NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0446 8.5298 119.6700 55.4162 33.2575 174.6413 2 N 4.5697 7.2844 121.2133 49.3955 41.7742 173.6707 3 I 3.5988 9.1626 120.6883 64.3647 38.2201 178.6711 4 F 4.0961 8.1755 117.8629 60.7568 38.4541 177.4131 5 E 3.9977 8.6911 118.2013 59.3430 29.2391 179.0586 6 M 3.7295 8.1567 118.6562 58.6951 32.2535 178.4136 7 L 3.9654 8.2380 119.5289 57.6230 41.8566 179.4001 8 R 3.6579 8.3035 118.6956 59.1914 29.6558 178.5426 9 I 3.9209 7.2818 118.9392 64.0624 37.3202 177.5889 10 D 4.5798 7.9052 118.6527 56.6052 40.7943 177.1567 11 E 4.2894 8.5157 117.7412 55.4504 30.6357 177.1995 12 G 3.8666 7.8872 107.2896 44.4907 0.0000 171.6857 13 L 4.9149 8.0826 119.2241 53.0347 44.4838 175.6024 14 R 4.5692 8.6851 124.1229 54.7335 33.7902 175.5990 15 L 4.4496 8.8292 123.1540 55.1595 42.9985 176.0690 16 K 5.0841 7.7513 120.2732 54.0874 34.7073 175.4394 17 I 4.1970 8.0269 128.3212 61.9641 38.4372 174.0920 18 Y 4.8733 9.0583 120.7829 56.8026 41.6842 173.1116 19 K 4.5918 8.6855 119.6451 54.5418 33.7291 176.6791 20 D 4.8113 8.7077 123.8466 52.3377 40.4664 177.1980 21 T 3.8696 8.5013 109.1533 64.1058 68.3228 174.4165 22 E 4.2944 8.8632 119.8181 55.7905 30.2615 176.6255 23 G 3.6542 9.4917 107.2393 45.2182 0.0000 173.2584 24 Y 4.8071 7.1856 116.9194 56.9073 40.0496 174.5377 25 Y 4.6639 8.6422 120.4337 58.7933 39.2935 175.1863 26 T 4.9685 9.0907 119.4081 62.7774 74.0626 172.1166 27 I 4.7865 8.5358 122.1215 59.3409 42.6535 177.2417 28 G 3.8722 9.3720 115.3169 47.2077 0.0000 176.3173 29 I 4.9321 7.9332 118.6808 58.8103 35.7218 174.9916 30 G 4.0213 8.2750 104.9523 46.5636 0.0000 171.7658 31 H 4.3584 8.2513 121.0999 54.3353 28.7209 173.9119 32 L 4.2839 7.9798 129.0615 54.9911 42.4428 176.2865 33 L 4.3227 8.6365 127.5343 57.4282 42.9950 177.9686 34 T 4.1246 7.3970 119.3562 61.8051 67.5390 174.1105 *40A S 4.2101 8.4642 112.2595 57.7960 64.1037 174.5052 40B L 3.0645 8.1140 129.9851 58.0185 41.8274 178.8230 40C D 4.1972 7.8705 118.1487 57.2155 40.7693 178.3670 41 A 3.9193 7.7826 120.5801 55.1057 18.2908 179.5558 42 A 3.8692 8.1317 119.6714 55.2312 18.3678 180.0277 43 K 3.8645 8.6476 118.1183 59.3860 31.9915 179.5948 44 S 4.0155 8.2668 113.8049 61.4295 62.3852 175.7232 45 E 3.9230 8.3484 121.6490 59.5826 29.2762 179.2516 46 L 3.9543 8.1782 120.2474 58.4046 42.0481 178.7802 47 D 4.5647 8.1443 120.1601 56.7581 40.5071 178.7373 48 K 3.9290 8.1164 119.2012 59.2912 32.2390 178.5123 49 A 4.1255 8.0088 120.6396 54.6839 18.3760 178.9181 50 I 4.1458 7.7586 116.7872 60.9537 37.7147 176.8979 51 G 3.9074 9.0373 107.4623 45.6843 0.0000 172.9852 52 R 4.5057 7.3413 114.3269 54.3196 32.2911 173.8122 53 N 4.7673 8.4624 117.5519 53.1088 37.7700 174.3001 54 T 4.0196 10.0579 118.2367 61.8129 69.5635 176.2219 55 N 3.9446 9.3427 117.5822 54.0840 37.7674 174.1815 56 G 4.0600 8.7668 104.6198 45.0947 0.0000 173.1748 57 V 5.1502 7.6706 118.8661 60.8709 34.2878 174.6161 58 I 4.9961 8.8374 120.4624 59.1343 41.0711 174.9207 59 T 4.2930 8.3911 113.7110 60.7872 70.4004 175.8128 60 K 3.9833 8.6741 121.9001 59.5710 32.1262 178.1857 61 D 4.4000 8.1115 118.7657 57.5095 40.8856 178.5386 62 E 3.9523 8.0736 118.1174 59.5073 29.5705 179.3270 63 A 4.1108 8.0798 120.7095 55.2842 18.3506 179.5488 64 E 4.2352 8.5283 117.2322 59.1671 29.5527 179.3685 65 K 3.9845 8.0949 119.9569 59.5152 32.2112 178.8559 66 L 4.0458 7.9542 119.1132 57.7551 41.4517 179.3161 67 F 4.7007 8.3359 120.4926 61.5316 39.3821 176.8341 68 N 4.4182 8.5282 116.1889 56.6097 38.3414 177.3889 69 Q 4.0483 8.2349 119.2742 59.2009 28.8025 178.7079 70 D 4.3975 8.6468 120.2635 57.2283 40.8567 179.0465 71 V 3.6463 8.1697 119.2041 65.8136 31.4470 177.5108 72 D 4.3087 8.1464 117.6840 57.4183 40.9931 178.1965 73 A 3.9800 8.1942 