NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2155 8.0093 121.4398 61.5925 38.2675 175.4884 5 N 4.8486 8.4448 121.4653 50.4268 38.3317 172.4568 6 T 4.6712 8.5038 110.8050 60.6526 73.1154 176.3184 7 F 4.2280 8.4096 120.2797 61.0913 38.9585 177.7717 8 D 4.5277 8.3451 118.1247 57.1303 40.6818 178.5955 9 G 3.7507 7.9687 106.1464 48.1409 0.0000 175.8889 10 V 3.6519 8.3215 121.5191 65.2345 31.6304 177.8717 11 A 4.0627 8.3386 120.7282 55.4000 18.1778 179.3793 12 D 4.2696 8.4210 117.4345 57.5974 40.8554 178.3365 13 Y 3.8858 8.0651 119.9903 60.7335 38.7657 178.0666 14 L 4.1603 8.2829 120.0101 57.9092 41.4814 179.4700 15 Q 3.7440 7.7652 116.8086 59.2959 28.7601 178.9823 16 T 3.5325 7.3155 114.9424 66.0018 68.3313 175.9435 17 Y 4.4090 7.7329 116.6161 56.7458 38.7173 175.6495 18 H 3.7288 7.7660 116.3064 55.8565 26.7902 174.2621 19 K 4.5804 7.1815 111.7610 56.1769 35.4529 174.7081 20 L 4.1294 8.3847 119.6784 53.5398 42.2970 175.4055 21 P 3.5482 0.0000 0.0000 62.1950 31.7734 177.2818 22 D 4.3638 8.3681 119.1596 57.5087 40.9321 177.7193 23 N 4.4367 7.9793 113.9927 53.7363 37.4686 173.3920 24 Y 4.9291 7.3739 117.8125 56.8925 39.5197 175.1244 25 I 4.8178 8.8305 116.2697 58.9255 41.7042 174.8409 26 A 4.7172 8.7296 125.8161 50.8900 19.7355 178.9159 27 K 3.9291 9.1090 118.8955 59.8730 32.0839 180.2029 28 S 4.4151 8.1337 113.9617 61.3945 62.7315 176.3202 29 E 3.9706 8.1581 120.8685 59.0802 29.5858 178.5157 30 A 4.1685 8.0905 120.7890 55.4299 18.5196 179.5725 31 Q 4.3244 8.9512 116.7082 59.0223 28.5986 178.2203 32 A 4.4435 7.7109 118.4705 52.4828 18.9521 178.2127 33 L 4.4495 7.8460 117.7568 54.5495 42.2217 177.3319 34 G 4.1522 7.6739 107.5639 44.8483 0.0000 173.6326 35 W 4.4441 8.1228 129.7101 56.9365 31.2662 175.5799 36 V 3.6778 9.2734 125.5961 60.5204 32.4400 175.3930 37 A 3.6139 7.3139 131.4251 55.2273 18.0163 179.4959 38 S 4.5032 7.8163 107.2709 60.2433 63.2533 174.8873 39 K 4.2107 8.0429 119.9847 55.7540 32.4944 176.5573 40 G 2.9715 7.3541 106.9682 46.3260 0.0000 173.6934 41 N 4.8657 7.9670 113.2137 52.2662 38.1264 176.0455 42 L 3.9624 8.5298 122.6018 59.1730 41.6854 178.8089 43 A 4.0848 8.0993 118.1683 54.7193 18.4336 178.6183 44 D 4.4907 7.9602 116.9646 56.7949 41.1842 178.5885 45 V 4.1235 7.8012 110.7874 61.9780 33.6829 176.5013 46 A 4.6692 8.1119 121.3120 49.3672 19.3043 172.8605 47 P 4.4492 0.0000 0.0000 63.5272 32.2320 177.6554 48 G 3.9010 8.9280 110.4662 45.1970 0.0000 173.0660 49 K 4.7353 7.5238 118.4177 54.9021 34.3025 176.0686 50 S 4.5881 8.1857 117.8261 56.4593 66.9769 173.5582 51 I 4.2462 7.8871 123.8012 61.4040 37.7018 175.2143 52 G 4.3788 9.3477 111.7784 46.7459 0.0000 174.1973 53 G 4.3655 9.4588 110.6858 44.5690 0.0000 173.9496 54 D 4.8062 8.0044 119.4125 53.4027 42.7783 175.8034 55 I 4.2031 8.3057 121.6451 61.6390 37.8172 175.1828 56 F 4.8077 9.0207 129.6396 56.5160 39.7284 175.8487 57 S 3.8856 7.9363 120.5693 59.2519 62.7186 173.7225 58 N 3.9235 6.4120 116.7546 54.0735 37.1522 176.0170 59 R 3.8107 6.9685 114.1178 58.6828 30.1882 177.7755 60 E 4.1972 8.1017 114.2875 55.8073 29.7791 176.5165 61 G 3.8909 7.9992 106.7707 46.3576 0.0000 175.6176 62 K 4.0456 8.1324 121.1112 57.9676 32.3627 177.3431 63 L 3.9275 7.4529 117.8934 51.3600 43.3421 174.5508 64 P 4.1797 0.0000 0.0000 63.2223 31.5930 176.3458 65 G 4.2905 8.1837 111.5558 44.0414 0.0000 172.0582 66 K 4.3706 7.8492 117.6067 54.9249 34.8253 174.7374 67 S 4.2223 8.5216 119.2199 59.7024 63.3295 174.8734 68 G 3.9022 8.8014 111.3240 45.4779 0.0000 173.4574 69 R 3.9442 7.3600 120.4245 55.8019 30.8276 175.3871 70 T 4.6321 8.1833 114.9041 59.5858 72.2646 172.6273 71 W 4.9566 8.5797 122.9675 55.1017 31.9313 175.0654 72 R 5.1378 8.9277 122.7132 54.2002 33.7852 174.2476 73 E 5.4794 9.0701 118.6764 54.8867 