NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2449 8.3049 118.1950 55.6588 32.7017 175.9065 2 L 3.3010 8.1925 113.7188 55.0804 38.3108 172.9175 3 T 3.9208 8.3742 114.7442 63.9515 70.0086 174.7421 4 D 4.5045 7.7301 120.4952 50.6728 42.7513 173.3011 5 P 4.2875 0.0000 0.0000 66.2148 31.5550 177.4184 6 I 3.5854 8.1102 116.9626 64.7410 37.1069 177.7083 7 A 4.1382 8.7741 121.4284 55.5361 18.2215 179.4336 8 D 4.1820 7.7631 116.4832 57.6945 40.8964 178.0421 9 M 3.9796 8.2321 119.0980 58.6653 32.2583 178.0358 10 L 3.9362 8.3683 119.3701 58.0531 41.7346 179.7112 11 T 3.7542 7.6364 115.1479 66.7833 68.1787 176.9170 12 R 4.0346 8.4772 119.6089 58.5639 29.9800 178.9172 13 I 3.9861 7.1767 119.0111 63.8585 37.5760 177.7298 14 R 3.7313 7.7045 119.4743 59.4585 29.7686 178.1107 15 N 4.2138 8.4216 116.3867 56.1086 38.8679 176.6566 16 A 4.2849 7.4324 122.2976 54.4288 19.2933 179.5264 17 T 4.3882 7.7379 107.0654 64.3445 68.9012 176.2946 18 R 3.8562 7.6060 118.8848 57.6848 30.0957 177.2129 19 V 4.3115 7.4075 111.4265 60.8238 32.7845 175.2676 20 Y 3.0429 7.0152 114.5184 57.9543 35.9945 171.8484 21 K 4.0038 7.3556 119.4562 56.9821 33.1459 176.3926 22 E 4.4155 8.9026 125.0241 58.9806 30.5210 176.1186 23 S 4.9907 7.5254 110.0151 57.4247 66.9917 172.2502 24 T 4.3451 8.2968 111.2187 61.4056 70.7677 172.3555 25 D 5.6638 8.6798 127.6542 52.9165 43.1693 176.0764 26 V 4.4062 8.2200 116.4268 60.2271 34.3216 170.8069 27 P 4.2849 0.0000 0.0000 62.9065 31.9050 175.3129 28 A 4.6382 8.1129 124.7304 51.3279 20.5282 177.3362 29 S 4.6775 8.0735 114.8545 55.8628 66.9520 175.4931 30 R 3.8790 8.6488 124.3630 59.6284 30.1999 178.2452 31 F 4.5152 8.2664 119.8070 61.3492 39.4015 176.9501 32 K 3.5597 8.0920 117.8659 59.5666 31.9629 178.7739 33 E 3.4880 7.9103 119.2366 59.1985 29.0242 179.1186 34 E 3.8453 7.6454 117.7081 59.3694 29.9321 178.3874 35 I 3.6426 7.3516 119.1531 64.5999 37.0688 177.7136 36 L 3.8283 7.5335 119.2130 58.2827 41.4650 179.6321 37 R 4.1828 7.6309 117.9902 59.8007 29.8432 178.3200 38 I 3.8242 8.0615 119.5037 64.2202 37.4390 177.9088 39 L 4.2139 8.0925 119.0834 58.2812 41.3307 179.0926 40 A 4.2723 8.4893 122.0253 54.8435 18.1947 179.6585 41 R 3.8635 7.9204 115.8366 58.6251 30.2726 177.6317 42 E 4.3765 8.4008 116.6586 56.0768 29.7812 176.7219 43 G 3.8893 8.3007 109.6231 45.2431 0.0000 175.8661 44 F 4.1735 7.4495 117.7236 59.7692 39.3606 175.0610 45 I 4.7172 7.3006 112.6017 59.1719 40.4037 175.7615 46 K 4.2196 8.4328 119.5547 56.6078 32.4317 176.3645 47 G 4.1674 7.5268 105.0965 43.4510 0.0000 171.6350 48 Y 6.1498 7.6368 117.5108 54.3898 41.6680 174.2464 49 E 4.8797 8.5322 112.7418 55.6138 32.0413 175.9272 50 R 4.5462 9.0147 122.1693 57.0131 30.7797 176.1359 51 V 4.7492 8.8889 117.6614 60.0185 36.4603 173.5325 52 D 4.8604 8.4850 118.6808 53.5104 45.0967 175.2463 53 V 4.3828 8.4209 123.9677 62.1782 33.6952 174.7830 54 D 4.2886 9.6756 127.8285 55.5300 38.0052 175.8179 55 G 4.4034 8.5582 107.3585 45.7018 0.0000 174.5195 56 K 4.2220 7.7119 120.6674 54.2411 32.6370 174.2137 57 P 4.4915 0.0000 0.0000 64.1565 31.3752 175.0056 58 Y 5.1241 8.6356 118.6479 56.9344 43.4246 173.4435 59 L 5.2100 9.2536 120.9918 53.1073 45.1467 175.7430 60 R 4.6512 8.9416 123.7941 54.7214 32.1286 174.7656 61 V 4.6702 8.8761 128.1615 62.2498 33.4252 174.1664 62 Y 4.6460 9.4074 126.6394 56.7874 39.1498 175.7245 63 L 4.6164 8.3720 124.9601 54.2066 43.0995 176.3144 64 K 4.5084 7.6898 120.2312 55.1839 35.4556 174.4707 65 Y 4.9630 8.3944 122.5862 56.4755 43.1817 174.3204 66 G 4.5101 8.8314 108.8324 44.2775 0.0000 172.0014 67 P 4.5593 0.0000 0.0000 62.5537 31.8089 176.1546 68 R 4.0978 8.5532 121.8038 57.1736 30.6948 175.2345 69 R 4.7970 8.3577 118.8029 54.4509 34.6956 175.0261 70 Q 4.2530 8.5966 120.0342 56.3518 30.2265 175.6489 71 G 3.7732 8.6976 107.0724 43.8484 0.0000 171.3048 72 P 4.3739 0.0000 0.0000 62.4896 31.9971 176.0217 73 D 4.2859 8.4551 117.0315 