NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5990 8.1476 120.6164 55.6087 32.6301 174.3493 2 K 4.5749 8.1406 121.6684 56.4029 34.4868 171.3552 3 V 4.5538 9.0889 114.1784 61.0677 37.6852 173.5527 4 I 4.6818 8.6524 122.7801 59.7778 39.0689 175.9237 5 L 4.6151 8.3528 127.4003 54.5805 42.8180 177.3486 6 L 4.7615 8.4354 119.5217 54.3783 43.1951 175.8313 7 E 4.7544 8.0559 118.6653 53.8100 32.8601 172.3268 8 P 4.9208 0.0000 0.0000 62.2520 31.9034 175.8797 9 L 3.9478 7.9936 118.4090 56.7338 40.4350 176.3567 10 E 3.8269 9.0561 122.2251 57.2237 30.1228 175.7946 11 N 4.0884 8.7896 118.2676 53.8651 37.6830 174.6678 12 L 4.3000 7.9598 116.3145 54.7830 46.4506 175.2848 13 G 3.8598 8.0527 106.1237 45.5938 0.0000 171.5945 14 D 4.7188 9.7883 119.4250 53.4926 42.4695 176.3895 15 V 3.9228 8.3233 120.3489 63.4431 32.3341 176.5305 16 G 3.7613 8.4186 108.3470 46.2740 0.0000 173.0988 17 Q 4.4286 7.4940 120.4759 53.7656 30.9593 174.9211 18 V 5.0682 8.6836 128.1111 61.9888 31.9601 175.3830 19 V 4.6829 8.1751 127.5098 59.8251 34.7586 174.6416 20 D 5.2445 8.7151 122.6110 53.2028 41.1309 175.4948 21 V 4.5654 8.2874 111.6792 59.7421 36.5035 174.6155 22 K 3.8572 8.8991 121.3164 56.9643 32.3765 175.7964 23 P 4.3368 0.0000 0.0000 66.2012 31.3046 178.4893 24 G 3.9756 8.0851 103.0920 48.4354 0.0000 174.3349 25 Y 4.1443 8.1182 122.3114 60.2731 38.6681 178.5442 26 A 3.9895 8.4733 121.7628 55.1090 18.6563 179.8238 27 R 3.9041 8.0165 114.8364 58.5622 30.2054 177.8839 28 N 4.8172 8.1480 114.6900 53.4741 40.5817 174.9884 29 Y 4.5475 7.4268 118.4985 59.9699 39.9519 176.7485 30 L 3.6803 7.7109 120.5013 55.9396 41.5652 178.9915 31 L 4.0456 8.2663 118.7076 58.0551 41.8138 177.8632 32 P 4.1681 0.0000 0.0000 65.8633 31.4634 178.4521 33 R 4.0103 7.3773 113.2556 56.0189 31.2512 176.6957 34 G 3.8673 7.5016 107.3038 46.9791 0.0000 173.5880 35 L 4.7388 7.3531 114.1969 53.7902 44.2768 177.3616 36 A 4.6832 7.0894 119.0255 51.7037 21.7806 175.5998 37 V 4.5193 8.2794 118.7364 60.6483 35.5421 174.8367 38 L 4.4833 8.4292 123.5000 53.9905 42.4002 177.2919 39 A 4.3730 8.4018 124.9260 52.5263 18.6170 178.7078 40 T 4.0460 7.8599 110.3879 63.1180 70.8241 173.6875 41 E 3.8697 8.8834 122.6869 60.4567 29.4242 179.2775 42 S 4.0715 8.1782 112.1814 61.7796 62.1660 175.7197 43 N 4.3650 7.9786 119.6852 56.3585 38.6677 177.3564 44 L 4.1439 8.2951 121.1688 57.5316 40.6453 179.2737 45 K 4.1296 8.4849 117.8390 58.8364 32.0104 178.2047 46 A 4.3824 7.7165 121.8913 54.2840 19.0597 178.4169 47 L 4.0841 8.0747 120.0096 57.2409 42.2078 178.4097 48 E 3.9152 8.2217 117.0596 59.7442 29.1152 179.1655 49 A 3.9458 7.5176 119.1028 55.0628 18.7751 179.7067 50 R 4.0461 7.7246 112.7660 59.0057 29.3872 177.6845 51 I 4.0236 8.0457 122.6014 62.6712 36.6274 176.9907 52 R 3.9779 7.3053 124.6383 59.0334 30.1354 177.4607 53 A 4.0468 8.2307 124.3889 53.8408 18.9421 179.1287 54 Q 4.1242 7.3863 114.0486 58.5064 28.9535 179.2292 55 A 4.0505 8.4230 122.9827 54.4819 18.0045 179.7741 56 K 4.0026 8.4490 117.9597 60.2527 33.0133 179.3732 57 R 3.9174 8.0673 119.4042 59.4184 29.9807 177.8194 58 L 3.9766 7.9775 119.2776 57.8707 41.8597 178.6211 59 A 4.0347 7.7647 120.7325 55.4380 18.6854 177.7514 60 E 3.8652 10.1260 118.6637 58.6631 30.0233 177.8779 61 R 4.1422 7.9537 119.4090 57.7321 30.6892 178.1735 62 K 4.1425 8.0680 119.3377 59.0655 33.0463 178.8051 63 A 4.0262 8.1679 122.1877 54.7200 18.2782 179.1726 64 E 4.0326 7.7800 116.0929 58.5907 29.3916 179.1825 65 A 4.0115 7.9361 121.4766 55.0059 18.9625 179.3497 66 E 3.9485 8.1847 116.2829 59.0766 29.2323 179.5677 67 R 4.0919 7.9158 118.9422 58.8916 30.1406 177.3093 68 L 4.4234 7.4088 116.8792 55.2062 42.2197 177.0428 69 K 4.2892 7.7077 119.4996 58.3366 33.0188 178.2164 70 E 4.1207 7.7650 117.1401 58.6145 29.0422 177.6622 71 I 4.3208 7.1420 117.6117 60.8713 38.5133 175.7015 72 L 4.6725 7.5448 116.8929 56.1113 45.9258 177.6602 73 E 4.3877 7.8025 118.0680 55.4743 26.5679 174.6384 74 N 4.7569 7.0787 119.9600 52.4154 45.7111 175.3300 75 L 4.8912 7.9302 118.4569 52.7470 46.2738 175.2720 76 T 4.5283 8.5047 111.6583 63.0500 74.1817 176.6769 77 L 3.5288 8.2861 119.4902 53.7432 44.0324 178.9647 78 T 3.4759 8.5012 104.4480 