NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4262 8.3044 118.1952 55.2194 32.5348 174.4686 1 V 4.1766 7.8791 118.6483 60.9073 34.0653 173.3866 2 L 4.2578 8.3287 127.6621 54.1184 43.5128 176.9162 3 S 4.6091 8.6298 117.3250 57.3731 65.8148 175.0067 4 E 4.2844 8.7113 121.1521 59.3746 29.3292 178.5689 5 G 3.6797 8.1278 105.3554 47.9319 0.0000 175.2201 6 E 3.8999 7.9566 120.6610 58.9237 29.3728 179.4693 7 W 4.3097 8.0298 118.8624 59.9032 29.0889 178.4980 8 Q 4.1241 8.5585 118.2737 59.1434 28.0670 178.9159 9 L 4.0792 7.9773 119.9068 57.8674 41.6435 179.8849 10 V 3.7573 8.0175 118.1406 66.0291 31.6121 177.8465 11 L 4.4220 8.5770 118.1270 56.9099 41.1178 178.7291 12 H 4.3371 8.4059 119.4146 59.0590 29.9286 177.3842 13 V 3.3730 7.8389 120.7537 64.0096 31.4425 178.1904 14 W 3.8419 8.4639 129.2408 60.1071 30.2691 177.7884 15 A 3.9925 8.0004 120.0719 54.6773 18.0061 179.4878 16 K 3.9315 7.2732 117.1765 59.2991 32.1326 179.4813 17 V 2.8409 7.1413 118.4644 65.8589 31.0683 177.7634 18 E 3.8556 7.4462 115.6370 58.2456 29.2742 178.5950 19 A 4.2305 7.4844 120.4576 53.6389 20.0578 177.5943 20 D 4.6425 7.8075 116.8480 51.9966 42.4083 175.5351 21 V 3.4853 7.9165 122.8729 65.4861 32.0591 176.8448 22 A 4.0803 7.9797 120.1724 54.7014 18.2765 179.7834 23 G 3.8107 8.1561 105.8849 47.6458 0.0000 175.8353 24 H 4.1226 8.2316 118.9714 58.3854 28.7481 177.8520 25 G 3.7426 8.2137 107.7807 47.9755 0.0000 175.1398 26 Q 3.8654 8.0513 122.0523 58.9438 29.0103 177.9652 27 D 4.2989 7.8642 119.5940 57.5951 40.8452 178.9346 28 I 3.6321 7.7478 119.8585 64.6476 37.0901 178.6199 29 L 3.4881 7.7831 119.4941 57.4327 41.3086 179.7134 30 I 3.6248 7.6878 119.9454 64.3209 37.0120 178.3387 31 R 3.8738 8.0235 119.6873 59.1746 29.7325 178.2931 32 L 3.8775 7.9305 120.2877 58.1680 41.6370 178.8880 33 F 4.5321 7.7526 117.8946 60.6284 38.6613 177.7552 34 K 3.9718 8.2842 116.9674 59.7797 31.9921 179.2408 35 S 4.3001 8.1518 114.1463 60.4615 63.9425 174.5496 36 H 4.6362 8.3669 119.5422 52.2099 29.3019 172.0564 37 P 4.7225 0.0000 0.0000 64.2394 31.4157 177.5775 38 E 4.2118 8.2131 116.7485 59.4385 29.5203 178.9591 39 T 3.8308 8.3753 110.9308 64.0321 68.8765 176.2186 40 L 3.8343 8.0885 123.3874 57.5738 41.7865 178.3749 41 E 4.1480 8.2142 117.6715 58.6817 29.4502 178.4492 42 K 4.4393 8.2713 117.0082 56.6058 32.5955 176.8517 43 F 4.3371 8.1510 119.5658 55.5604 38.5403 176.1815 44 D 4.4585 8.3477 125.8268 56.1037 41.0070 178.2786 45 R 4.0736 7.6303 117.7931 57.9597 30.6868 177.2682 46 F 4.8578 7.5439 114.9128 58.7636 40.4148 179.3469 47 K 4.5942 8.3118 121.9268 59.3421 32.7631 176.6710 48 H 4.2783 8.2046 112.3232 57.4444 28.6724 175.2572 49 L 4.0028 7.2075 121.0182 55.2850 41.4159 177.0029 50 K 4.2414 9.6119 124.4972 57.5989 32.9673 176.9744 51 T 4.7364 7.4467 107.8697 58.9646 73.2725 174.1385 52 E 3.9223 8.6095 120.0723 59.0260 29.4127 178.3437 53 A 3.9575 7.9025 120.6683 55.1115 18.3164 179.1897 54 E 3.9170 7.8137 115.5997 59.8418 29.8535 179.1472 55 M 4.1289 8.1680 118.6700 58.4815 31.8318 179.0646 56 K 3.9823 8.2571 117.3283 58.6269 32.2674 178.2459 57 A 4.5624 7.2754 118.6273 51.0053 19.4814 176.7953 58 S 4.2779 7.5992 114.2263 57.1935 62.8876 174.3692 59 E 3.9634 8.9078 129.1917 59.4269 29.4219 178.2552 60 D 4.4805 8.1262 118.5105 57.3294 41.0215 178.2637 61 L 3.0915 7.6886 120.7452 57.8050 42.1034 178.9980 62 K 3.9054 7.7915 119.1246 59.2163 32.0920 178.9836 63 K 3.9744 8.1578 118.8344 59.8000 32.0152 178.5335 64 H 4.3541 8.3807 118.6231 59.5018 29.6534 177.1910 65 G 3.6385 8.2407 107.3110 47.9605 0.0000 175.7888 66 V 3.6166 7.6544 120.1176 65.8505 31.5152 178.2072 67 T 3.8816 7.8878 115.5657 66.6423 68.2961 176.6148 68 V 3.5919 7.8494 119.9731 66.1956 31.5078 178.1165 69 L 4.1700 8.1774 118.7551 57.9707 41.4988 179.5156 70 T 3.9405 8.3827 115.9374 66.7433 68.3195 176.4227 71 A 3.9993 8.0065 122.5233 55.1443 18.4254 179.4671 72 L 3.7453 8.2494 119.1531 58.0611 42.1091 179.4731 73 G 3.3395 8.5186 105.9059 47.4629 0.0000 175.6031 74 A 4.0741 7.6852 121.9586 54.6647 18.6350 179.4458 75 I 3.8593 7.2880 118.7412 64.2998 37.2285 178.4914 76 L 3.9811 7.7354 119.9123 57.5960 41.2119 179.6155 77 K 3.9546 7.7344 117.2194 58.8449 32.2218 179.1535 78 K 3.8946 