NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0888 8.0549 120.3904 62.4010 32.6648 175.1330 2 L 3.9648 8.2822 127.3824 52.4706 42.2556 176.0562 3 S 4.4913 9.7565 119.5541 57.8850 66.1127 175.1379 4 E 4.2815 8.8194 121.6326 59.6003 29.2853 179.8502 5 G 3.6420 8.1081 105.2897 47.7966 0.0000 175.4633 6 E 3.9161 8.2107 120.9411 59.0180 29.4024 179.4272 7 W 4.4584 8.2090 119.0723 59.8270 29.0413 178.2915 8 Q 4.0838 8.5222 119.6244 59.2726 28.3768 178.4142 9 L 4.0584 7.9246 119.6865 57.7136 41.6586 179.6579 10 V 3.7607 7.9833 118.0807 66.3042 31.6308 178.1571 11 L 4.3222 8.5636 118.6208 57.4351 41.2349 179.0118 12 H 4.2231 8.3648 118.4331 59.2516 30.3049 177.3746 13 V 3.7476 7.8217 121.1508 64.5206 31.3489 178.1155 14 W 3.8313 8.5935 128.8465 60.0493 30.2830 177.7995 15 A 4.0258 8.0451 120.0668 54.8912 18.1217 179.4681 16 K 3.9007 7.6579 116.9105 59.3564 32.0087 179.6258 17 V 2.8822 6.9656 117.9996 65.7516 31.1279 177.5218 18 E 3.9070 7.4419 115.6280 58.0250 29.3227 178.3773 19 A 4.1780 7.4162 120.0804 53.5250 20.1447 177.4695 20 D 4.6434 8.0239 116.7046 51.9337 42.6328 175.5317 21 V 3.4117 7.8744 124.3670 66.2493 32.1032 176.8201 22 A 4.0652 7.9957 119.9539 55.0035 18.2584 179.6853 23 G 3.5994 8.4713 104.3635 46.0998 0.0000 175.7307 24 H 4.1680 8.2372 118.6984 58.4762 28.6243 178.1570 25 G 3.5563 8.3102 107.7238 47.7107 0.0000 175.7814 26 Q 3.8664 8.1063 120.3210 58.9453 28.7740 178.6703 27 D 4.2871 7.9499 119.7809 57.3386 40.7585 179.0844 28 I 3.6592 7.8939 120.4516 64.3663 37.0724 178.5308 29 L 3.4452 7.8310 119.9116 57.5007 41.2202 179.6220 30 I 3.5689 7.6909 120.0297 64.2758 36.9363 178.4378 31 R 3.7735 7.9600 119.5503 59.1169 29.8898 178.1241 32 L 3.9436 7.8333 120.1892 58.4648 41.5723 179.1298 33 F 4.5697 8.0748 117.8381 60.5275 38.5530 177.9791 34 K 4.0313 8.1816 117.6235 59.6340 32.0035 179.4128 35 S 4.2901 8.1440 114.4221 60.3016 64.1284 174.5696 36 H 4.6868 8.0889 118.3147 52.2155 29.4052 171.9700 37 P 4.4845 0.0000 0.0000 64.3283 31.3392 177.4934 38 E 4.0798 8.2474 116.5262 59.3994 29.3641 179.1861 39 T 4.0569 8.1473 111.4318 64.6845 68.8583 176.3547 40 L 3.5345 7.8733 123.3101 57.6673 41.8073 178.5093 41 E 4.0417 7.7511 116.8381 58.6229 29.6381 178.3356 42 K 4.4402 8.0027 116.9825 57.1262 32.6620 177.4102 43 F 4.5953 8.2622 119.3106 55.4786 39.2035 175.6257 44 D 4.3491 8.5394 124.3826 57.2816 40.8937 178.6719 45 R 3.8341 7.8468 117.3279 58.1999 30.1648 176.4385 46 F 5.0903 8.2083 114.1106 56.9066 40.7588 176.2357 47 K 4.2077 8.1254 119.0471 58.1530 32.6667 177.5078 48 H 4.3797 8.0729 114.9290 57.4284 28.9566 175.3669 49 L 4.2769 7.7481 121.8929 54.5493 41.5721 176.6953 50 K 4.5184 9.4648 123.0982 56.1463 34.4035 176.7686 51 T 4.7419 7.5160 108.4483 58.8531 73.0853 174.1673 52 E 3.9039 8.6823 122.0120 59.4908 29.8046 178.9648 53 A 3.9813 7.9540 120.3035 55.2036 18.2573 179.3045 54 E 3.9434 8.1500 116.2334 59.7125 29.9420 179.1104 55 M 4.1727 8.1275 118.6986 58.5145 31.8595 179.0851 56 K 3.9995 8.2243 117.2168 58.8649 32.2731 178.4571 57 A 4.4689 7.5848 118.6041 51.6981 19.2170 176.9974 58 S 4.4022 7.4923 113.4301 56.9865 62.6000 174.3893 59 E 4.0019 8.8292 129.5542 59.2592 29.4666 177.9338 60 D 4.4246 8.1922 117.8783 57.2044 41.2902 177.8328 61 L 3.4535 8.0933 120.9424 57.8122 42.0894 178.8226 62 K 3.8595 7.9433 119.3562 59.4446 32.1089 178.8564 63 K 3.9971 8.4136 119.0614 59.8878 31.9268 178.8687 64 H 4.4536 8.6628 118.5998 59.0069 29.7907 177.4873 65 G 3.5679 8.3813 108.0800 47.6786 0.0000 175.8275 66 V 3.6305 7.7874 120.4121 66.0145 31.5572 178.1409 67 T 3.8809 7.8928 115.4998 66.6758 68.3025 176.6549 68 V 3.6022 7.9364 120.0598 66.2480 31.5654 178.1603 69 L 4.2629 8.1493 118.5285 57.7768 41.4411 179.6247 70 T 3.9540 8.3685 116.1319 66.5642 68.4398 176.4575 71 A 4.0025 8.0246 122.6486 55.0997 18.4028 179.4561 72 L 3.7934 8.2099 119.0924 58.0562 42.1227 179.3256 73 G 3.2445 8.4076 105.7749 47.6992 0.0000 175.4593 74 A 4.0043 7.7104 122.1393 54.7552 18.6490 179.5995 75 I 3.7901 7.6143 118.1672 64.6584 37.2478 178.6858 76 L 3.9884 7.9526 120.1301 57.6534 41.1792 179.4572 77 K 4.0280 7.7864 