54.8654 38.5890 171.3289 74 P 4.4202 0.0000 0.0000 63.5182 32.3623 177.2450 75 R 3.3053 7.6464 117.1748 53.8024 29.8000 173.9960 76 P 4.3466 0.0000 0.0000 63.0906 32.0062 175.1413 77 E 4.5131 8.6414 120.0783 55.7387 31.1404 175.4825 78 Q 4.7666 8.6089 123.1587 55.8295 29.4955 176.1798 79 V 3.9234 8.4808 120.6095 64.5227 32.1954 176.3107 80 I 4.3497 7.2961 120.9756 59.8700 36.0821 174.6322 81 H 4.3327 8.5537 122.2406 58.3243 29.4093 175.7654 82 H 4.4788 8.1596 119.0908 54.4420 33.3094 172.5103 83 I 4.6658 7.5953 125.0948 59.5559 40.5350 173.8468 84 R 4.5251 8.2742 129.3192 54.5901 33.8993 174.0909 85 R 4.2581 8.5494 126.8153 56.5666 30.4273 175.7088 86 I 3.9639 7.8939 127.5641 63.3586 37.8377 175.7194 87 S 4.4466 7.5384 114.4134 57.2937 62.8367 173.6737 88 K 4.7617 8.1768 125.9346 53.4925 35.6863 175.5706 89 P 4.3328 0.0000 0.0000 65.6395 31.3102 178.3144 90 G 3.5706 8.1199 107.6260 47.8081 0.0000 173.8593 91 R 4.3873 7.7065 124.4300 53.6780 31.8081 174.8978 92 R 4.1226 8.4391 124.3185 55.9519 31.1592 176.2498 93 V 4.3791 7.9881 118.9917 61.3553 34.7557 173.8650 94 Y 5.2365 8.5836 124.0569 56.3240 41.6411 175.2194 95 V 4.5242 8.9725 116.4142 59.4518 35.9450 175.8561 96 G 4.0646 9.0774 113.8833 44.6983 0.0000 174.8550 97 V 3.7014 8.5731 120.6481 64.7892 31.2736 178.8672 98 K 4.3194 7.9700 118.3572 58.8431 32.2010 178.0975 99 E 4.1501 8.8862 118.2463 58.9162 29.7097 177.2668 100 I 3.4580 6.9535 118.1853 59.8583 37.3120 173.7518 101 P 4.5852 0.0000 0.0000 62.7391 32.1487 176.8781 102 R 4.5627 7.8892 117.3450 53.4147 30.2757 174.8851 103 V 3.3997 7.9316 119.2836 64.7306 32.7398 175.1157 104 R 3.1862 8.6734 123.4748 60.5672 27.9497 177.0134 105 R 3.4634 7.5484 121.6656 57.5862 28.7938 174.9225 106 G 4.3104 7.8623 112.9476 46.4587 0.0000 175.3745 107 L 4.0924 8.5206 119.4927 57.1321 41.7732 178.1208 108 G 4.1259 7.7326 105.6990 44.7096 0.0000 172.9380 109 I 4.4135 8.4019 122.1416 60.5606 40.1859 175.0374 110 A 5.0311 8.8809 126.8134 50.2773 20.6677 175.3851 111 I 4.2065 8.1997 121.7395 62.4004 39.0785 174.8515 112 L 4.7273 8.6457 123.1657 54.9546 44.2105 173.7709 113 S 4.9980 9.1884 118.6965 57.9194 63.9570 172.9021 114 T 5.1555 8.7736 116.2448 59.4941 72.4353 174.7654 115 S 4.3691 8.9595 114.9749 59.8598 63.4890 174.3810 116 K 4.5027 7.4846 120.0775 55.5566 32.2401 176.1792 117 G 3.8965 7.6044 109.6568 44.8255 0.0000 170.6994 118 V 4.5456 8.2227 118.4577 61.8538 32.7590 175.9004 119 L 5.0603 8.6126 126.3966 53.5810 46.8816 175.0422 120 T 4.5336 8.1921 109.6074 60.0536 71.5498 174.2183 121 D 4.2909 8.5871 119.0182 56.7510 38.5510 178.9898 122 R 3.9010 7.8215 121.0285 58.8154 30.8314 178.0604 123 E 4.0429 8.0408 117.7002 59.8188 29.5797 179.2843 124 A 4.1861 8.2936 119.9386 54.2926 18.0137 179.3899 125 R 3.9350 8.1651 117.8063 58.8653 29.9507 178.1528 126 K 4.0649 7.8670 118.9590 58.3009 32.3869 177.1493 127 L 4.3643 7.8400 116.2632 53.7792 42.2522 176.0223 128 G 3.9340 7.5700 105.9005 46.8128 0.0000 173.7286 129 V 4.6223 8.0215 109.8896 59.3756 36.2454 175.7680 130 G 4.2008 8.3542 108.3467 44.8990 0.0000 171.6609 131 G 4.8123 7.8246 102.4551 46.7464 0.0000 171.7833 132 E 4.5001 8.4769 121.9163 55.9330 31.2708 176.7976 133 L 4.5084 8.3592 129.4092 54.9355 43.2903 176.9591 134 I 4.0324 8.3429 127.5953 63.3771 38.4427 174.9382 135 C 5.3420 7.4765 112.7628 58.8319 33.3133 172.4335 136 E 4.8621 7.7940 113.4547 55.9558 33.2915 174.5129 137 V 4.5448 8.8870 120.9948 61.1299 35.5863 174.8823 138 W 5.0717 8.4324 123.7405 57.1236 28.2120 174.3110 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 8.30 4.24 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 L 8.19 3.30 0.00 1.82 1.74 0.95 0.73 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 3 T 8.37 3.92 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 4 D 7.73 4.50 0.00 2.75 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 5 P 0.00 4.29 0.00 2.25 