NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4313 8.3349 115.4056 58.1753 64.1364 175.5284 4 V 4.2300 8.2091 111.3761 56.2169 33.7266 172.6586 5 P 4.1800 0.0000 0.0000 62.6138 32.2082 174.0519 6 P 5.1847 0.0000 0.0000 61.8046 32.2214 175.7837 7 G 4.1814 8.4014 107.0037 45.7073 0.0000 172.7701 8 D 5.4019 8.6673 119.8061 52.6248 41.5925 175.1426 9 I 4.7652 8.0152 111.8654 59.0864 40.8391 174.1555 10 N 5.1219 8.8742 120.3775 51.5933 41.6691 173.9400 11 T 5.6419 8.2095 111.7095 59.0110 72.9144 172.8811 12 Q 4.4686 8.2581 121.0843 53.4212 32.3853 173.3955 13 P 4.8194 0.0000 0.0000 62.0935 32.6776 175.9584 14 G 4.2558 7.9472 106.5917 45.4873 0.0000 172.5169 15 S 4.7787 8.0380 117.7224 59.0447 70.0800 175.4692 16 K 4.5063 7.7854 116.1520 56.8731 35.1908 174.3927 17 I 4.3895 8.2420 119.5073 60.1475 41.5391 173.7978 18 V 4.8510 8.3026 129.3179 61.3446 33.4140 174.5233 19 F 4.8114 9.6936 126.8223 55.9424 41.1104 174.3198 20 N 5.3577 9.4025 122.0013 51.9250 39.8623 175.2606 21 A 3.0452 8.7866 125.6374 50.5343 19.4937 175.1037 22 P 3.9852 0.0000 0.0000 61.9129 32.3779 176.5845 23 Y 4.8174 7.4091 118.9054 57.8475 36.9581 176.2740 24 D 4.9890 7.4740 113.6695 52.5125 40.5273 175.4542 25 D 4.6198 7.6224 116.0614 53.3909 44.2275 174.8454 26 K 4.9468 8.7937 124.9886 56.9267 32.6454 175.3481 27 H 4.7587 9.0627 127.9781 55.2753 32.1785 174.0406 28 T 4.7980 7.7545 120.3864 62.2616 70.5514 173.2057 29 Y 4.5922 9.1064 125.3530 57.2051 40.4360 174.1837 30 H 5.5150 8.7356 116.0873 54.4539 33.0069 173.4161 31 I 4.8664 8.9819 119.8613 59.6136 42.0224 174.2253 32 K 4.8721 8.8197 127.0545 54.8907 34.2366 174.6791 33 I 4.6873 8.8935 129.4197 59.9208 39.5294 174.9505 34 T 4.7607 8.5599 123.0758 61.6592 72.5268 173.0034 35 N 4.8535 9.0114 125.4559 53.0285 38.3046 175.0421 36 A 4.3350 8.5221 128.2360 53.6617 19.2147 177.6448 37 G 3.8483 8.5515 105.0300 45.3891 0.0000 173.6451 38 G 3.7804 8.5115 106.9995 46.4798 0.0000 173.5866 39 R 4.7315 7.4924 116.5040 53.5706 34.0321 175.4560 40 R 4.4728 8.3385 119.1550 57.2501 31.5537 175.6400 41 I 4.8180 8.4952 112.1020 60.0599 41.6092 173.7997 42 G 4.9437 9.5922 110.5295 44.3294 0.0000 171.9418 43 W 6.3000 9.5577 121.0868 55.2098 32.1569 173.8905 44 A 4.9861 9.9100 121.9789 50.8720 22.4797 175.0164 45 I 5.1093 8.5171 120.9634 59.5925 39.4497 175.4364 46 K 4.6874 9.4565 126.9771 55.0671 35.6487 175.5597 47 T 5.5042 8.3889 116.8887 59.7966 71.5483 173.9658 48 T 4.5182 8.4309 115.5747 63.6843 69.6983 175.0684 49 N 4.9353 8.0081 120.9123 51.8298 39.6607 174.1474 50 M 4.0268 8.2867 121.7935 57.9932 32.8224 178.5759 51 R 4.0021 8.1043 116.6798 59.3146 30.8656 177.8462 52 R 4.0043 8.2436 117.7841 58.8476 30.3232 176.5395 53 L 5.4756 7.1562 115.9376 53.7354 43.4223 175.9926 54 G 4.2764 8.2601 104.8914 45.4441 0.0000 172.4694 55 V 5.1310 8.1791 122.1256 59.5749 35.5140 174.0466 56 D 4.8732 7.9977 121.8441 53.3686 44.0945 174.1091 57 P 4.7821 0.0000 0.0000 62.0656 32.4141 174.4296 58 P 4.7527 0.0000 0.0000 64.2691 32.5086 175.3661 59 S 3.0876 6.9757 112.2657 57.5605 65.1654 175.1769 60 G 3.6216 5.3806 107.0945 45.9979 0.0000 171.7177 61 V 5.2441 8.5937 119.0201 61.0845 34.3371 175.3209 62 L 5.1395 8.9314 126.3220 53.1871 45.6027 176.8685 63 D 5.1523 10.4717 124.9016 53.2960 42.4494 174.0555 64 P 4.4568 0.0000 0.0000 63.9135 32.2864 177.2057 65 S 3.8894 9.0177 115.0979 59.0484 61.7353 171.3658 66 E 4.5159 7.6855 121.8720 55.8295 30.8841 175.1449 67 K 5.2230 8.2774 121.0318 55.5542 35.9558 175.4034 68 V 4.5196 9.0669 119.8677 60.0648 35.4927 174.0758 69 L 4.9755 8.5759 123.9250 53.8010 43.4778 175.0706 70 M 4.7228 9.0422 124.5480 53.4593 34.4843 174.6806 71 A 4.9435 8.5840 122.5729 50.4788 21.2018 176.0135 72 V 4.5748 8.6723 123.4562 62.0779 33.5924 175.1133 73 S 5.5228 9.0016 122.6225 57.1412 66.9024 172.9356 74 C 5.0048 8.9659 121.9173 58.2218 34.4792 173.2825 75 D 5.1320 8.7437 126.5331 53.5406 42.0583 175.6700 76 T 4.3331 8.5804 111.8112 62.4002 69.4805 174.1942 77 F 4.7774 7.4495 113.9754 57.3886 41.6958 173.6686 78 N 4.7930 8.6964 111.0932 51.2263 38.6133 175.6690 79 A 3.9437 8.0191 123.2224 53.9481 19.3471 178.9812 80 A 4.2856 8.3347 118.6719 54.0704 19.1447 178.6788 81 T 4.6793 8.4437 105.8099 60.4060 68.9294 172.8264 82 E 4.5816 7.7645 118.8298 56.5902 34.0138 174.1586 83 