121.0608 54.9636 18.3003 179.4868 74 A 3.8857 8.0361 119.3601 55.1956 18.4660 179.9142 75 V 3.3497 7.7333 116.6803 66.3252 31.6131 178.4188 76 R 3.9542 7.9833 117.8217 59.1208 29.9134 179.3042 77 G 3.5642 8.2684 105.6281 47.7939 0.0000 175.5954 78 I 3.6259 7.4999 121.3267 64.2482 37.2644 178.3817 79 L 4.0481 7.7317 117.4927 56.8283 41.4934 178.7670 80 R 4.3372 7.5817 116.5253 55.6150 30.8305 175.7485 81 N 4.5775 7.4741 118.8204 52.3812 39.5370 175.7143 82 A 4.0373 8.6186 127.5815 54.5898 18.5710 178.8148 83 K 4.2024 9.2951 117.3781 58.4413 32.7571 178.6756 84 L 4.2714 7.9704 118.6802 56.9671 41.9587 178.6308 85 K 3.8951 8.3511 120.3127 59.2272 31.8701 177.0280 86 P 4.4104 0.0000 0.0000 65.7205 31.5760 178.3316 87 V 3.7469 7.7509 117.6746 65.9091 31.5948 177.0842 88 Y 4.0666 8.3682 119.5811 61.0623 38.4309 177.9814 89 D 4.5045 8.5991 119.0624 57.0557 41.0085 178.1468 90 S 4.4334 7.7084 111.8658 58.4104 63.7183 174.2054 91 L 4.5689 6.8865 122.9517 53.6198 43.1258 176.4992 92 D 4.5981 8.1866 120.4579 52.6127 41.6180 177.0684 93 A 3.8885 8.3662 121.8142 55.3797 18.5922 179.9941 94 V 3.0840 7.4711 115.9017 66.1206 31.7461 178.4384 95 R 3.5828 7.7035 117.3954 59.0593 29.7955 179.2158 96 R 3.7824 7.8847 117.8204 59.1164 29.9571 178.8747 97 A 4.0310 7.7198 120.1219 55.0088 18.4702 179.5180 98 A 3.6526 7.3816 118.8427 55.0486 18.3464 179.4853 99 L 4.2339 8.0868 118.8809 58.4113 42.1200 179.2619 100 I 3.7876 8.0159 119.9250 64.1613 37.0247 177.7745 101 N 4.2978 8.2814 117.9399 57.1089 38.7864 176.6767 102 M 3.9554 7.9014 119.4466 58.4305 31.9830 178.9514 103 V 3.5307 7.7424 118.0924 65.8797 31.4809 177.7082 104 F 4.0188 8.3522 119.5749 61.3670 39.2918 176.6888 105 Q 4.3157 8.3584 117.9838 58.8903 29.1495 177.0176 106 M 4.5320 8.5679 114.3125 53.7541 32.4657 176.2590 107 G 4.1032 8.0528 107.4371 46.2170 0.0000 174.4362 108 E 3.9099 8.6511 121.1030 59.3629 29.4670 179.5898 109 T 3.9511 7.8790 115.3571 66.5710 68.4282 176.6928 110 G 3.6928 7.9884 105.7062 47.9493 0.0000 175.4103 111 V 3.6545 7.9123 120.7507 65.4972 31.3009 177.7527 112 A 4.1275 8.1946 120.1126 55.1641 18.2369 179.0652 113 G 3.8426 7.7683 101.0473 45.4537 0.0000 174.1399 114 F 4.6379 8.6679 121.0391 57.9894 39.5808 178.1067 115 T 3.9031 7.8614 117.3885 67.2226 68.7164 175.2486 116 N 4.3829 8.1498 117.5433 56.3642 38.6534 177.6001 117 S 4.1559 8.0810 116.1163 61.5482 62.9777 176.4487 118 L 3.9386 8.1381 121.7973 57.9098 41.3634 179.6478 119 R 3.9128 7.8588 118.0432 59.5518 30.0999 178.5396 120 M 3.9717 7.8009 118.1298 58.2698 31.9476 178.6767 121 L 3.9816 8.2685 119.5052 57.8707 41.5730 179.3623 122 Q 3.9910 8.1911 118.7855 59.0536 29.0413 177.4540 123 Q 4.1616 7.7660 116.0486 54.8453 28.8374 175.7644 124 K 2.0000 7.1871 118.0525 56.8019 30.4565 177.3093 125 R 4.0093 6.7836 118.6138 54.0519 28.0513 176.2717 126 W 4.6456 7.4108 122.9982 60.0885 29.7231 177.4245 127 D 4.5029 8.1805 118.1001 57.3366 40.2667 178.6161 128 E 3.9853 8.1404 118.5536 59.3661 29.5927 179.0542 129 A 4.0035 8.1955 120.5866 54.8906 18.2287 179.5660 130 A 4.0371 8.0362 119.2320 55.2861 18.2288 180.0568 131 V 3.5045 7.4821 115.3482 66.1328 31.9943 177.5092 132 N 4.4633 8.3800 116.9164 56.7461 38.6144 176.8072 133 L 4.3551 8.4478 119.4235 57.8460 41.7963 179.1072 134 A 3.6065 7.5255 119.7068 53.4657 19.5390 178.3208 135 K 4.3442 7.4835 119.5253 54.5691 30.9057 176.4111 136 S 4.7331 7.4409 115.2189 55.7607 67.7860 175.0927 137 R 3.9410 8.7028 122.5695 59.3504 29.8884 178.1400 138 W 4.5363 8.6619 127.8090 61.0817 30.2714 177.1231 139 Y 3.5777 8.1414 118.5600 60.7806 38.0596 177.7323 140 N 4.2726 8.1059 116.0896 56.0358 38.6474 177.0062 141 Q 4.2828 8.5405 119.3942 57.2771 30.6218 176.5109 142 T 4.5739 7.6715 109.1055 58.2526 