7.9425 118.7036 56.6360 32.2028 176.8880 79 K 2.0000 8.1247 117.5847 56.5253 29.6165 175.9099 80 G 4.0042 8.0712 106.6970 45.7613 0.0000 174.3480 81 H 4.5436 7.4437 119.0004 54.8662 27.2596 174.6199 82 H 5.1115 7.4804 112.1010 53.7787 29.9313 176.2159 83 E 3.9369 8.5408 120.6136 60.1426 28.7598 179.0088 84 A 4.0119 7.9254 119.8995 54.8966 18.0513 179.0226 85 E 4.0722 8.2309 116.4009 59.5542 29.4996 179.4786 86 L 4.2359 8.0131 119.0983 57.1656 41.6414 179.1975 87 K 3.8823 7.8350 119.2354 59.3075 32.1112 177.4759 88 P 4.3592 0.0000 0.0000 65.5105 31.3769 178.1775 89 L 4.0225 7.5075 117.0283 58.0360 41.9745 178.7682 90 A 4.2378 8.5971 121.2369 54.9853 18.2937 179.4952 91 Q 3.9107 8.2241 118.6737 59.3904 29.1144 178.5533 92 S 4.0664 8.1323 115.3896 61.7135 63.0792 176.1679 93 H 4.0611 8.5516 119.6591 58.3170 28.2717 177.5031 94 A 2.8287 8.2627 122.1889 53.8900 18.2893 178.7539 95 T 4.0357 7.4857 112.6708 64.3591 69.9369 175.7891 96 K 4.0701 7.4383 119.8625 58.8685 33.0153 177.2510 97 H 4.2565 7.9537 114.8400 57.3811 29.1397 174.9022 98 K 3.2044 7.5275 117.1849 56.4906 27.9252 174.0762 99 I 4.4163 8.1689 119.6466 58.4806 39.0658 174.6468 100 P 4.4996 0.0000 0.0000 62.1741 32.3059 177.1384 101 I 3.6088 8.4804 121.3736 64.8778 36.9285 178.2859 102 K 3.8085 7.9622 119.5513 59.8697 31.8680 178.1481 103 Y 4.2502 8.0355 116.9779 60.6748 37.7858 177.8947 104 L 4.2926 7.8502 119.4579 57.2750 41.7968 179.1187 105 E 4.0145 8.0257 119.1180 59.4285 29.4245 179.0771 106 F 4.4828 7.9536 117.8898 60.8023 38.9328 177.5118 107 I 3.9602 8.1002 117.9154 63.7463 37.8068 178.0509 108 S 4.2328 8.1621 116.5151 61.4246 62.6376 176.1870 109 E 4.0020 8.4340 121.8720 59.3571 29.4861 178.7910 110 A 4.0848 8.0542 120.7537 55.0623 18.3054 179.7988 111 I 3.7517 7.9071 118.5919 64.7152 37.2858 178.7251 112 I 3.8655 7.9804 120.6612 64.3296 36.8212 178.1073 113 H 4.1887 8.3833 119.3967 59.2809 29.6748 177.5745 114 V 3.5124 7.9134 120.0430 65.9876 31.2993 177.9681 115 L 3.7860 7.9006 118.8414 57.7508 41.0211 178.9584 116 H 4.3310 7.8067 117.3034 59.5240 29.9348 177.2404 117 S 4.1750 7.9153 115.5940 61.5503 62.7637 176.4370 118 R 4.1012 7.9044 118.9917 57.3251 31.1040 176.3073 119 H 5.0383 8.3623 116.4616 53.8593 29.6025 173.2293 120 P 4.3107 0.0000 0.0000 65.5743 31.4772 178.5847 121 G 3.8041 8.0638 106.1174 46.7981 0.0000 173.8419 122 N 5.0746 8.2331 115.5879 52.9626 39.3876 174.4056 123 F 4.9767 7.8865 119.7618 56.8162 39.8787 174.9822 124 G 3.8701 7.8877 107.6075 43.8815 0.0000 172.6910 125 A 3.9129 8.4261 120.6505 55.3963 18.2457 179.6855 126 D 4.1710 7.9401 116.4993 57.4560 41.0029 178.6886 127 A 3.9461 7.7875 120.7968 55.1210 18.3319 179.3116 128 Q 3.1896 8.0848 118.6627 58.7521 28.9628 178.6943 129 G 3.4585 8.0772 106.8422 47.6309 0.0000 175.4941 130 A 3.8574 7.9406 123.4521 55.0313 18.3777 179.4393 131 M 3.9997 8.1916 116.7109 58.7643 32.3253 177.9172 132 N 4.3351 8.3872 117.4101 56.6329 39.0771 176.7377 133 K 3.9007 8.2156 120.8585 59.4068 32.2042 178.6740 134 A 3.8691 7.9691 121.0959 54.7368 18.1680 179.5131 135 L 4.1428 8.0058 117.6471 57.5911 41.7585 179.2723 136 E 3.9712 8.6150 119.1487 59.1839 29.3952 178.8723 137 L 3.9309 8.0848 120.4072 58.2511 42.0785 178.4368 138 F 4.1688 8.3935 120.4007 61.8743 39.1702 177.4001 139 R 3.4161 8.3460 117.5211 58.9688 29.7940 179.0751 140 K 3.8718 8.2457 119.8785 59.4487 32.2125 178.7548 141 D 4.3407 8.1769 119.3206 57.0804 40.6350 178.8077 142 I 3.3558 7.5632 120.2944 64.2144 37.0780 178.0690 143 A 3.8994 8.0607 122.9373 54.5346 18.0585 179.5849 144 A 3.9589 7.9609 118.9797 55.2397 18.3995 180.0672 145 K 4.0613 8.0924 117.0161 59.3963 31.9925 179.2138 146 Y 4.3649 8.2571 117.6772 61.1052 37.8715 178.3176 147 K 3.8743 8.0861 120.3632 59.9706 32.0210 178.5959 148 E 4.0639 7.9100 116.8336 59.0218 29.4487 178.6509 149 L 4.3296 7.9104 117.4738 55.2239 41.9860 177.7167 150 G 4.1021 7.8676 106.9358 45.3697 0.0000 173.2686 151 Y 4.2891 8.0682 120.9765 59.3471 40.5750 177.1659 152 Q 3.0615 7.0582 117.0761 57.2612 26.5593 174.8298 153 G 2.3826 6.6060 113.8619 44.7128 0.0000 171.3326 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 0 M 8.30 4.43 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.88 