D 4.7682 8.2016 119.1739 53.5798 42.2284 175.7280 84 L 4.8661 8.2822 121.8345 54.5005 43.7690 176.7050 85 N 4.8534 9.2839 115.9907 53.4753 39.2847 175.1726 86 N 5.0165 8.1037 115.5217 52.9612 39.4041 173.6823 87 D 4.9988 7.8911 116.9156 53.1893 43.3149 175.5908 88 R 4.6581 8.1651 118.8638 55.3516 34.5510 173.5155 89 I 4.8157 9.3547 124.8918 59.5972 40.5000 173.9304 90 C 5.1755 9.9009 128.8456 57.6876 33.8356 172.2291 91 I 5.0114 8.9513 127.4418 59.7181 39.4722 174.3159 92 E 5.7141 9.6132 127.3790 54.4949 32.5741 175.2654 93 W 6.2843 9.3991 119.9814 56.3484 32.3529 173.2294 94 T 4.7313 9.0605 114.5300 60.8129 71.0086 172.8129 95 N 4.9688 8.8534 121.6562 52.6829 39.3721 174.1060 96 T 4.0241 7.8027 110.0982 58.6936 70.4056 172.6051 97 P 3.9767 0.0000 0.0000 62.8567 31.5379 174.7886 98 D 4.2214 8.7758 121.0271 55.8323 41.1959 176.8514 99 G 3.9285 8.6516 110.7695 46.4355 0.0000 173.2109 100 A 4.4545 7.4408 122.4087 50.6458 20.5288 176.7802 101 A 4.8718 8.2206 119.5188 50.2092 22.0508 177.4005 102 K 4.3378 8.4449 119.3337 55.3733 30.3046 175.3388 103 Q 4.4471 8.0839 117.0301 54.8021 31.8475 173.4438 104 F 4.5994 9.2537 128.4560 58.6133 40.1197 174.5073 105 R 3.5974 5.8400 125.3590 53.5763 31.6087 175.7304 106 R 3.7476 8.0035 124.5016 59.5738 30.6172 177.9190 107 E 4.2392 8.0253 118.1646 58.8637 29.1222 179.2617 108 W 4.6413 7.7728 117.5590 59.9813 29.0927 178.2719 109 F 4.1855 8.5222 117.0640 60.3546 38.8655 177.4431 110 Q 4.3269 8.3784 117.3429 58.4204 28.4519 177.4779 111 G 4.1089 7.7369 107.1658 45.1395 0.0000 172.2573 112 D 4.4816 8.4390 119.3765 52.7612 41.5291 177.8284 113 G 3.7503 7.5948 110.2171 45.7516 0.0000 170.8579 114 M 4.5918 7.9569 119.7631 53.4562 34.2427 175.3680 115 V 4.2465 7.9586 121.4031 61.1382 34.5299 174.4107 116 R 4.2316 8.2911 128.2056 54.7997 31.9099 174.9807 117 R 5.5438 7.9794 121.9559 54.6864 34.6510 174.5576 118 K 4.7371 9.3556 120.8829 55.5549 36.0715 174.1108 119 N 5.4365 8.9246 124.4917 51.5952 40.8738 174.2413 120 L 4.7299 9.0428 124.0104 52.3059 44.2849 174.0285 121 P 4.7072 0.0000 0.0000 62.2072 33.3570 175.0350 122 I 4.5150 7.6629 122.7549 60.2435 38.3595 174.6960 123 E 4.4710 9.0363 128.7908 54.5927 31.6183 174.0909 124 Y 5.0192 8.5839 125.3415 57.2988 39.3046 174.3912 125 N 4.9164 10.3042 125.4982 52.0044 40.8096 174.9552 126 L 4.2605 8.5847 125.3594 54.9534 41.9951 176.5390 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 3 S 8.33 4.43 0.00 3.95 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 4 V 8.21 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.18 0.00 2.14 2.04 0.00 3.74 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 1.98 1.96 0.00 6 P 0.00 5.18 0.00 2.11 2.16 0.00 2.97 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 7 G 8.40 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 0.00 0.00 0.00 0.00 8 D 8.67 5.40 0.00 2.88 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 9 I 8.02 4.77 1.35 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.11 0.40 0.00 0.00 10 N 8.87 5.12 0.00 2.48 2.63 0.00 0.00 6.88 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 11 T 8.21 5.64 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 1.08 0.00 0.00 12 Q 8.26 4.47 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.82 0.00 2.11 2.07 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 14 G 7.95 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 15 S 8.04 4.78 0.00 3.69 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 16 K 7.79 4.51 0.00 1.77 1.75 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.37 7.81 17 I 8.24 4.39 1.82 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 0.92 1.48 1.04 0.00 0.00 18 V 8.30 4.85 2.09 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 1.03 0.00 0.00 0.93 0.00 0.00 19 F 9.69 4.81 0.00 2.95 3.33 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 20 N 9.40 5.36 0.00 2.67 2.77 0.00 0.00 7.05 7.75 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 21 A 8.79 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 3.99 0.00 1.95 1.90 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.41 4.82 0.00 2.48 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 0.00 0.00 0.00 0.00 24 D 7.47 4.99 0.00 2.72 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 25 D 7.62 4.62 