64.5505 65.0438 171.8188 79 I 4.7998 7.3266 131.4511 58.8531 37.5038 173.9714 80 P 4.3265 0.0000 0.0000 63.7227 31.9914 177.4536 81 V 4.4838 8.1671 123.8268 60.5543 35.5536 174.2227 82 R 4.5059 8.4472 121.4015 54.8210 30.9674 174.4007 83 A 3.4870 8.0394 130.1105 50.6788 23.2059 177.1735 84 G 4.1950 9.5918 117.5338 48.1233 0.0000 169.6272 85 E 4.0298 8.7464 128.9278 56.7301 28.1376 175.3119 86 T 4.6151 7.2557 115.2697 63.0433 76.2650 174.2781 87 K 4.0371 8.1029 121.8530 56.9476 33.5917 176.0511 88 I 4.0481 7.8599 123.7531 60.0104 38.1729 176.8313 89 Y 4.5025 7.8235 122.5345 60.0925 38.8133 177.2366 90 G 4.1764 7.0489 109.0828 44.5160 0.0000 172.6546 91 S 4.5408 8.3289 116.6033 57.3695 65.3805 174.3099 92 V 4.4048 8.1565 125.2857 61.5505 33.5171 174.6560 93 T 4.9588 8.3195 116.6300 59.3082 72.4040 174.3788 94 A 3.8988 8.8517 121.9949 56.3485 17.8663 179.1728 95 K 3.6692 8.1363 114.1854 60.9296 32.0198 178.1365 96 D 4.4757 8.4189 117.0870 57.8792 40.7777 179.4037 97 I 3.5678 8.5106 122.1340 64.6899 37.5456 177.8362 98 A 4.0230 8.0397 120.2758 55.3430 18.4165 178.9151 99 E 3.9043 8.9021 116.9663 57.5778 29.9298 178.5579 100 A 4.1250 8.7391 121.3164 52.3615 18.2716 176.5803 101 L 4.2300 8.3568 125.8165 54.5263 40.5747 177.2856 102 S 5.6206 8.3203 129.4836 60.4019 62.1340 179.9881 103 R 3.6297 8.2449 124.3889 57.9389 30.3566 177.7467 104 Q 4.2915 8.1516 117.2480 57.6932 29.7758 174.7682 105 H 4.7404 9.4963 110.9140 58.2475 30.7221 173.7991 106 G 3.2924 6.9484 109.1922 45.0820 0.0000 173.6270 107 V 4.0874 7.2232 121.2481 62.5995 33.2748 174.7392 108 T 4.6200 7.9561 114.9892 62.7170 72.2085 173.2924 109 I 4.3961 7.7896 117.7365 59.8630 40.1202 173.9127 110 D 4.4910 8.0803 121.0350 51.6749 38.4338 174.1955 111 P 4.1212 0.0000 0.0000 63.2065 32.2010 178.5462 112 K 4.1692 7.8004 113.7673 56.8959 27.7043 174.4275 113 R 4.5662 7.0988 120.1629 56.3105 33.0627 175.6236 114 L 4.9331 8.2882 115.7217 53.7480 41.9431 176.1604 115 A 3.7829 8.0997 119.2324 52.7350 16.0293 178.1116 116 L 4.7199 7.6879 120.5402 54.6181 46.3487 173.6708 117 E 4.5239 8.6914 126.8272 55.3672 28.0254 179.8168 118 K 3.6664 9.1828 112.9712 56.5370 32.4372 174.6059 119 P 4.3554 0.0000 0.0000 62.1994 32.4037 175.7713 120 I 3.4274 8.1935 122.7829 60.9211 35.6636 177.3678 121 K 4.0132 9.7316 121.3600 56.8874 29.7714 175.1546 122 E 4.6246 7.6761 118.1012 54.7591 33.0411 173.7689 123 L 4.6659 9.5216 120.5208 52.0518 43.4777 176.8375 124 G 3.9545 6.9775 110.5015 44.4609 0.0000 170.6726 125 E 4.6713 7.7541 121.2078 55.0255 30.2002 174.5665 126 Y 4.7354 8.4526 124.4847 56.3772 41.5499 175.2821 127 V 4.5767 8.4054 121.1558 60.9973 32.1034 173.4118 128 L 4.8588 8.7003 125.0450 52.9415 43.9262 175.6720 129 T 4.9651 8.3429 112.5523 60.2302 71.0642 172.8951 130 Y 4.9339 8.0511 121.7798 56.3916 42.0967 175.6793 131 K 4.2856 8.1126 122.7358 55.7495 33.8490 177.4996 132 P 4.7649 0.0000 0.0000 62.9874 30.7549 177.3567 133 H 4.1942 9.1620 125.9979 59.4567 29.6339 173.4697 134 P 4.1830 0.0000 0.0000 62.0924 31.6301 175.7121 135 E 4.0127 8.5415 122.5962 56.7379 30.6850 177.5209 136 V 4.7058 7.6951 115.6525 60.5654 32.2853 167.0761 137 P 4.4626 0.0000 0.0000 64.0871 32.1622 176.3840 138 I 4.2759 9.3079 128.3197 59.4307 38.7138 175.1418 139 Q 4.5577 8.6825 128.6929 56.4052 29.9228 176.6541 140 L 4.3936 9.3850 121.6486 54.7012 44.6752 173.1757 141 K 5.7665 8.6257 124.8975 54.3137 35.1593 175.8219 142 V 4.0473 8.2434 119.3847 62.2152 34.3703 170.8000 143 S 4.5774 8.7112 112.2908 57.8874 62.2786 168.0871 144 V 4.7531 8.1569 135.0000 63.2856 34.8759 169.1120 145 V 2.9377 8.1694 121.5894 62.9222 30.8535 173.2660 146 A 4.2136 7.7137 124.5793 51.4093 18.4291 176.4969 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 8.15 4.60 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 2 K 8.14 4.57 0.00 1.89 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.54 7.81 3 V 9.09 4.55 2.40 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 0.63 0.00 0.00 1.00 0.00 0.00 4 I 8.65 4.68 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 1.23 0.75 0.91 0.00 0.00 5 L 8.35 4.62 0.00 1.71 1.60 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.44 