4.18 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.26 0.00 1.02 0.72 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.63 4.61 0.00 4.05 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 4 E 8.71 4.28 0.00 2.20 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 2.43 2.51 0.00 5 G 8.13 3.68 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 0.00 0.00 0.00 6 E 7.96 3.90 0.00 1.89 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 8.03 4.31 0.00 3.54 3.19 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 8 Q 8.56 4.12 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 9 L 7.98 4.08 0.00 1.89 1.76 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.02 3.76 2.45 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 1.21 0.00 0.00 0.92 0.00 0.00 11 L 8.58 4.42 0.00 1.85 1.81 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.41 4.34 0.00 3.44 3.53 0.00 5.77 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.87 0.00 0.00 14 W 8.46 3.84 0.00 3.67 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 15 A 8.00 3.99 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 7.27 3.93 0.00 1.36 1.63 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 17 V 7.14 2.84 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 0.00 0.00 -0.05 0.00 0.00 0.38 0.00 0.00 18 E 7.45 3.86 0.00 1.97 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 2.15 2.09 0.00 19 A 7.48 4.23 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 20 D 7.81 4.64 0.00 2.69 2.51 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 21 V 7.92 3.49 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 0.84 0.00 0.00 22 A 7.98 4.08 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 23 G 8.16 3.81 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 24 H 8.23 4.12 0.00 3.14 3.25 0.00 5.84 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 8.21 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.05 3.87 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.86 4.30 0.00 2.90 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 28 I 7.75 3.63 1.91 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 1.52 0.76 0.90 0.00 0.00 29 L 7.78 3.49 0.00 1.42 1.03 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.69 3.62 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.88 0.00 0.00 31 R 8.02 3.87 0.00 1.85 2.19 0.00 3.01 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.93 3.88 0.00 1.66 1.41 1.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.75 4.53 0.00 3.04 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 8.28 3.97 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.69 7.81 35 S 8.15 4.30 0.00 3.76 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 36 H 8.37 4.64 0.00 2.99 2.87 0.00 5.62 0.00 0.00 0.00 0.00 6.80 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 4.72 0.00 2.16 2.10 0.00 3.82 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 2.09 1.98 0.00 38 E 8.21 4.21 0.00 2.29 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 2.30 2.56 0.00 39 T 8.38 3.83 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 0.69 0.00 0.00 40 L 8.09 3.83 0.00 1.36 1.73 0.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.21 4.15 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 42 K 8.27 4.44 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.99 7.81 43 F 8.15 4.34 0.00 3.22 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.46 0.00 2.59 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 45 R 7.63 4.07 0.00 1.23 1.01 0.00 2.98 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 46 F 7.54 4.86 0.00 2.84 2.87 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 47 K 8.31 4.59 0.00 1.90 1.83 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.46 7.81 48 H 8.20 4.28 0.00 3.34 3.49 0.00 5.59 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 7.21 4.00 0.00 1.55 1.59 0.80 0.85 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 50 K 9.61 4.24 0.00 1.69 1.85 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 51 T 7.45 4.74 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 1.20 0.00 0.00 52 E 8.61 3.92 0.00 2.05 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 