0.00 2.70 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 26 K 8.79 4.95 0.00 1.89 1.81 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.38 7.81 27 H 9.06 4.76 0.00 3.47 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.75 4.80 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 1.26 0.00 0.00 29 Y 9.11 4.59 0.00 2.70 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 30 H 8.74 5.51 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.98 4.87 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.85 0.00 0.00 32 K 8.82 4.87 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 I 8.89 4.69 1.27 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.22 0.39 0.00 0.00 34 T 8.56 4.76 4.13 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 0.00 0.00 0.00 1.13 0.00 0.00 35 N 9.01 4.85 0.00 2.76 2.79 0.00 0.00 6.75 7.33 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 36 A 8.52 4.33 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 37 G 8.55 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 0.00 0.00 0.00 38 G 8.51 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 39 R 7.49 4.73 0.00 1.65 1.83 0.00 3.22 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 40 R 8.34 4.47 0.00 1.72 1.81 0.00 3.09 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 41 I 8.50 4.82 2.26 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 1.12 0.00 0.00 42 G 9.59 4.94 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 0.00 43 W 9.56 6.30 0.00 3.58 3.32 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 0.00 44 A 9.91 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.11 2.11 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 1.52 1.08 0.97 0.00 0.00 46 K 9.46 4.69 0.00 1.74 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.39 5.50 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 48 T 8.43 4.52 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 1.18 0.00 0.00 49 N 8.01 4.94 0.00 2.70 2.54 0.00 0.00 7.15 7.77 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 50 M 8.29 4.03 0.00 2.03 2.12 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 2.60 2.51 0.00 51 R 8.10 4.00 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 8.24 4.00 0.00 1.77 1.75 0.00 2.70 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 53 L 7.16 5.48 0.00 1.56 1.62 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.26 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.18 5.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.87 0.00 2.86 2.51 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 57 P 0.00 4.78 0.00 2.30 2.09 0.00 3.93 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 58 P 0.00 4.75 0.00 2.12 2.32 0.00 3.43 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 59 S 6.98 3.09 0.00 2.72 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 60 G 5.38 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.59 5.24 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 1.01 0.00 0.00 1.22 0.00 0.00 62 L 8.93 5.14 0.00 1.82 1.57 1.44 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.47 5.15 0.00 2.68 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 65 S 9.02 3.89 0.00 4.00 4.04 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 66 E 7.69 4.52 0.00 2.09 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 2.33 2.28 0.00 67 K 8.28 5.22 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.07 4.52 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 0.43 0.00 0.00 1.00 0.00 0.00 69 L 8.58 4.98 0.00 1.61 1.60 0.91 0.98 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 70 M 9.04 4.72 0.00 1.96 2.39 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 71 A 8.58 4.94 1.17 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 72 V 8.67 4.57 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 1.24 0.00 0.00 0.98 0.00 0.00 73 S 9.00 5.52 0.00 3.89 3.81 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 74 C 8.97 5.00 0.00 3.63 3.29 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 75 D 8.74 5.13 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 76 T 8.58 4.33 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 1.29 0.00 0.00 77 F 7.45 4.78 0.00 3.10 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 N 8.70 4.79 0.00 2.72 2.74 0.00 