33.4409 174.5392 74 A 5.0167 8.8239 120.8207 50.4667 22.8755 175.6256 75 D 4.8942 9.3313 122.8303 54.5051 41.4682 176.0585 76 I 4.3764 8.1833 122.2757 59.9928 40.8512 175.5781 77 N 4.4471 8.6802 120.5356 54.2912 36.7893 173.8906 78 Y 4.3864 7.3090 119.5972 57.2886 39.7960 175.4533 79 T 3.9095 7.1510 114.2939 62.4753 70.7030 173.7767 80 S 4.3135 6.4818 112.0008 58.4942 65.5236 175.7985 81 G 3.8708 8.6566 106.8664 44.6015 0.0000 173.2904 82 F 4.4046 8.6565 118.6401 57.1369 39.7106 175.4731 83 R 4.1912 8.7621 122.5979 56.6066 30.6280 176.8603 84 N 4.9829 8.5252 118.6216 52.1454 40.0834 175.1675 85 S 4.6052 8.5318 114.0706 58.6855 64.3741 172.7917 86 D 5.3425 8.3065 121.7796 54.0172 42.0135 175.7961 87 R 4.8866 9.1776 121.7713 54.5767 35.2654 173.7036 88 I 5.0484 8.8636 123.0717 59.4788 40.4776 174.1184 89 L 5.6408 9.2341 129.0723 53.1567 44.3586 175.0687 90 Y 5.6841 9.2133 122.0350 55.3952 41.8177 175.1309 91 S 4.0145 8.5038 117.2991 56.3903 65.1247 175.2944 92 S 3.5332 7.9635 115.0117 60.0161 62.7231 174.8025 93 D 4.5034 7.0529 119.3925 52.2485 39.4053 175.6628 94 W 3.7120 6.3147 116.3641 58.4697 27.1190 174.5264 95 L 4.6721 7.8877 117.5170 54.0733 42.7026 176.2078 96 I 5.5076 8.6984 122.1339 60.0862 40.7270 174.2480 97 Y 5.2679 9.7758 124.2122 55.9920 42.4323 174.4976 98 K 5.3199 9.4555 119.4187 55.6422 36.6189 175.0027 99 T 4.9570 9.0576 115.3734 60.3855 70.8817 174.0598 100 T 5.1470 8.5921 114.1540 59.9936 69.6233 173.4434 101 D 4.6483 7.7894 121.6955 53.8980 40.1721 174.4641 102 H 3.4949 8.5036 114.4688 59.1257 28.3048 173.3979 103 Y 3.3407 7.0752 110.3281 59.1174 36.1016 172.0908 104 Q 4.2324 7.7202 120.4073 58.4404 29.1112 176.4486 105 T 4.7488 8.0391 105.7773 59.9793 71.9934 173.6181 106 F 5.2721 8.7580 120.0375 56.1758 43.4139 174.3553 107 T 4.7071 8.7376 117.2276 61.3435 71.9280 173.5087 108 K 3.2916 8.6951 128.3652 56.3122 32.3001 176.2219 109 I 4.5240 8.7632 119.0502 60.5060 39.7096 175.7817 110 R 4.1797 7.5783 126.9762 56.7020 31.0837 174.5329 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 4 I 8.01 4.22 1.81 0.00 0.00 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 1.50 1.05 0.97 0.00 0.00 5 N 8.44 4.85 0.00 2.86 2.84 0.00 0.00 5.89 6.34 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 6 T 8.50 4.67 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 1.21 0.00 0.00 7 F 8.41 4.23 0.00 3.18 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 8 D 8.35 4.53 0.00 2.76 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 9 G 7.97 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 10 V 8.32 3.65 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 0.93 0.00 0.00 1.08 0.00 0.00 11 A 8.34 4.06 1.48 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 12 D 8.42 4.27 0.00 3.01 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 13 Y 8.07 3.89 0.00 3.32 3.14 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 0.00 0.00 0.00 14 L 8.28 4.16 0.00 1.92 1.84 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.77 3.74 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 16 T 7.32 3.53 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 17 Y 7.73 4.41 0.00 2.65 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 18 H 7.77 3.73 0.00 3.16 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.18 4.58 0.00 2.01 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.66 1.59 7.81 20 L 8.38 4.13 0.00 1.67 1.53 0.80 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.55 0.00 2.13 1.11 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.56 0.00 22 D 8.37 4.36 0.00 2.61 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 23 N 7.98 4.44 0.00 2.79 2.88 0.00 0.00 6.23 7.57 0.00 0.00 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 