2.35 2.36 0.00 53 A 7.90 3.96 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 54 E 7.81 3.92 0.00 2.13 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 2.35 0.00 55 M 8.17 4.13 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 56 K 8.26 3.98 0.00 1.90 1.85 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.28 4.56 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 58 S 7.60 4.28 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.91 3.96 0.00 2.13 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 2.39 2.48 0.00 60 D 8.13 4.48 0.00 3.09 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 61 L 7.69 3.09 0.00 1.00 1.53 0.78 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.91 0.00 1.80 1.75 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.16 3.97 0.00 1.92 1.90 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.63 7.81 64 H 8.38 4.35 0.00 3.62 3.60 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 8.24 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 66 V 7.65 3.62 2.25 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.89 3.88 4.50 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 1.30 0.00 0.00 68 V 7.85 3.59 2.21 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 1.16 0.00 0.00 0.93 0.00 0.00 69 L 8.18 4.17 0.00 1.80 1.89 0.93 0.83 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 70 T 8.38 3.94 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 71 A 8.01 4.00 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 72 L 8.25 3.75 0.00 1.58 1.66 0.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.34 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 0.00 74 A 7.69 4.07 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 75 I 7.29 3.86 1.83 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 1.52 0.94 0.85 0.00 0.00 76 L 7.74 3.98 0.00 1.28 1.58 -0.10 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 3.95 0.00 1.66 1.81 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.48 7.81 78 K 7.94 3.89 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.85 7.81 79 K 8.12 2.00 0.00 1.33 0.74 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.37 0.80 7.81 80 G 8.07 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 81 H 7.44 4.54 0.00 3.19 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.48 5.11 0.00 3.32 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.94 0.00 2.20 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 0.00 2.40 2.39 0.00 84 A 7.93 4.01 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 85 E 8.23 4.07 0.00 2.25 2.04 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 2.40 2.48 0.00 86 L 8.01 4.24 0.00 2.06 1.72 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.83 3.88 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 P 0.00 4.36 0.00 2.30 2.33 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 89 L 7.51 4.02 0.00 1.86 1.92 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.60 4.24 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 91 Q 8.22 3.91 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.13 4.07 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.55 4.06 0.00 3.67 3.64 0.00 5.80 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 8.26 2.83 0.99 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 95 T 7.49 4.04 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 1.11 0.00 0.00 96 K 7.44 4.07 0.00 1.52 1.56 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.34 7.81 97 H 7.95 4.26 0.00 2.99 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.20 0.00 1.77 1.80 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.06 1.12 7.81 99 I 8.17 4.42 2.13 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 1.41 0.99 1.16 0.00 0.00 100 P 0.00 4.50 0.00 1.90 1.95 0.00 3.18 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 0.68 1.50 0.00 101 I 8.48 3.61 1.81 0.00 0.00 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 1.60 0.73 0.83 0.00 0.00 102 K 7.96 3.81 0.00 1.70 1.61 0.00 1.34 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 0.63 7.81 103 Y 8.04 4.25 0.00 3.16 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 0.00 104 L 7.85 4.29 0.00 1.81 1.81 