NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4184 8.1927 115.2904 58.5077 64.7701 175.6577 4 S 4.2656 7.7204 115.4296 60.2533 62.1749 174.8669 5 I 3.7298 8.4402 123.5601 64.4150 37.3516 177.9132 6 R 3.8823 7.9419 118.4175 59.2688 29.5084 178.7893 7 E 3.9950 8.6039 118.8458 59.4634 29.4860 179.0791 8 E 4.0218 8.1627 119.0982 58.9598 29.6750 178.9841 9 V 3.5411 7.9269 118.6556 66.5001 31.5094 177.8966 10 H 4.2969 8.4037 116.0335 58.7655 28.4113 178.1099 11 R 3.9727 8.1681 120.2440 59.2385 29.8313 178.5240 12 H 4.1102 8.3643 118.1431 59.3525 29.7140 177.3504 13 L 4.0907 7.9342 119.5708 57.6792 41.8359 179.3761 14 G 3.7650 7.9505 105.5989 47.5808 0.0000 176.2002 15 T 4.0210 8.0096 118.1616 66.5437 68.5120 177.3223 16 V 3.6585 7.9260 113.8583 63.9250 31.5672 178.3800 17 A 4.0386 7.6081 119.7815 54.9769 17.9191 179.5681 18 L 4.0363 7.8454 116.8333 57.4554 41.6946 178.4799 19 M 4.4837 7.4549 116.2930 53.6822 32.3054 175.8219 20 Q 3.9344 7.2763 121.1954 55.7409 29.4625 174.8526 21 P 4.3697 0.0000 0.0000 63.0568 32.0271 175.2411 22 A 4.4031 8.0070 121.8365 51.6422 21.6939 176.4399 23 L 4.3053 8.3139 120.2506 53.6849 41.1743 176.4920 24 H 4.4345 8.5617 124.7459 54.6884 29.1884 174.6227 25 Q 4.3750 8.1456 129.2775 54.0485 28.4684 175.0996 26 Q 4.0784 8.4771 124.8166 55.8597 29.4477 176.1630 27 T 4.5599 8.2447 111.6846 60.3649 70.5817 174.3586 28 H 4.6213 8.4031 123.4042 54.7311 29.3731 172.9450 29 A 3.6896 8.1156 127.7215 52.1875 16.0015 175.5692 30 P 4.3808 0.0000 0.0000 61.7261 32.8129 177.1382 31 A 4.2272 8.2642 122.0497 51.3944 19.2260 176.9800 32 P 4.4400 0.0000 0.0000 65.8370 31.4858 178.7326 33 T 4.1278 7.8939 106.0301 63.2179 68.8518 174.5194 34 E 4.3971 8.3857 121.3184 56.2838 30.0854 175.5574 35 I 4.3767 7.4714 121.3588 59.9205 38.0907 176.3274 36 T 4.4468 8.2187 116.5693 60.7705 71.5447 174.9897 37 H 4.2400 8.6685 120.0673 59.6147 29.8032 177.1674 38 T 3.8135 7.9283 117.1007 66.7501 68.3560 176.4053 39 L 3.9326 7.9929 120.8191 57.5088 41.6466 179.1782 40 F 4.0899 8.7312 121.1677 61.5078 39.3915 177.2398 41 R 3.9464 8.4468 118.2364 59.3556 29.6280 178.3444 42 A 4.0131 7.7017 119.7957 55.2828 18.4009 178.9448 43 Y 4.2502 8.1438 115.1753 60.6337 38.0190 177.3868 44 T 4.3156 7.4460 108.2892 60.4559 69.3631 174.9428 45 R 3.9351 6.7795 117.1312 56.5617 30.1631 176.1650 46 V 3.9930 7.9963 118.1085 60.7735 31.7789 174.4046 47 P 4.0566 0.0000 0.0000 65.9859 31.1634 177.3127 48 H 4.4426 6.9875 110.3671 56.5519 28.9097 175.7904 49 D 4.5485 7.8219 121.6201 53.1777 39.3549 175.7766 50 V 4.6995 7.0825 113.0546 59.5404 33.1898 176.3344 51 G 3.8809 7.9733 109.8070 47.3543 0.0000 173.9017 52 G 3.9965 8.9585 113.2092 45.1061 0.0000 173.5266 53 E 4.0826 8.0720 120.1739 55.7161 30.0868 176.3667 54 A 4.2603 8.3497 126.1498 52.4872 19.0720 176.0520 55 D 4.6283 8.1718 119.5984 53.3538 44.3983 174.6304 56 V 4.2167 7.8762 115.5293 59.0825 33.3109 174.1722 57 P 4.4562 0.0000 0.0000 62.1759 31.8602 176.2906 58 I 4.3794 7.3832 114.6592 58.6328 40.4041 175.1468 59 E 3.9643 8.4375 123.4182 55.4299 28.5027 175.7845 60 Y 4.3770 7.9880 124.1845 58.4248 38.5223 175.7733 61 H 5.0566 8.3358 117.7939 53.7586 31.8826 172.5557 62 E 4.4986 8.4715 119.2344 55.0154 30.9960 175.7750 63 K 4.5531 8.0400 120.6205 54.2034 35.1140 175.7105 64 E 3.9930 8.7162 126.9954 56.0064 30.2377 175.6898 65 E 4.1977 8.4549 126.6304 55.8177 30.7614 176.0009 66 E 4.3015 8.8979 125.9384 55.5877 30.8454 177.7604 67 I 3.7284 8.5459 123.3643 64.4485 37.2416 178.8617 68 W 5.0385 8.2801 118.1521 59.0055 27.9306 178.1814 69 E 2.8975 7.0354 119.6383 58.6466 28.7126 178.8159 70 L 3.8470 7.4190 119.8583 58.2578 42.1748 178.6761 71 N 4.4555 8.2917 116.4075 56.4896 38.3658 177.6612 72 T 4.0395 8.0285 117.3705 66.4972 68.5989 176.5188 73 F 4.1926 8.1172 122.3839 61.3143 39.3341 177.0100 74 A 3.9274 8.0910 120.3692 55.4132 18.0845 179.7191 75 T 3.8830 8.2068 114.2810 67.0969 68.5398 176.7010 76 C 4.6115 8.5953 118.7793 63.1414 28.2539 176.1146 77 E 4.1332 8.3662 120.1918 59.4890 28.9174 179.1838 78 C 4.6253 8.6560 117.3673 62.8975 28.1271 176.0931 79 L 3.9084 8.4831 120.7082 57.5222 41.1151 179.5057 80 A 