2.16 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 6 I 8.11 3.59 1.93 0.00 0.00 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 1.79 0.40 0.89 0.00 0.00 7 A 8.77 4.14 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 8 D 7.76 4.18 0.00 2.76 2.89 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 9 M 8.23 3.98 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 10 L 8.37 3.94 0.00 1.75 1.60 0.86 0.62 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 11 T 7.64 3.75 4.41 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 1.17 0.00 0.00 12 R 8.48 4.03 0.00 1.87 1.94 0.00 3.09 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 13 I 7.18 3.99 1.96 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 1.66 0.83 0.83 0.00 0.00 14 R 7.70 3.73 0.00 1.79 1.93 0.00 3.04 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 15 N 8.42 4.21 0.00 2.64 2.85 0.00 0.00 7.11 6.98 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 16 A 7.43 4.28 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 17 T 7.74 4.39 4.71 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 1.23 0.00 0.00 18 R 7.61 3.86 0.00 1.73 1.91 0.00 3.02 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 19 V 7.41 4.31 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 0.93 0.00 0.00 0.96 0.00 0.00 20 Y 7.02 3.04 0.00 2.89 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.36 4.00 0.00 1.73 1.79 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.39 7.81 22 E 8.90 4.42 0.00 2.16 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 2.40 2.40 0.00 23 S 7.53 4.99 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.30 4.35 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 25 D 8.68 5.66 0.00 2.24 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 0.00 0.00 0.00 0.00 26 V 8.22 4.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 27 P 0.00 4.28 0.00 2.11 2.08 0.00 3.77 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 2.15 2.48 0.00 28 A 8.11 4.64 1.20 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 0.00 0.00 29 S 8.07 4.68 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.65 3.88 0.00 1.86 2.07 0.00 3.28 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 31 F 8.27 4.52 0.00 3.03 3.05 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 0.00 32 K 8.09 3.56 0.00 1.90 1.71 0.00 1.88 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.47 7.81 33 E 7.91 3.49 0.00 2.16 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 2.17 2.26 0.00 34 E 7.65 3.85 0.00 2.11 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 2.49 2.53 0.00 35 I 7.35 3.64 1.65 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.77 0.00 0.00 36 L 7.53 3.83 0.00 1.15 1.38 0.64 0.78 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 37 R 7.63 4.18 0.00 2.11 2.17 0.00 3.14 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 38 I 8.06 3.82 2.05 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 0.56 0.97 0.00 0.00 39 L 8.09 4.21 0.00 1.72 1.90 0.92 0.84 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 A 8.49 4.27 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 41 R 7.92 3.86 0.00 1.83 2.22 0.00 3.28 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 42 E 8.40 4.38 0.00 2.20 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 2.43 2.54 0.00 43 G 8.30 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 44 F 7.45 4.17 0.00 3.26 3.07 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 0.00 0.00 0.00 45 I 7.30 4.72 2.12 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 1.35 0.96 0.95 0.00 0.00 46 K 8.43 4.22 0.00 1.88 1.89 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.38 7.81 47 G 7.53 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 0.00 0.00 0.00 0.00 48 Y 7.64 6.15 0.00 3.00 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 0.00 49 E 8.53 4.88 0.00 2.02 