4.76 0.00 1.45 1.63 0.96 0.98 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 7 E 8.06 4.75 0.00 1.83 1.76 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 2.19 2.39 0.00 8 P 0.00 4.92 0.00 2.22 2.12 0.00 3.85 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 1.95 1.95 0.00 9 L 7.99 3.95 0.00 1.85 1.80 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.06 3.83 0.00 1.97 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 2.32 2.29 0.00 11 N 8.79 4.09 0.00 2.76 2.94 0.00 0.00 6.88 8.61 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 12 L 7.96 4.30 0.00 1.87 1.79 0.94 1.28 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 13 G 8.05 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 14 D 9.79 4.72 0.00 2.69 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 15 V 8.32 3.92 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 1.04 0.00 0.00 0.96 0.00 0.00 16 G 8.42 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 17 Q 7.49 4.43 0.00 2.46 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 18 V 8.68 5.07 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 0.87 0.00 0.00 0.94 0.00 0.00 19 V 8.18 4.68 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 0.86 0.00 0.00 0.94 0.00 0.00 20 D 8.72 5.24 0.00 2.86 2.71 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 21 V 8.29 4.57 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 0.67 0.00 0.00 1.08 0.00 0.00 22 K 8.90 3.86 0.00 1.89 1.81 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.49 7.81 23 P 0.00 4.34 0.00 2.18 2.13 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.09 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 0.00 0.00 0.00 25 Y 8.12 4.14 0.00 3.01 3.21 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 26 A 8.47 3.99 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 27 R 8.02 3.90 0.00 1.80 2.02 0.00 3.17 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 28 N 8.15 4.82 0.00 2.82 2.85 0.00 0.00 6.76 6.99 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 29 Y 7.43 4.55 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 3.68 0.00 1.73 1.46 1.14 0.28 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 31 L 8.27 4.05 0.00 1.78 1.71 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.17 0.00 1.93 2.06 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 33 R 7.38 4.01 0.00 1.51 1.81 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 34 G 7.50 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 35 L 7.35 4.74 0.00 1.42 1.55 0.58 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.09 4.68 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 37 V 8.28 4.52 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 1.10 0.00 0.00 0.91 0.00 0.00 38 L 8.43 4.48 0.00 1.55 1.58 0.91 0.79 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 39 A 8.40 4.37 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 40 T 7.86 4.05 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 41 E 8.88 3.87 0.00 2.03 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 0.00 2.42 2.41 0.00 42 S 8.18 4.07 0.00 3.88 3.80 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 43 N 7.98 4.36 0.00 2.92 2.88 0.00 0.00 7.23 7.52 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 44 L 8.30 4.14 0.00 1.81 1.70 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.48 4.13 0.00 1.97 2.06 0.00 1.30 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 1.79 1.45 7.81 46 A 7.72 4.38 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 47 L 8.07 4.08 0.00 1.90 1.75 0.92 0.70 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 48 E 8.22 3.92 0.00 2.27 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 2.38 2.62 0.00 49 A 7.52 3.95 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 50 R 7.72 4.05 0.00 2.08 2.20 0.00 2.77 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 51 I 8.05 4.02 2.06 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 1.58 0.86 0.91 0.00 0.00 52 R 7.31 3.98 0.00 1.92 2.08 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 53 A 8.23 4.05 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 54 Q 7.39 4.12 