5.2133 8.2209 121.8583 54.4527 18.2718 179.2340 81 W 4.4411 8.7347 126.0843 60.8209 30.7820 177.4891 82 R 4.2265 8.1106 115.2208 55.7995 29.5297 177.3503 83 G 3.9838 8.0414 106.4514 45.7943 0.0000 175.4114 84 V 3.6511 8.1276 121.4593 65.1247 31.8256 175.6877 85 W 5.0183 7.9012 114.5678 54.9656 30.4648 173.0591 86 T 4.7861 8.8307 110.1693 60.1093 71.4412 175.5514 87 A 3.5935 8.2265 123.0758 55.2638 18.3301 179.8628 88 E 3.7913 7.9590 116.6261 59.5279 29.5710 179.2202 89 E 3.9312 7.7276 117.5199 59.1430 29.3987 179.3822 90 R 3.0494 6.9709 118.1977 59.0602 29.9486 178.6290 91 R 3.6418 7.7056 118.0967 59.2487 30.0303 178.9120 92 R 3.7527 7.8455 118.1932 59.4628 29.7059 178.7538 93 K 4.2311 7.9343 119.4941 58.8292 31.9758 179.2951 94 Q 4.2632 8.6741 121.7452 58.2160 27.5764 176.9538 95 N 4.9723 8.5223 115.4719 53.4479 39.1677 175.3435 96 C 4.1632 7.4894 115.8010 61.3384 30.5607 175.9402 97 D 4.4117 8.2031 119.1755 57.3663 40.5591 179.5532 98 V 3.6712 7.0988 111.5173 62.5050 31.9425 177.6071 99 G 4.1166 8.2456 104.5419 45.7571 0.0000 173.9440 100 Q 4.0473 8.8418 120.6716 59.6915 28.8196 179.4784 101 T 3.9516 7.9253 115.6435 66.9017 68.6552 176.7441 102 V 3.6523 7.8193 119.5310 65.9940 31.4861 176.9599 103 Y 4.2307 8.2893 119.4957 60.2230 38.3747 177.4848 104 L 4.5406 7.6774 116.4909 54.7852 43.2337 178.2420 105 G 3.8285 8.2316 105.1284 45.5622 0.0000 173.7979 106 M 4.6178 7.1761 119.3475 52.8213 34.2736 174.0604 107 P 4.5590 0.0000 0.0000 62.3327 32.1761 176.4503 108 Y 4.1887 8.6954 120.6880 62.2067 38.4752 178.5329 109 Y 4.4349 8.2231 116.6123 60.2951 38.0426 178.5002 110 G 3.9313 8.4961 107.6259 47.9374 0.0000 176.1120 111 R 4.1012 8.2021 120.1475 58.7037 30.0842 179.0769 112 W 4.5782 8.4003 119.7836 59.1990 29.1745 178.1499 113 L 4.2051 8.6530 120.2239 58.3163 41.6469 178.8360 114 L 4.0645 8.3463 119.1512 58.4004 41.7086 179.8159 115 T 4.0568 8.3481 115.3169 66.4037 68.4128 176.7611 116 A 3.9955 8.3506 122.8176 55.1274 17.9093 179.5769 117 A 4.0569 8.1511 119.3941 55.0702 18.4006 179.8629 118 R 3.8550 8.1034 117.4061 59.6658 30.2042 178.6109 119 I 3.7613 7.9238 118.4988 63.9789 37.7949 177.7510 120 L 4.0952 7.4495 118.6004 57.7241 41.4395 179.6958 121 V 3.8815 7.3863 118.5039 65.4151 31.3923 177.9035 122 D 4.4169 8.3761 117.7659 56.6423 40.6330 177.9097 123 K 4.2044 7.6581 116.4440 54.9824 32.3674 176.2758 124 Q 3.4163 7.5862 116.6183 56.9746 26.7369 175.1355 125 F 4.5181 8.0088 117.8045 59.5334 39.3097 176.6310 126 V 4.6826 7.3374 112.5683 58.9011 35.7906 174.4198 127 T 4.2447 8.9725 113.9295 60.7907 71.3460 175.8976 128 L 3.8913 8.2546 122.9806 58.5040 42.0333 179.2638 129 T 3.8440 7.7888 115.3521 66.6781 68.4077 176.1918 130 E 3.9936 8.2582 120.5379 59.2056 29.4588 179.2444 131 L 3.9481 7.7674 120.2072 58.4315 42.2435 178.7229 132 H 4.2761 8.5447 116.5901 59.0957 28.5884 177.5947 133 N 4.3752 8.6243 118.7052 56.1111 38.2615 177.4251 134 K 3.9383 8.2779 121.1872 59.5346 32.2947 178.9558 135 I 3.6825 7.9108 120.1590 64.3026 36.9776 178.5747 136 V 3.5607 7.7540 119.0279 65.8485 31.3524 177.6265 137 E 3.9188 8.3271 119.2227 59.6349 29.6191 178.6807 138 M 4.0728 8.2324 118.7440 58.5235 31.9366 179.0115 139 R 3.9350 7.9506 118.0812 59.4022 30.2619 179.0565 140 E 3.9657 8.3798 118.3932 59.2566 29.4192 179.3843 141 R 3.9705 8.1745 119.0317 59.2582 30.2341 178.8522 142 V 3.5833 7.6837 117.5160 65.9195 31.3740 177.9662 143 A 4.0635 8.1381 120.0292 54.9121 18.3323 179.0643 144 S 4.3587 8.4443 110.9121 58.9546 63.5263 175.3571 145 G 3.9103 7.8978 111.0979 46.1535 0.0000 174.8673 146 Q 4.0873 7.9479 117.0785 55.7482 28.8967 177.0593 147 G 3.8971 8.6217 105.7099 45.0509 0.0000 173.4491 148 L 4.4448 8.9170 120.1727 53.8700 43.7017 176.3000 149 G 3.7115 8.4026 119.9112 46.8157 0.0000 172.1370 150 E 4.2433 8.2362 121.1779 56.7211 30.4133 177.1560 151 Y 4.4528 7.7240 119.1564 60.3918 38.6267 175.5285 152 L 4.6864 7.6041 121.8908 52.9573 44.7298 173.0463 153 P 4.7358 0.0000 0.0000 61.4857 32.3298 174.4652 154 P 4.9232 0.0000 0.0000 62.7498 31.2420 176.1744 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 8.19 4.42 0.00 3.87 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 