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 2.40 2.32 0.00 50 R 9.01 4.55 0.00 1.78 1.99 0.00 3.21 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 51 V 8.89 4.75 2.16 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 0.90 0.00 0.00 1.12 0.00 0.00 52 D 8.49 4.86 0.00 2.79 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 53 V 8.42 4.38 2.55 0.00 0.00 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 0.96 0.00 0.00 54 D 9.68 4.29 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.56 4.40 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 0.00 56 K 7.71 4.22 0.00 1.89 1.58 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.63 7.81 57 P 0.00 4.49 0.00 1.99 2.05 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 58 Y 8.64 5.12 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.25 5.21 0.00 1.60 1.62 0.82 0.88 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 60 R 8.94 4.65 0.00 1.89 1.91 0.00 3.05 0.00 0.00 2.78 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.23 0.00 61 V 8.88 4.67 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 0.92 0.00 0.00 0.95 0.00 0.00 62 Y 9.41 4.65 0.00 3.04 2.93 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 63 L 8.37 4.62 0.00 1.67 1.08 0.83 0.83 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 64 K 7.69 4.51 0.00 1.63 1.50 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.44 7.81 65 Y 8.39 4.96 0.00 3.06 2.96 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 66 G 8.83 4.51 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 0.00 0.00 0.00 67 P 0.00 4.56 0.00 2.09 2.09 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 68 R 8.55 4.10 0.00 1.80 1.88 0.00 3.12 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 69 R 8.36 4.80 0.00 1.67 1.72 0.00 3.18 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 70 Q 8.60 4.25 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.54 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 71 G 8.70 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 72 P 0.00 4.37 0.00 2.05 1.99 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 73 D 8.46 4.29 0.00 2.74 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 74 P 0.00 4.42 0.00 2.18 2.29 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 75 R 7.65 3.31 0.00 1.81 1.41 0.00 3.46 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.72 0.00 76 P 0.00 4.35 0.00 2.14 2.07 0.00 2.57 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 77 E 8.64 4.51 0.00 2.14 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 0.00 2.43 2.43 0.00 78 Q 8.61 4.77 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 79 V 8.48 3.92 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 0.94 0.00 0.00 0.97 0.00 0.00 80 I 7.30 4.35 1.78 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 1.43 0.83 0.64 0.00 0.00 81 H 8.55 4.33 0.00 3.10 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.16 4.48 0.00 1.88 1.31 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.60 4.67 1.57 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 1.06 0.62 0.70 0.00 0.00 84 R 8.27 4.53 0.00 1.64 1.55 0.00 3.14 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 85 R 8.55 4.26 0.00 1.77 1.79 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 86 I 7.89 3.96 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.95 0.89 0.00 0.00 87 S 7.54 4.45 0.00 3.93 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 88 K 8.18 4.76 0.00 1.74 1.62 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 89 P 0.00 4.33 0.00 2.17 2.19 0.00 3.76 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 1.99 1.97 0.00 90 G 8.12 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.71 4.39 0.00 1.80 1.76 0.00 3.25 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 92 R 8.44 4.12 0.00 1.80 1.67 0.00 3.55 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 93 V 7.99 4.38 