116.5957 58.0709 32.2558 178.5919 78 K 3.9789 7.8259 118.4701 55.8306 32.6760 176.4868 79 K 2.0000 8.2636 118.2143 56.3892 29.7621 175.1709 80 G 3.9939 7.8902 106.3021 45.9130 0.0000 173.9954 81 H 4.7636 7.8076 118.1467 54.6094 27.4669 174.9245 82 H 5.2345 7.2942 110.5027 54.4025 29.2876 176.6612 83 E 3.9654 8.5807 121.8852 60.4210 29.0034 178.8952 84 A 4.0591 7.9070 118.8693 55.0916 17.2622 179.0866 85 E 4.1086 8.0833 116.7761 59.5126 29.7486 179.2560 86 L 4.3168 8.2443 119.1755 57.0478 41.6375 179.0968 87 K 3.8301 8.0483 120.2768 59.2518 32.0483 177.0301 88 P 4.4362 0.0000 0.0000 65.5967 31.2103 178.1221 89 L 3.9972 7.5234 119.5290 58.0142 42.0110 178.7951 90 A 4.1821 8.5355 121.1178 55.2709 18.3293 179.6301 91 Q 3.9119 8.3314 116.8500 59.1417 28.8373 179.2495 92 S 4.0300 8.3036 115.4067 61.8474 63.0761 176.2681 93 H 4.3402 8.7203 119.8682 58.0778 28.1866 177.8062 94 A 3.0279 7.9766 122.4418 54.7708 18.3534 179.0441 95 T 3.8985 7.4091 105.6796 62.0825 69.7231 175.4585 96 K 4.1364 7.4837 120.5874 58.2145 33.2769 176.7865 97 H 4.3477 8.1521 113.6463 55.8030 29.5145 175.2318 98 K 3.4645 7.5180 117.4805 57.2174 28.8717 175.7899 99 I 4.3070 8.0728 118.8998 58.9299 38.7382 175.1625 100 P 4.3621 0.0000 0.0000 62.0559 32.1142 177.4365 101 I 3.5176 8.4650 122.1048 64.6371 36.8924 178.4208 102 K 3.6355 7.9301 119.7316 59.8275 31.9020 178.2044 103 Y 4.1052 8.0324 116.6723 60.6441 37.7569 178.1586 104 L 4.1760 7.9093 120.4316 57.5877 41.6742 178.9784 105 E 3.9737 7.9265 118.9274 59.3095 29.6161 178.7584 106 F 4.4927 7.8355 117.8205 60.7462 38.8765 177.5614 107 I 3.8541 8.2060 118.2825 64.0529 37.7720 178.0770 108 S 4.1623 8.3297 116.3215 61.5333 62.6012 176.2086 109 E 4.0190 8.5111 121.7756 59.2682 29.3548 178.7710 110 A 4.0135 8.1573 120.8599 55.0563 18.3543 179.5428 111 I 3.6678 8.1255 118.6606 64.7673 37.2762 178.6804 112 I 3.8250 7.9256 120.4244 64.6228 36.9723 177.9687 113 H 4.1031 8.5094 119.1527 59.3967 29.6657 177.5261 114 V 3.6006 8.0264 120.0697 65.9520 31.3498 177.9503 115 L 3.7490 8.0168 118.9804 57.8254 41.0549 179.0187 116 H 4.3931 7.9500 117.4319 59.4186 29.9304 177.2488 117 S 4.1914 7.8804 115.9502 61.5093 62.7501 176.3861 118 R 4.0903 7.8879 119.2500 57.5138 31.0543 176.3900 119 H 5.0324 8.1582 116.2956 53.9841 30.0080 173.2613 120 P 4.2876 0.0000 0.0000 65.9003 31.5234 178.8605 121 G 3.7639 8.1222 105.9394 47.1966 0.0000 173.5215 122 N 5.1028 8.2568 115.9266 52.9547 39.3236 174.6878 123 F 4.9587 8.0658 120.4693 56.3246 39.8077 174.8692 124 G 3.8710 8.0034 107.2881 43.9720 0.0000 173.0485 125 A 3.9643 8.3996 120.9386 54.8975 18.2574 179.4200 126 D 4.1957 8.0063 117.0510 56.7929 39.3326 178.7377 127 A 3.9637 7.7583 121.9903 54.5390 18.3449 179.4146 128 Q 3.1840 7.9584 117.1800 58.7326 28.7016 179.2854 129 G 3.4877 8.2242 106.8189 47.6569 0.0000 175.6154 130 A 3.8642 7.9579 123.2682 55.0574 18.3114 179.4331 131 M 3.9954 8.3450 117.0530 58.6242 32.2592 177.7686 132 N 4.2837 8.4576 117.5956 56.8407 39.0707 176.9633 133 K 4.1530 8.3804 120.7929 58.7925 32.0930 179.2130 134 A 3.8323 8.0199 121.1592 55.2211 18.2918 179.7641 135 L 4.0776 8.2696 117.7018 57.6993 41.7316 179.5221 136 E 3.9900 8.5922 119.2268 59.2426 29.3521 179.0648 137 L 4.0749 8.1469 120.4166 58.0296 42.1680 178.4583 138 F 4.0961 8.3253 120.6014 61.6724 39.2193 177.3165 139 R 3.6435 8.2760 117.3346 58.9704 29.9089 178.9226 140 K 3.8227 8.3911 119.7243 59.8129 32.0919 178.6275 141 D 4.3589 8.2230 119.1004 57.1832 40.6588 178.8683 142 I 3.5070 7.6142 120.2582 64.2138 36.9435 178.2747 143 A 3.7085 8.1010 121.7650 54.9800 18.1619 179.5674 144 A 3.9315 7.9083 119.2742 55.1301 18.4388 180.0766 145 K 3.9638 7.8491 117.1947 59.7840 32.0721 178.9674 146 Y 4.2466 8.5419 117.5026 61.2083 37.8216 178.8628 147 K 3.9390 8.4621 120.5683 59.4150 32.0752 178.1116 148 E 3.9235 7.8804 118.3502 59.4748 29.6608 178.3603 149 L 4.3463 7.6534 115.3032 55.0480 41.9180 177.6219 150 G 3.9248 8.0944 107.4017 45.6146 0.0000 173.1227 151 Y 4.3332 8.1083 126.2897 57.3130 38.8842 175.1986 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 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.28 