7.37 4.93 0.00 3.05 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 25 I 8.83 4.82 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 1.19 0.83 0.89 0.00 0.00 26 A 8.73 4.72 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 K 9.11 3.93 0.00 1.97 2.18 0.00 1.94 0.00 0.00 1.99 0.00 0.00 3.11 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.75 7.81 28 S 8.13 4.42 0.00 4.10 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 29 E 8.16 3.97 0.00 2.09 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 2.34 2.41 0.00 30 A 8.09 4.17 1.24 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 0.00 0.00 31 Q 8.95 4.32 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.95 0.00 32 A 7.71 4.44 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 33 L 7.85 4.45 0.00 1.84 1.76 0.93 0.95 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 34 G 7.67 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.12 4.44 0.00 3.21 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 36 V 9.27 3.68 1.92 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 0.85 0.00 0.00 0.83 0.00 0.00 37 A 7.31 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.82 4.50 0.00 4.02 3.99 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 39 K 8.04 4.21 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.33 7.81 40 G 7.35 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.97 4.87 0.00 2.90 3.00 0.00 0.00 5.72 6.67 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 42 L 8.53 3.96 0.00 1.39 1.67 0.50 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.10 4.08 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 44 D 7.96 4.49 0.00 2.82 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 45 V 7.80 4.12 2.29 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 0.81 0.00 0.00 1.10 0.00 0.00 46 A 8.11 4.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.45 0.00 2.03 2.00 0.00 3.71 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 2.02 2.23 0.00 48 G 8.93 3.90 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 0.00 0.00 0.00 49 K 7.52 4.74 0.00 1.67 1.59 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.47 7.81 50 S 8.19 4.59 0.00 2.95 3.58 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 51 I 7.89 4.25 1.67 0.00 0.00 -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 0.61 0.19 0.82 0.00 0.00 52 G 9.35 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 0.00 0.00 0.00 0.00 53 G 9.46 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 0.00 0.00 0.00 0.00 54 D 8.00 4.81 0.00 2.70 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 55 I 8.31 4.20 1.87 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 1.23 0.72 0.89 0.00 0.00 56 F 9.02 4.81 0.00 2.90 3.11 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 57 S 7.94 3.89 0.00 3.57 3.45 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 0.00 0.00 0.00 0.00 58 N 6.41 3.92 0.00 2.87 2.70 0.00 0.00 7.24 7.65 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 59 R 6.97 3.81 0.00 1.72 1.89 0.00 2.99 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 60 E 8.10 4.20 0.00 2.23 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 2.28 1.87 0.00 61 G 8.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.13 4.05 0.00 1.70 2.01 0.00 2.16 0.00 0.00 2.03 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 63 L 7.45 3.93 0.00 0.35 0.13 -0.60 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.18 0.00 2.23 2.10 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 65 G 8.18 4.29 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 66 K 7.85 4.37 0.00 1.75 1.58 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.35 7.81 67 S 8.52 4.22 0.00 3.99 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 68 G 8.80 3.90 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 0.00 0.00 0.00 69 R 7.36 3.94 0.00 1.59 1.85 0.00 3.16 0.00 0.00 2.