68.7963 172.4036 143 P 3.6380 0.0000 0.0000 65.9033 31.6729 178.4644 144 N 4.1570 7.7968 115.6943 55.8386 38.5825 177.1056 145 R 3.7702 7.8056 119.2516 59.3525 30.2508 177.8534 146 A 3.4374 7.7605 120.6330 55.2508 18.1155 179.5545 147 K 3.9024 8.2664 116.9051 59.7974 32.1066 179.7200 148 R 3.7625 7.7925 118.0570 59.2397 29.9814 179.1931 149 V 3.7110 7.9770 117.8847 66.2113 31.5038 178.0114 150 I 4.0849 8.2278 119.5904 65.0200 36.9066 178.6221 151 T 3.9193 8.3074 116.5757 66.7934 68.1119 176.9775 152 T 3.7595 7.7259 117.4908 66.4878 68.2075 176.9139 153 F 4.1137 7.9015 118.9557 60.4045 39.0166 177.4851 154 R 4.1610 8.3385 118.1390 59.2189 30.0161 177.8704 155 T 4.2262 8.0428 108.1161 61.2125 69.6171 175.9368 156 G 3.4781 7.8402 108.3735 45.5144 0.0000 172.4475 157 T 4.4138 7.4262 108.5119 59.4354 71.7061 173.5099 158 W 4.9546 8.3271 117.9035 56.7803 29.2121 178.2985 159 D 4.4441 8.5486 122.5914 57.5452 40.2907 178.6020 160 A 4.0992 8.1326 119.7009 53.9390 18.5388 177.1384 161 Y 4.4463 8.0735 111.7904 57.5369 39.2385 176.1033 162 K 4.2409 7.7730 124.6561 56.4394 32.3251 176.0754 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 8.53 4.04 0.00 0.51 1.42 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.00 2 N 7.28 4.57 0.00 3.06 2.77 0.00 0.00 5.80 6.81 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 3 I 9.16 3.60 1.86 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 1.42 0.99 0.69 0.00 0.00 4 F 8.18 4.10 0.00 3.24 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 5 E 8.69 4.00 0.00 1.92 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 2.31 2.49 0.00 6 M 8.16 3.73 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.08 0.00 7 L 8.24 3.97 0.00 1.79 1.38 0.27 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.30 3.66 0.00 1.84 2.06 0.00 2.98 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 9 I 7.28 3.92 2.16 0.00 0.00 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 1.56 0.76 1.07 0.00 0.00 10 D 7.91 4.58 0.00 2.74 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 11 E 8.52 4.29 0.00 1.91 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 2.38 2.39 0.00 12 G 7.89 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 13 L 8.08 4.91 0.00 1.48 1.47 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.69 4.57 0.00 1.72 1.60 0.00 2.77 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.15 0.00 15 L 8.83 4.45 0.00 1.62 1.91 0.93 0.88 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 16 K 7.75 5.08 0.00 1.74 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.57 7.81 17 I 8.03 4.20 1.98 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 1.34 0.79 1.08 0.00 0.00 18 Y 9.06 4.87 0.00 2.94 3.06 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 19 K 8.69 4.59 0.00 1.65 1.56 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.55 0.84 7.81 20 D 8.71 4.81 0.00 2.85 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 21 T 8.50 3.87 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 1.28 0.00 0.00 22 E 8.86 4.29 0.00 1.29 1.69 0.00 0.00 0.00 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 2.22 0.00 23 G 9.49 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.19 4.81 0.00 2.99 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 25 Y 8.64 4.66 0.00 2.93 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 26 T 9.09 4.97 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 1.09 0.00 0.00 27 I 8.54 4.79 1.93 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 1.27 1.48 0.99 0.00 0.00 28 G 9.37 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 29 I 7.93 4.93 1.41 0.00 0.00 0.65 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 1.35 0.10 0.00 0.00 30 G 8.27 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 31 H 8.25 4.36 0.00 3.39 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.98 4.28 0.00 1.58 1.43 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.64 4.32 0.00 1.78 1.71 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.40 4.12 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 1.50 0.00 0.00 *40A S 8.46 4.21 0.00 3.96 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 40B L 8.11 3.06 0.00 1.52 1.50 0.71 1.26 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 40C D 7.87 4.20 0.00 2.