4 S 7.72 4.27 0.00 4.01 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 5 I 8.44 3.73 1.86 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 1.63 0.36 0.89 0.00 0.00 6 R 7.94 3.88 0.00 1.98 2.03 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 7 E 8.60 4.00 0.00 2.15 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 2.35 2.65 0.00 8 E 8.16 4.02 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 9 V 7.93 3.54 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 0.84 0.00 0.00 0.92 0.00 0.00 10 H 8.40 4.30 0.00 3.21 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.17 3.97 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 12 H 8.36 4.11 0.00 3.29 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.93 4.09 0.00 1.84 1.74 0.94 0.75 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 14 G 7.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.01 4.02 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 1.19 0.00 0.00 16 V 7.93 3.66 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 0.57 0.00 0.00 0.94 0.00 0.00 17 A 7.61 4.04 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 18 L 7.85 4.04 0.00 1.73 1.74 0.91 0.91 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 19 M 7.45 4.48 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 20 Q 7.28 3.93 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.37 0.00 2.08 1.97 0.00 3.77 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 2.03 2.08 0.00 22 A 8.01 4.40 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.31 4.31 0.00 1.65 1.67 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.56 4.43 0.00 3.11 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.15 4.37 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 26 Q 8.48 4.08 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 27 T 8.24 4.56 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 28 H 8.40 4.62 0.00 3.13 3.24 0.00 5.85 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 29 A 8.12 3.69 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 30 P 0.00 4.38 0.00 2.20 2.08 0.00 3.69 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 1.93 1.95 0.00 31 A 8.26 4.23 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 32 P 0.00 4.44 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 33 T 7.89 4.13 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 34 E 8.39 4.40 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 35 I 7.47 4.38 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 1.14 0.00 0.00 36 T 8.22 4.45 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 1.25 0.00 0.00 37 H 8.67 4.24 0.00 3.26 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.93 3.81 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 1.19 0.00 0.00 39 L 7.99 3.93 0.00 2.00 1.95 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.73 4.09 0.00 3.28 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 41 R 8.45 3.95 0.00 1.88 2.00 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 42 A 7.70 4.01 1.14 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 0.00 0.00 43 Y 8.14 4.25 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.45 4.32 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 45 R 6.78 3.94 0.00 1.95 2.15 0.00 3.08 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 46 V 8.00 3.99 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 0.78 0.00 0.00 0.90 0.00 0.00 47 P 0.00 4.06 0.00 1.61 1.82 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 48 H 6.99 4.44 0.00 3.28 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.82 4.55 0.00 2.66 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 50 V 7.08 4.70 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 1.21 0.00 0.00 1.00 0.00 0.00 51 G 7.