0.00 6.77 8.15 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 79 A 8.02 3.94 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 80 A 8.33 4.29 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 81 T 8.44 4.68 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 1.22 0.00 0.00 82 E 7.76 4.58 0.00 1.84 1.72 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 2.22 2.54 0.00 83 D 8.20 4.77 0.00 2.60 2.50 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 84 L 8.28 4.87 0.00 1.75 1.71 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.28 4.85 0.00 2.67 2.87 0.00 0.00 6.72 8.28 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 86 N 8.10 5.02 0.00 2.66 2.76 0.00 0.00 6.88 8.06 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 87 D 7.89 5.00 0.00 2.53 2.42 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 88 R 8.17 4.66 0.00 1.86 1.69 0.00 3.16 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.35 4.82 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.91 0.00 0.00 90 C 9.90 5.18 0.00 2.86 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 91 I 8.95 5.01 2.09 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 1.25 0.53 0.93 0.00 0.00 92 E 9.61 5.71 0.00 2.14 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 0.00 2.37 2.35 0.00 93 W 9.40 6.28 0.00 3.77 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 94 T 9.06 4.73 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 0.41 0.00 0.00 95 N 8.85 4.97 0.00 2.76 2.65 0.00 0.00 7.25 7.05 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 96 T 7.80 4.02 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 -0.23 0.00 0.00 97 P 0.00 3.98 0.00 2.29 2.31 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 98 D 8.78 4.22 0.00 2.66 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 99 G 8.65 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 0.00 100 A 7.44 4.45 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 0.00 101 A 8.22 4.87 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 0.00 102 K 8.44 4.34 0.00 1.82 1.87 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 103 Q 8.08 4.45 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 104 F 9.25 4.60 0.00 2.97 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 0.00 105 R 5.84 3.60 0.00 0.67 0.68 0.00 2.98 0.00 0.00 2.81 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.00 106 R 8.00 3.75 0.00 1.89 1.85 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 107 E 8.03 4.24 0.00 1.75 1.91 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 2.28 2.38 0.00 108 W 7.77 4.64 0.00 3.36 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 0.00 109 F 8.52 4.19 0.00 3.22 3.25 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 0.00 110 Q 8.38 4.33 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 7.74 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 0.00 0.00 0.00 0.00 112 D 8.44 4.48 0.00 2.68 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 0.00 113 G 7.59 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 0.00 114 M 7.96 4.59 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 115 V 7.96 4.25 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 0.84 0.00 0.00 0.94 0.00 0.00 116 R 8.29 4.23 0.00 0.67 0.66 0.00 2.71 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.21 0.00 117 R 7.98 5.54 0.00 1.74 1.95 0.00 3.29 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 118 K 9.36 4.74 0.00 2.11 1.72 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.52 7.81 119 N 8.92 5.44 0.00 2.66 2.72 0.00 0.00 6.87 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 0.00 120 L 9.04 4.73 0.00 1.50 1.55 0.87 0.81 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 0.00 121 P 0.00 4.71 0.00 2.07 2.13 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.66 4.51 1.50 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.06 -0.38 0.00 0.00 123 E 9.04 4.47 0.00 1.96 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 2.24 2.25 0.00 124 Y 8.58 5.02 0.00 3.02 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 0.00 125 N 10.30 4.92 0.00 2.87 2.90 0.00 0.00 6.70 6.54 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 0.00 126 L 8.58 4.26 0.00 1.72 1.58 1.00 1.17 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