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 3.92 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 42 A 8.13 3.87 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 43 K 8.65 3.86 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 44 S 8.27 4.02 0.00 3.90 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 45 E 8.35 3.92 0.00 2.17 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 2.51 2.46 0.00 46 L 8.18 3.95 0.00 1.80 1.84 0.94 1.39 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 47 D 8.14 4.56 0.00 2.86 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 48 K 8.12 3.93 0.00 1.74 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 8.01 4.13 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 50 I 7.76 4.15 1.95 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 1.60 0.91 0.95 0.00 0.00 51 G 9.04 3.91 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 0.00 0.00 0.00 52 R 7.34 4.51 0.00 1.95 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 N 8.46 4.77 0.00 2.69 2.81 0.00 0.00 6.99 7.70 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 54 T 10.06 4.02 4.44 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 1.33 0.00 0.00 55 N 9.34 3.94 0.00 2.85 2.93 0.00 0.00 7.29 7.98 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 56 G 8.77 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 0.00 0.00 0.00 57 V 7.67 5.15 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 0.90 0.00 0.00 0.96 0.00 0.00 58 I 8.84 5.00 2.00 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 1.48 0.89 0.94 0.00 0.00 59 T 8.39 4.29 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 60 K 8.67 3.98 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.54 7.81 61 D 8.11 4.40 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.95 0.00 2.19 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 2.35 2.35 0.00 63 A 8.08 4.11 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 64 E 8.53 4.24 0.00 2.23 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 2.49 2.50 0.00 65 K 8.09 3.98 0.00 1.87 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 66 L 7.95 4.05 0.00 2.03 1.70 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.34 4.70 0.00 3.39 3.39 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 68 N 8.53 4.42 0.00 3.01 2.90 0.00 0.00 7.07 6.95 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 69 Q 8.23 4.05 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 70 D 8.65 4.40 0.00 3.18 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.17 3.65 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 0.47 0.00 0.00 0.16 0.00 0.00 72 D 8.15 4.31 0.00 2.99 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 73 A 8.19 3.98 1.38 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 0.00 0.00 0.00 74 A 8.04 3.89 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 75 V 7.73 3.35 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 0.90 0.00 0.00 0.94 0.00 0.00 76 R 7.98 3.95 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 77 G 8.27 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.50 3.63 1.74 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 1.48 0.63 0.55 0.00 