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.07 4.08 0.00 2.19 1.89 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 2.33 2.33 0.00 54 A 8.35 4.26 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 55 D 8.17 4.63 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.88 4.22 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.46 0.00 1.97 1.90 0.00 3.58 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 1.99 2.03 0.00 58 I 7.38 4.38 1.73 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.11 0.83 0.00 0.00 59 E 8.44 3.96 0.00 1.87 1.89 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 2.28 2.30 0.00 60 Y 7.99 4.38 0.00 3.02 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 61 H 8.34 5.06 0.00 3.22 3.25 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.47 4.50 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 63 K 8.04 4.55 0.00 1.68 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.41 7.81 64 E 8.72 3.99 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 65 E 8.45 4.20 0.00 1.87 1.74 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 2.11 2.11 0.00 66 E 8.90 4.30 0.00 1.23 1.58 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 2.18 2.23 0.00 67 I 8.55 3.73 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.98 0.94 0.00 0.00 68 W 8.28 5.04 0.00 3.52 3.17 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 69 E 7.04 2.90 0.00 1.52 1.12 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 1.47 1.47 0.00 70 L 7.42 3.85 0.00 1.92 1.76 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.29 4.46 0.00 3.11 2.98 0.00 0.00 7.06 6.36 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 72 T 8.03 4.04 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 1.59 0.00 0.00 73 F 8.12 4.19 0.00 2.81 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 74 A 8.09 3.93 1.46 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 0.00 0.00 75 T 8.21 3.88 4.54 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 0.00 0.00 0.00 1.28 0.00 0.00 76 C 8.60 4.61 0.00 3.60 3.42 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 77 E 8.37 4.13 0.00 1.81 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 1.88 1.91 0.00 78 C 8.66 4.63 0.00 3.27 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 79 L 8.48 3.91 0.00 1.97 1.30 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.22 5.21 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.73 4.44 0.00 3.21 3.51 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 82 R 8.11 4.23 0.00 1.67 1.69 0.00 2.94 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.00 83 G 8.04 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 84 V 8.13 3.65 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 0.46 0.00 0.00 0.45 0.00 0.00 85 W 7.90 5.02 0.00 3.63 3.15 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 86 T 8.83 4.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 87 A 8.23 3.59 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 88 E 7.96 3.79 0.00 1.93 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 2.34 2.31 0.00 89 E 7.73 3.93 0.00 2.24 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 2.37 2.33 0.00 90 R 6.97 3.05 0.00 0.67 1.21 0.00 2.62 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.76 0.00 91 R 7.71 3.64 0.00 1.87 1.86 0.00 3.32 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 92 R 7.85 3.75 0.00 1.77 2.01 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.93 4.23 0.00 2.05 1.92 0.00 1.92 0.00 0.00 2.03 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.53 7.81 94 Q 8.67 4.26 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 95 N 8.52 4.97 0.00 2.73 2.88 0.00 0.00 6.83 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 96 C 7.49 4.16 0.00 2.98 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 97 D 8.20 4.41 0.00 2.93 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 98 V 7.10 3.67 2.17 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 0.81 0.00 0.00 1.09 0.00 0.00 99 G 8.25 4.12 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 0.00 0.00 0.00 100 Q 8.84 4.05 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.93 3.95 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 1.25 0.00 0.00 102 V 7.82 3.65 2.33 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.29 4.23 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.68 4.54 0.00 1.66 1.67 1.02 0.76 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 0.00 105 G 8.23 3.83 