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.99 0.00 70 T 8.18 4.63 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 1.11 0.00 0.00 71 W 8.58 4.96 0.00 3.53 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.93 5.14 0.00 0.67 1.41 0.00 3.04 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.25 0.00 73 E 9.07 5.48 0.00 2.18 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 0.00 2.50 2.37 0.00 74 A 8.82 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.33 4.89 0.00 2.69 2.63 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 76 I 8.18 4.38 1.23 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 1.05 0.60 -0.10 0.00 0.00 77 N 8.68 4.45 0.00 2.91 2.85 0.00 0.00 6.89 8.27 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 78 Y 7.31 4.39 0.00 2.87 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 79 T 7.15 3.91 4.03 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 1.08 0.00 0.00 80 S 6.48 4.31 0.00 3.85 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 81 G 8.66 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 82 F 8.66 4.40 0.00 3.15 3.14 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 0.00 0.00 0.00 83 R 8.76 4.19 0.00 1.97 1.92 0.00 3.05 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.67 0.00 84 N 8.53 4.98 0.00 2.87 2.97 0.00 0.00 5.95 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 85 S 8.53 4.61 0.00 4.01 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 86 D 8.31 5.34 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.18 4.89 0.00 1.63 1.81 0.00 3.48 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.00 88 I 8.86 5.05 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.88 0.98 0.00 0.00 89 L 9.23 5.64 0.00 1.71 1.43 1.15 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.21 5.68 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.50 4.01 0.00 2.83 2.63 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 92 S 7.96 3.53 0.00 3.67 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 93 D 7.05 4.50 0.00 2.66 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 0.00 0.00 0.00 0.00 94 W 6.31 3.71 0.00 3.57 3.41 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 95 L 7.89 4.67 0.00 2.12 2.00 1.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.70 5.51 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.14 1.18 0.00 0.00 97 Y 9.78 5.27 0.00 2.90 2.92 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 98 K 9.46 5.32 0.00 1.27 1.73 0.00 0.90 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.01 1.34 7.81 99 T 9.06 4.96 3.67 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 1.03 0.00 0.00 100 T 8.59 5.15 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 101 D 7.79 4.65 0.00 2.76 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 0.00 102 H 8.50 3.49 0.00 3.28 3.40 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.08 3.34 0.00 3.27 3.31 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 0.00 104 Q 7.72 4.23 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 105 T 8.04 4.75 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 0.00 106 F 8.76 5.27 0.00 2.87 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 0.00 107 T 8.74 4.71 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 1.15 0.00 0.00 108 K 8.70 3.29 0.00 1.30 1.48 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 0.79 7.81 109 I 8.76 4.52 1.84 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 1.21 0.94 0.78 0.00 0.00 110 R 7.58 4.18 0.00 1.89 1.84 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00