0.00 79 L 7.73 4.05 0.00 1.52 1.66 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.58 4.34 0.00 1.99 1.95 0.00 3.13 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 81 N 7.47 4.58 0.00 2.99 2.77 0.00 0.00 6.91 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.62 4.04 1.31 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 0.00 0.00 0.00 83 K 9.30 4.20 0.00 1.75 1.88 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 84 L 7.97 4.27 0.00 1.82 1.71 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.35 3.90 0.00 1.97 1.86 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.50 7.81 86 P 0.00 4.41 0.00 2.26 2.19 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 87 V 7.75 3.75 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 1.06 0.00 0.00 0.95 0.00 0.00 88 Y 8.37 4.07 0.00 3.21 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 89 D 8.60 4.50 0.00 2.91 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 90 S 7.71 4.43 0.00 4.06 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 91 L 6.89 4.57 0.00 1.61 1.57 1.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.19 4.60 0.00 2.78 2.75 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 93 A 8.37 3.89 1.31 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 0.00 0.00 0.00 94 V 7.47 3.08 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 -0.17 0.00 0.00 0.45 0.00 0.00 95 R 7.70 3.58 0.00 1.80 2.03 0.00 2.74 0.00 0.00 2.60 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 96 R 7.88 3.78 0.00 1.81 1.69 0.00 2.81 0.00 0.00 2.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 97 A 7.72 4.03 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 98 A 7.38 3.65 0.03 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 0.00 0.00 99 L 8.09 4.23 0.00 2.09 2.07 0.98 1.02 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 0.00 100 I 8.02 3.79 2.06 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 1.48 1.01 0.91 0.00 0.00 101 N 8.28 4.30 0.00 2.89 3.04 0.00 0.00 7.21 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 0.00 102 M 7.90 3.96 0.00 1.66 1.97 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.02 0.00 103 V 7.74 3.53 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 1.00 0.00 0.00 0.93 0.00 0.00 104 F 8.35 4.02 0.00 3.18 3.28 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 0.00 105 Q 8.36 4.32 0.00 2.44 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 106 M 8.57 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 107 G 8.05 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 0.00 108 E 8.65 3.91 0.00 2.02 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 2.38 0.00 109 T 7.88 3.95 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 0.00 110 G 7.99 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 3.65 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 0.93 0.00 0.00 0.85 0.00 0.00 112 A 8.19 4.13 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 0.00 113 G 7.77 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 0.00 114 F 8.67 4.64 0.00 3.07 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 0.00 115 T 7.86 3.90 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 0.00 116 N 8.15 4.38 0.00 2.73 2.86 0.00 0.00 7.02 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 0.00 117 S 8.08 4.16 0.00 4.18 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 0.00 118 L 8.14 3.94 0.00 1.69 1.71 1.02 0.70 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 0.00 119 R 7.86 3.91 0.00 1.88 2.06 0.00 3.07 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 120 M 7.80 3.97 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 121 L 8.27 3.98 0.00 1.73 1.76 0.30 0.94 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 0.00 122 Q 8.19 3.99 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 123 Q 7.77 4.16 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 124 K 7.19 2.00 0.00 1.32 0.74 0.00 1.76 0.00 0.00 2.07 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.13 1.19 7.81 125 R 6.78 4.01 0.00 1.70 1.89 0.00 3.02 0.00 0.00 3.