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 0.00 0.00 0.00 106 M 7.18 4.62 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 107 P 0.00 4.56 0.00 2.47 2.15 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 108 Y 8.70 4.19 0.00 2.95 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 0.00 109 Y 8.22 4.43 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.50 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 0.00 111 R 8.20 4.10 0.00 2.13 2.08 0.00 3.30 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 112 W 8.40 4.58 0.00 3.81 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 0.00 113 L 8.65 4.21 0.00 2.16 2.07 1.06 0.40 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 0.00 114 L 8.35 4.06 0.00 1.83 1.79 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.35 4.06 4.58 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 1.42 0.00 0.00 116 A 8.35 4.00 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.15 4.06 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 0.00 118 R 8.10 3.85 0.00 2.14 2.22 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 119 I 7.92 3.76 1.50 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.11 0.16 0.00 0.00 120 L 7.45 4.10 0.00 1.93 1.73 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.39 3.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.95 0.00 0.00 122 D 8.38 4.42 0.00 2.72 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 0.00 123 K 7.66 4.20 0.00 1.77 1.26 0.00 2.12 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.47 7.81 124 Q 7.59 3.42 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 8.01 4.52 0.00 3.14 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 0.00 126 V 7.34 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 0.89 0.00 0.00 0.96 0.00 0.00 127 T 8.97 4.24 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 1.19 0.00 0.00 128 L 8.25 3.89 0.00 1.70 1.61 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.79 3.84 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 1.21 0.00 0.00 130 E 8.26 3.99 0.00 2.18 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 2.32 2.31 0.00 131 L 7.77 3.95 0.00 1.78 1.80 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.54 4.28 0.00 3.33 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.62 4.38 0.00 2.84 2.87 0.00 0.00 6.70 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 0.00 134 K 8.28 3.94 0.00 1.97 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.91 3.68 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 0.89 0.00 0.00 136 V 7.75 3.56 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 0.99 0.00 0.00 1.00 0.00 0.00 137 E 8.33 3.92 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 2.31 2.36 0.00 138 M 8.23 4.07 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.96 0.00 139 R 7.95 3.93 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 140 E 8.38 3.97 0.00 2.14 2.00 0.00 0.00 0.00 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 2.61 0.00 141 R 8.17 3.97 0.00 2.04 2.10 0.00 3.16 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 142 V 7.68 3.58 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 0.96 0.00 0.00 1.01 0.00 0.00 143 A 8.14 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.36 0.00 3.99 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 0.00 145 G 7.90 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 0.00 146 Q 7.95 4.09 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 147 G 8.62 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 0.00 148 L 8.92 4.44 0.00 1.69 1.64 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.40 3.71 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 0.00 0.00 0.00 150 E 8.24 4.24 0.00 1.94 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 1.64 1.85 0.00 151 Y 7.72 4.45 0.00 3.25 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 0.00 152 L 7.60 4.69 0.00 1.75 1.54 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.74 0.00 2.23 2.04 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 154 P 0.00 4.92 0.00 2.20 2.22 0.00 3.41 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00