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 55 A 8.42 4.05 1.37 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 0.00 0.00 0.00 56 K 8.45 4.00 0.00 1.99 2.28 0.00 1.24 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.68 7.81 57 R 8.07 3.92 0.00 2.01 2.07 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 58 L 7.98 3.98 0.00 1.78 1.75 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.76 4.03 1.32 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 0.00 0.00 60 E 10.13 3.87 0.00 2.14 1.90 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 2.31 2.33 0.00 61 R 7.95 4.14 0.00 1.97 1.96 0.00 3.17 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 62 K 8.07 4.14 0.00 2.06 2.28 0.00 1.20 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.65 7.81 63 A 8.17 4.03 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 64 E 7.78 4.03 0.00 2.32 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 2.33 2.48 0.00 65 A 7.94 4.01 1.32 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 0.00 0.00 66 E 8.18 3.95 0.00 2.10 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 2.59 2.32 0.00 67 R 7.92 4.09 0.00 2.05 2.01 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 68 L 7.41 4.42 0.00 1.94 1.64 0.96 0.53 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 69 K 7.71 4.29 0.00 1.89 1.80 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.54 7.81 70 E 7.77 4.12 0.00 2.07 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 2.48 2.45 0.00 71 I 7.14 4.32 2.00 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 1.54 0.78 0.98 0.00 0.00 72 L 7.54 4.67 0.00 1.75 1.66 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.80 4.39 0.00 1.98 1.94 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 2.36 2.26 0.00 74 N 7.08 4.76 0.00 2.77 2.68 0.00 0.00 6.11 7.79 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 75 L 7.93 4.89 0.00 1.62 1.59 0.93 0.78 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 76 T 8.50 4.53 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 1.24 0.00 0.00 77 L 8.29 3.53 0.00 2.12 1.57 0.94 0.72 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 78 T 8.50 3.48 4.38 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 1.22 0.00 0.00 79 I 7.33 4.80 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.90 0.00 0.00 80 P 0.00 4.33 0.00 2.33 2.12 0.00 3.72 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 2.00 1.99 0.00 81 V 8.17 4.48 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 0.99 0.00 0.00 1.02 0.00 0.00 82 R 8.45 4.51 0.00 1.97 2.17 0.00 3.25 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 83 A 8.04 3.49 0.96 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 84 G 9.59 4.19 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 0.00 85 E 8.75 4.03 0.00 2.12 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 0.00 2.20 2.25 0.00 86 T 7.26 4.62 4.21 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 1.20 0.00 0.00 87 K 8.10 4.04 0.00 1.67 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 88 I 7.86 4.05 1.99 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 1.37 1.43 0.93 0.00 0.00 89 Y 7.82 4.50 0.00 3.03 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 90 G 7.05 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 91 S 8.33 4.54 0.00 3.82 3.66 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 92 V 8.16 4.40 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 0.99 0.00 0.00 0.89 0.00 0.00 93 T 8.32 4.96 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 94 A 8.85 3.90 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 95 K 8.14 3.67 0.00 1.74 1.79 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 96 D 8.42 4.48 0.00 2.97 2.62 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 97 I 8.51 3.57 1.91 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 1.39 0.27 0.85 0.00 0.00 98 A 8.04 4.02 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 99 E 8.90 3.90 0.00 1.87 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 2.32 2.34 0.00 100 A 8.74 4.12 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 0.00 101 L 8.36 4.23 0.00 1.74 1.64 