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 126 W 7.41 4.65 0.00 3.42 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 0.00 127 D 8.18 4.50 0.00 2.81 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 0.00 128 E 8.14 3.99 0.00 1.98 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 2.39 2.37 0.00 129 A 8.20 4.00 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 0.00 130 A 8.04 4.04 1.50 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 0.00 0.00 131 V 7.48 3.50 2.22 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 0.82 0.00 0.00 0.99 0.00 0.00 132 N 8.38 4.46 0.00 2.89 2.97 0.00 0.00 7.27 6.23 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 0.00 133 L 8.45 4.36 0.00 2.00 2.22 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.53 3.61 0.74 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 0.00 135 K 7.48 4.34 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 136 S 7.44 4.73 0.00 4.29 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 0.00 137 R 8.70 3.94 0.00 1.97 2.10 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 138 W 8.66 4.54 0.00 3.66 3.61 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 0.00 139 Y 8.14 3.58 0.00 3.01 3.20 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 0.00 140 N 8.11 4.27 0.00 2.92 2.88 0.00 0.00 7.12 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 0.00 141 Q 8.54 4.28 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.24 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 142 T 7.67 4.57 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 1.25 0.00 0.00 143 P 0.00 3.64 0.00 1.89 1.71 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 144 N 7.80 4.16 0.00 2.66 2.81 0.00 0.00 6.76 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 0.00 145 R 7.81 3.77 0.00 1.90 1.91 0.00 3.34 0.00 0.00 3.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 146 A 7.76 3.44 0.21 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 0.00 147 K 8.27 3.90 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.77 7.81 148 R 7.79 3.76 0.00 1.90 1.44 0.00 2.21 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.00 149 V 7.98 3.71 2.56 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 1.25 0.00 0.00 1.26 0.00 0.00 150 I 8.23 4.08 2.00 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 1.83 0.96 1.03 0.00 0.00 151 T 8.31 3.92 4.46 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 1.21 0.00 0.00 152 T 7.73 3.76 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 0.74 0.00 0.00 153 F 7.90 4.11 0.00 3.27 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 0.00 154 R 8.34 4.16 0.00 2.05 2.00 0.00 3.41 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 155 T 8.04 4.23 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 1.23 0.00 0.00 156 G 7.84 3.48 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 0.00 0.00 0.00 0.00 157 T 7.43 4.41 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 1.16 0.00 0.00 158 W 8.33 4.95 0.00 3.42 3.20 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 0.00 159 D 8.55 4.44 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 0.00 160 A 8.13 4.10 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 0.00 161 Y 8.07 4.45 0.00 3.26 3.06 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 0.00 162 K 7.77 4.24 0.00 1.79 1.74 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.