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 0.92 0.00 0.00 0.87 0.00 0.00 94 Y 8.58 5.24 0.00 2.91 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 95 V 8.97 4.52 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 0.84 0.00 0.00 0.99 0.00 0.00 96 G 9.08 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 97 V 8.57 3.70 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 0.82 0.00 0.00 0.94 0.00 0.00 98 K 7.97 4.32 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 8.89 4.15 0.00 2.16 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 2.36 2.29 0.00 100 I 6.95 3.46 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.93 0.00 0.00 101 P 0.00 4.59 0.00 2.06 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 102 R 7.89 4.56 0.00 1.70 1.81 0.00 3.28 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 103 V 7.93 3.40 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 1.09 0.00 0.00 1.06 0.00 0.00 104 R 8.67 3.19 0.00 1.58 1.75 0.00 2.64 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.00 105 R 7.55 3.46 0.00 1.78 2.15 0.00 3.28 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 106 G 7.86 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.52 4.09 0.00 1.64 1.77 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.73 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 0.00 0.00 0.00 0.00 109 I 8.40 4.41 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 1.34 0.00 0.00 110 A 8.88 5.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.20 4.21 1.85 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 1.41 1.36 0.89 0.00 0.00 112 L 8.65 4.73 0.00 1.90 1.74 0.95 0.59 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 0.00 113 S 9.19 5.00 0.00 4.13 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 0.00 114 T 8.77 5.16 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 1.28 0.00 0.00 115 S 8.96 4.37 0.00 4.01 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 0.00 116 K 7.48 4.50 0.00 1.73 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.35 7.81 117 G 7.60 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 0.00 118 V 8.22 4.55 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 1.00 0.00 0.00 119 L 8.61 5.06 0.00 1.65 1.54 0.95 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 0.00 120 T 8.19 4.53 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 1.34 0.00 0.00 121 D 8.59 4.29 0.00 2.96 2.91 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 0.00 122 R 7.82 3.90 0.00 1.82 2.09 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 123 E 8.04 4.04 0.00 2.20 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 2.36 0.00 124 A 8.29 4.19 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 0.00 125 R 8.17 3.93 0.00 2.09 2.04 0.00 3.10 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 K 7.87 4.06 0.00 1.86 2.17 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 127 L 7.84 4.36 0.00 1.68 1.70 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.57 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 0.00 129 V 8.02 4.62 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 0.75 0.00 0.00 1.02 0.00 0.00 130 G 8.35 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 0.00 0.00 0.00 0.00 131 G 7.82 4.81 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 0.00 0.00 0.00 132 E 8.48 4.50 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 133 L 8.36 4.51 0.00 1.75 1.46 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.34 4.03 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.90 0.00 0.00 135 C 7.48 5.34 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.79 4.86 0.00 2.21 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 0.00 2.23 2.30 0.00 137 V 8.89 4.54 1.70 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 -0.46 0.00 0.00 0.67 0.00 0.00 138 W 8.43 5.07 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