0.78 1.18 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 E 8.03 4.01 0.00 2.11 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 2.34 2.32 0.00 106 F 7.95 4.48 0.00 3.18 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 0.00 107 I 8.10 3.96 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 1.08 0.00 0.00 108 S 8.16 4.23 0.00 4.23 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 0.00 109 E 8.43 4.00 0.00 2.18 2.28 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 2.37 2.41 0.00 110 A 8.05 4.08 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 7.91 3.75 2.11 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 1.62 0.69 1.03 0.00 0.00 112 I 7.98 3.87 2.00 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 1.72 1.08 1.13 0.00 0.00 113 H 8.38 4.19 0.00 3.40 3.44 0.00 5.78 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 7.91 3.51 2.15 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 1.00 0.00 0.00 0.99 0.00 0.00 115 L 7.90 3.79 0.00 0.34 0.71 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.81 4.33 0.00 3.50 3.64 0.00 5.95 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 7.92 4.18 0.00 3.78 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 0.00 118 R 7.90 4.10 0.00 1.66 1.56 0.00 3.11 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 119 H 8.36 5.04 0.00 3.17 3.21 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 4.31 0.00 2.20 2.27 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.06 3.80 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 0.00 0.00 0.00 122 N 8.23 5.07 0.00 2.78 2.91 0.00 0.00 6.65 7.00 0.00 0.00 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 7.89 4.98 0.00 2.93 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 7.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.43 3.91 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 0.00 126 D 7.94 4.17 0.00 2.65 2.67 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 0.00 127 A 7.79 3.95 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 0.00 128 Q 8.08 3.19 0.00 1.27 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 129 G 8.08 3.46 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 0.00 130 A 7.94 3.86 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 0.00 131 M 8.19 4.00 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.39 4.34 0.00 2.89 2.93 0.00 0.00 6.87 6.62 0.00 0.00 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 8.22 3.90 0.00 1.95 1.75 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.97 3.87 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 0.00 135 L 8.01 4.14 0.00 1.91 1.82 0.99 0.62 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 0.00 136 E 8.62 3.97 0.00 2.11 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 2.35 2.55 0.00 137 L 8.08 3.93 0.00 1.88 1.99 1.03 0.95 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 0.00 138 F 8.39 4.17 0.00 3.07 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 0.00 139 R 8.35 3.42 0.00 1.95 1.84 0.00 3.16 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.98 0.00 140 K 8.25 3.87 0.00 1.76 1.95 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.18 4.34 0.00 2.76 2.67 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 0.00 142 I 7.56 3.36 1.25 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.23 -0.02 0.00 0.00 143 A 8.06 3.90 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 0.00 144 A 7.96 3.96 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 8.09 4.06 0.00 2.00 1.92 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 146 Y 8.26 4.36 0.00 3.30 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 0.00 147 K 8.09 3.87 0.00 1.99 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.91 4.06 0.00 2.12 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 2.55 0.00 149 L 7.91 4.33 0.00 1.81 1.73 1.00 0.87 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 0.00 150 G 7.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.07 4.29 0.00 2.48 2.66 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 0.00 152 Q 7.06 3.06 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 153 G 6.61 2.38 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