3.96 0.00 0.74 0.62 0.51 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.76 4.49 0.00 4.03 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 4 E 8.82 4.28 0.00 2.07 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 0.00 2.50 2.39 0.00 5 G 8.11 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.21 3.92 0.00 1.94 1.72 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 2.21 2.26 0.00 7 W 8.21 4.46 0.00 3.51 3.16 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 0.00 8 Q 8.52 4.08 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 9 L 7.92 4.06 0.00 1.97 1.75 0.94 0.68 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 10 V 7.98 3.76 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 1.24 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.32 0.00 1.85 1.82 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.36 4.22 0.00 3.32 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.75 2.48 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 1.00 0.00 0.00 0.84 0.00 0.00 14 W 8.59 3.83 0.00 3.68 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 15 A 8.05 4.03 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 16 K 7.66 3.90 0.00 1.45 1.52 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 17 V 6.97 2.88 0.73 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 -0.05 0.00 0.00 0.26 0.00 0.00 18 E 7.44 3.91 0.00 1.86 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 2.26 2.07 0.00 19 A 7.42 4.18 1.27 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 0.00 0.00 0.00 20 D 8.02 4.64 0.00 2.70 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 21 V 7.87 3.41 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.00 4.07 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 23 G 8.47 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.24 4.17 0.00 3.29 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.31 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 26 Q 8.11 3.87 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 27 D 7.95 4.29 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 28 I 7.89 3.66 1.87 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 1.51 0.62 0.89 0.00 0.00 29 L 7.83 3.45 0.00 1.25 0.74 0.73 0.50 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 30 I 7.69 3.57 1.83 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 1.36 0.64 0.87 0.00 0.00 31 R 7.96 3.77 0.00 1.90 2.08 0.00 3.06 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.83 3.94 0.00 1.79 1.52 1.10 0.98 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 33 F 8.07 4.57 0.00 3.09 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 34 K 8.18 4.03 0.00 1.68 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.14 4.29 0.00 3.78 3.55 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 0.00 0.00 0.00 0.00 36 H 8.09 4.69 0.00 3.04 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.48 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.25 4.08 0.00 2.28 2.27 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 1.99 2.38 0.00 39 T 8.15 4.06 4.55 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 0.00 0.00 0.00 1.04 0.00 0.00 40 L 7.87 3.53 0.00 1.32 1.76 -0.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.04 0.00 2.07 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 0.00 2.39 2.45 0.00 42 K 8.00 4.44 0.00 2.00 1.75 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.26 4.60 0.00 3.26 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 44 D 8.54 4.35 0.00 2.62 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 45 R 7.85 3.83 0.00 1.47 1.07 0.00 2.99 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.33 0.00 46 F 8.21 5.09 0.00 2.86 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 47 K 8.13 4.21 0.00 1.86 2.23 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.45 7.81 48 H 8.07 4.38 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.75 4.28 0.00 1.61 1.59 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.52 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 T 7.52 4.74 