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.32 5.62 0.00 4.08 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 0.00 103 R 8.24 3.63 0.00 1.77 2.11 0.00 3.30 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 104 Q 8.15 4.29 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 105 H 9.50 4.74 0.00 3.13 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 6.95 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 0.00 0.00 0.00 107 V 7.22 4.09 2.26 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 0.88 0.00 0.00 0.99 0.00 0.00 108 T 7.96 4.62 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 1.21 0.00 0.00 109 I 7.79 4.40 1.51 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.95 0.00 0.00 110 D 8.08 4.49 0.00 2.74 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 0.00 111 P 0.00 4.12 0.00 2.02 2.00 0.00 3.63 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 1.99 2.05 0.00 112 K 7.80 4.17 0.00 1.80 2.16 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.43 7.81 113 R 7.10 4.57 0.00 2.15 1.91 0.00 3.28 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 114 L 8.29 4.93 0.00 1.53 1.60 0.79 0.82 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 0.00 115 A 8.10 3.78 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 0.00 0.00 0.00 0.00 0.00 116 L 7.69 4.72 0.00 1.49 1.46 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.69 4.52 0.00 2.08 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 2.24 2.34 0.00 118 K 9.18 3.67 0.00 1.86 1.90 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.49 7.81 119 P 0.00 4.36 0.00 2.02 2.15 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 2.01 2.09 0.00 120 I 8.19 3.43 1.73 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.69 0.00 0.00 121 K 9.73 4.01 0.00 1.92 2.04 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.32 7.81 122 E 7.68 4.62 0.00 1.95 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 2.25 2.41 0.00 123 L 9.52 4.67 0.00 1.66 1.56 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.98 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 0.00 125 E 7.75 4.67 0.00 1.91 1.77 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 2.16 2.27 0.00 126 Y 8.45 4.74 0.00 3.11 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 0.00 127 V 8.41 4.58 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 0.84 0.00 0.00 0.98 0.00 0.00 128 L 8.70 4.86 0.00 1.71 1.59 1.00 0.91 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 0.00 129 T 8.34 4.97 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 1.25 0.00 0.00 130 Y 8.05 4.93 0.00 2.95 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 0.00 131 K 8.11 4.29 0.00 1.90 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.47 7.81 132 P 0.00 4.76 0.00 2.02 1.32 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 133 H 9.16 4.19 0.00 3.13 3.33 0.00 5.73 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 0.00 134 P 0.00 4.18 0.00 2.24 2.07 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 135 E 8.54 4.01 0.00 1.82 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 2.27 2.26 0.00 136 V 7.70 4.71 1.94 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 0.45 0.00 0.00 0.90 0.00 0.00 137 P 0.00 4.46 0.00 2.12 2.16 0.00 3.91 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 138 I 9.31 4.28 1.98 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 1.27 1.42 1.05 0.00 0.00 139 Q 8.68 4.56 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 140 L 9.39 4.39 0.00 1.71 1.57 0.95 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.63 5.77 0.00 1.80 1.97 0.00 1.31 0.00 0.00 2.41 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.26 7.81 142 V 8.24 4.05 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 0.76 0.00 0.00 0.98 0.00 0.00 143 S 8.71 4.58 0.00 3.93 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 0.00 144 V 8.16 4.75 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 0.76 0.00 0.00 0.94 0.00 0.00 145 V 8.17 2.94 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 0.73 0.00 0.00 0.95 0.00 0.00 146 A 7.71 4.21 1.30 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 0.00 0.00 0.00