.98 3.64 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 14 V 7.92 3.79 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 0.92 0.00 0.00 0.93 0.00 0.00 15 T 7.40 4.71 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 1.25 0.00 0.00 16 T 8.45 4.36 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 17 S 7.28 4.62 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.71 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 19 I 7.42 4.45 1.90 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.90 0.00 0.00 20 P 0.00 4.39 0.00 2.04 2.04 0.00 3.84 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 2.02 2.08 0.00 21 A 7.74 4.65 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 22 S 7.85 4.51 0.00 3.98 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 23 E 8.62 4.08 0.00 1.99 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 0.00 2.33 2.34 0.00 24 Q 7.62 4.42 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 25 E 7.62 3.94 0.00 1.94 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 0.00 2.31 2.36 0.00 26 T 8.01 3.52 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 1.16 0.00 0.00 27 L 8.11 4.60 0.00 1.66 1.60 1.00 0.99 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 28 V 8.50 3.77 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 1.00 0.00 0.00 1.05 0.00 0.00 29 R 8.42 5.20 0.00 1.68 1.81 0.00 3.25 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 30 P 0.00 4.65 0.00 2.07 2.01 0.00 3.82 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 1.86 1.88 0.00 31 K 8.09 4.15 0.00 1.79 1.72 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.43 7.81 32 P 0.00 4.32 0.00 1.98 2.04 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 33 L 7.84 4.20 0.00 1.42 1.47 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 L 6.92 4.13 0.00 1.58 1.25 0.49 0.08 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 35 L 7.20 3.97 0.00 1.58 1.71 0.71 0.97 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 36 K 7.82 3.92 0.00 1.56 1.75 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 37 L 7.23 3.49 0.00 1.45 1.41 0.56 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 L 6.95 3.96 0.00 1.22 0.93 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.68 4.62 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.49 7.81 40 S 7.99 4.28 0.00 4.21 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 41 V 8.24 3.87 2.52 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 1.08 0.00 0.00 1.14 0.00 0.00 42 G 7.60 4.96 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 43 A 7.00 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.84 5.10 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 45 K 7.66 4.61 0.00 0.98 1.29 0.00 1.76 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.28 7.81 46 D 8.44 4.44 0.00 2.60 2.68 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 47 T 7.08 4.77 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 1.18 0.00 0.00 48 Y 8.65 4.92 0.00 2.86 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 49 T 8.34 5.30 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 1.28 0.00 0.00 50 M 8.84 4.24 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 51 K 7.79 4.83 0.00 1.88 1.86 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.49 7.81 52 E 7.95 2.93 0.00 2.20 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 0.00 2.66 2.62 0.00 53 V 8.12 3.40 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 0.65 0.00 0.00 0.83 0.00 0.00 54 L 7.60 4.35 0.00 2.29 1.83 1.07 1.30 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 55 F 7.78 4.46 0.00 3.12 3.22 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 56 Y 7.79 4.45 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.22 4.12 0.00 1.64 1.92 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.29 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 59 Q 8.43 4.09 0.00 2.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.85 2.66 0.00 60 Y 8.07 4.59 0.00 3.01 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 61 I 8.24 3.97 2.06 0.00 0.00 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 2.13 1.24 1.02 0.00 0.00 62 M 8.09 3.71 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.93 0.00 63 T 8.28 4.33 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 1.27 0.00 0.00 64 K 8.59 3.68 0.00 1.56 1.73 0.00 1.75 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.63 0.21 7.81 65 R 7.46 3.98 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 66 L 7.86 4.94 0.00 1.70 1.91 1.07 0.90 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 67 Y 8.31 4.44 0.00 2.89 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 68 D 7.39 4.61 0.00 2.52 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 69 E 8.60 4.63 0.00 2.02 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 2.34 0.00 70 K 8.43 4.41 0.00 1.83 1.91 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.48 7.81 71 Q 7.81 4.49 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 72 Q 8.93 3.91 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 73 H 9.12 4.74 0.00 3.08 3.39 0.00 5.25 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 74 I 7.59 3.96 1.50 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.15 0.80 0.00 0.00 75 V 7.46 3.72 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 -0.70 0.00 0.00 0.88 0.00 0.00 76 Y 7.47 5.30 0.00 2.92 2.98 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 77 C 7.92 5.53 0.00 3.29 3.05 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 78 S 8.22 4.38 0.00 3.87 3.82 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 79 N 8.90 4.25 0.00 2.94 2.87 0.00 0.00 6.96 8.08 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 80 D 7.30 5.02 0.00 2.79 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 81 L 8.71 4.79 0.00 1.74 1.44 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.48 3.86 0.00 1.98 1.99 0.78 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.52 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 84 D 7.95 4.29 0.00 2.84 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 85 L 6.99 3.53 0.00 0.65 0.66 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.92 4.64 0.00 2.92 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 87 G 8.69 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 0.00 0.00 0.00 88 V 7.57 3.83 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 0.47 0.00 0.00 0.97 0.00 0.00 89 P 0.00 4.69 0.00 2.16 2.33 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 90 S 8.00 5.49 0.00 3.89 4.23 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 0.00 0.00 0.00 91 F 7.85 4.84 0.00 2.79 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 92 S 8.95 5.36 0.00 3.87 3.82 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 93 V 8.29 3.83 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 0.77 0.00 0.00 0.96 0.00 0.00 94 K 8.33 3.93 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.45 7.81 95 E 7.60 4.44 0.00 2.25 2.11 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 2.30 2.37 0.00 96 H 8.29 4.09 0.00 3.05 3.00 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.90 3.91 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 98 K 7.98 4.15 0.00 2.03 1.88 0.00 1.74 0.00 0.00 2.06 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.52 7.81 99 I 7.82 3.89 2.27 0.00 0.00 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 1.76 2.12 0.99 0.00 0.00 100 Y 8.18 4.58 0.00 3.37 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 0.00 101 T 7.97 4.14 4.48 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 1.35 0.00 0.00 102 M 7.89 4.38 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 3.02 0.00 103 I 7.34 3.60 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 1.82 0.43 -0.02 0.00 0.00 104 Y 7.44 4.22 0.00 2.97 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 0.00 105 R 7.56 3.98 0.00 1.74 1.84 0.00 3.30 0.00 0.00 3.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 106 N 7.37 4.50 0.00 2.74 2.68 0.00 0.00 6.74 7.85 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 0.00 107 L 7.12 4.34 0.00 1.69 1.59 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.02 4.11 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 0.82 0.00 0.00 1.01 0.00 0.00 109 V 8.15 4.44 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 0.64 0.00 0.00 0.91 0.00 0.00 110 V 8.24 3.75 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 0.62 0.00 0.00 0.93 0.00 0.00 111 N 8.24 4.26 0.00 2.70 2.78 0.00 0.00 7.01 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 0.00 112 Q 7.95 3.31 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 113 Q 8.31 4.13 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 114 E 8.37 4.84 0.00 1.91 1.87 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 2.19 2.44 0.00 115 S 8.15 4.72 0.00 3.90 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 0.00 116 S 8.52 4.39 0.00 3.85 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 0.00 117 D 7.67 4.33 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 0.00 118 S 7.91 4.50 0.00 3.86 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 0.00 119 S 8.08 4.14 0.00 3.82 3.64 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