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 52 E 8.68 3.90 0.00 2.04 1.97 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 2.36 2.36 0.00 53 A 7.95 3.98 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 54 E 8.15 3.94 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 55 M 8.13 4.17 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 56 K 8.22 4.00 0.00 1.91 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.58 4.47 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 58 S 7.49 4.40 0.00 3.95 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 59 E 8.83 4.00 0.00 2.14 1.96 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.96 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 61 L 8.09 3.45 0.00 1.34 1.61 -0.11 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.86 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.41 4.00 0.00 2.10 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 64 H 8.66 4.45 0.00 3.64 3.53 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.38 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 66 V 7.79 3.63 2.27 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.89 3.88 4.35 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 1.29 0.00 0.00 68 V 7.94 3.60 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 1.11 0.00 0.00 1.05 0.00 0.00 69 L 8.15 4.26 0.00 1.83 1.92 0.93 0.77 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 70 T 8.37 3.95 4.47 0.00 0.00 0.00 0.00 0.00 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 71 A 8.02 4.00 1.45 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 0.00 0.00 72 L 8.21 3.79 0.00 1.61 1.58 0.20 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.41 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 0.00 0.00 0.00 74 A 7.71 4.00 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 75 I 7.61 3.79 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.99 0.00 0.00 76 L 7.95 3.99 0.00 1.18 1.57 -0.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.79 4.03 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.83 3.98 0.00 1.86 1.82 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.77 7.81 79 K 8.26 2.00 0.00 1.22 0.74 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.70 7.81 80 G 7.89 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 0.00 0.00 0.00 81 H 7.81 4.76 0.00 3.18 3.23 0.00 5.57 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 82 H 7.29 5.23 0.00 3.26 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.97 0.00 2.10 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 2.42 2.47 0.00 84 A 7.91 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.08 4.11 0.00 2.24 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 2.47 0.00 86 L 8.24 4.32 0.00 1.66 1.64 0.71 0.75 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 87 K 8.05 3.83 0.00 1.99 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.44 0.00 2.34 2.31 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 89 L 7.52 4.00 0.00 1.92 1.89 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.54 4.18 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 91 Q 8.33 3.91 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 92 S 8.30 4.03 0.00 3.91 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 93 H 8.72 4.34 0.00 3.55 3.63 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.98 3.03 0.56 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 95 T 7.41 3.90 4.07 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 1.06 0.00 0.00 96 K 7.48 4.14 0.00 1.54 1.62 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.21 1.32 7.81 97 H 8.15 4.35 0.00 3.00 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.46 0.00 1.82 1.77 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.26 7.81 99 I 8.07 4.31 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 1.12 0.00 0.00 100 P 0.00 4.36 0.00 1.79 1.68 0.00 2.30 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 1.13 1.79 0.00 101 I 8.47 3.52 1.73 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.73 0.00 0.00 102 K 7.93 3.64 0.00 1.73 1.72 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 0.67 7.81 103 Y 8.03 4.11 0.00 3.17 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 0.00 104 L 7.91 4.18 0.00 1.85 1.82 0.67 0.93 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 0.00 105 E 7.93 3.97 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 106 F 7.84 4.49 0.00 3.23 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 0.00 107 I 8.21 3.85 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 1.09 0.00 0.00 108 S 8.33 4.16 0.00 4.19 3.97 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 0.00 109 E 8.51 4.02 0.00 2.13 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 0.00 2.39 2.57 0.00 110 A 8.16 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.13 3.67 2.09 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 1.60 0.76 1.04 0.00 0.00 112 I 7.93 3.82 2.00 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 1.68 1.05 1.15 0.00 0.00 113 H 8.51 4.10 0.00 3.31 3.47 0.00 5.59 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 0.00 114 V 8.03 3.60 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 0.97 0.00 0.00 0.99 0.00 0.00 115 L 8.02 3.75 0.00 1.24 0.41 0.90 0.97 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 0.00 116 H 7.95 4.39 0.00 3.58 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.19 0.00 3.97 3.85 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 0.00 118 R 7.89 4.09 0.00 1.56 1.49 0.00 2.77 0.00 0.00 2.67 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 119 H 8.16 5.03 0.00 3.17 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.19 2.22 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.26 5.10 0.00 2.79 2.95 0.00 0.00 6.64 6.82 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 0.00 123 F 8.07 4.96 0.00 2.98 3.02 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 0.00 124 G 8.00 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 0.00 125 A 8.40 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.01 4.20 0.00 2.83 2.90 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 0.00 127 A 7.76 3.96 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 0.00 128 Q 7.96 3.18 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 129 G 8.22 3.49 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 0.00 0.00 0.00 130 A 7.96 3.86 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 0.00 131 M 8.34 4.00 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.46 4.28 0.00 2.93 2.90 0.00 0.00 7.22 7.28 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 0.00 133 K 8.38 4.15 0.00 1.83 1.67 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 134 A 8.02 3.83 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 0.00 135 L 8.27 4.08 0.00 1.73 1.77 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.99 0.00 2.20 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 2.34 2.48 0.00 137 L 8.15 4.07 0.00 1.87 1.97 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.10 0.00 3.22 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 0.00 139 R 8.28 3.64 0.00 2.03 1.88 0.00 3.16 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 140 K 8.39 3.82 0.00 1.80 2.02 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.22 4.36 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.61 3.51 1.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.07 0.27 0.00 0.00 143 A 8.10 3.71 1.25 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 0.00 0.00 144 A 7.91 3.93 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 0.00 145 K 7.85 3.96 0.00 1.97 1.94 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.63 7.81 146 Y 8.54 4.25 0.00 3.11 3.02 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 0.00 147 K 8.46 3.94 0.00 1.91 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.88 3.92 0.00 2.05 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 0.00 2.34 2.38 0.00 149 L 7.65 4.35 0.00 1.81 1.65 0.89 1.01 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 0.00 150 G 8.09 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 0.00 0.00 0.00 151 Y 8.11 4.33 0.00 2.60 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