NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7966 8.3501 109.7349 45.6583 0.0000 174.9341 3 A 4.3837 8.4428 130.8659 49.9183 21.0328 174.0502 4 R 4.5089 8.6192 118.3137 54.7042 32.7367 173.8930 5 A 4.4472 8.3837 124.0922 51.8205 22.0379 177.1717 6 S 3.6182 8.3266 116.7379 58.3084 61.7094 171.9095 7 V 3.7625 7.8573 118.7133 64.4045 31.7515 175.6929 8 L 4.8076 7.2411 119.7720 52.5221 43.7267 177.7712 9 S 4.5330 8.9615 120.2695 57.4473 65.2914 174.7518 10 G 3.7877 8.6584 107.7091 48.2681 0.0000 175.5280 11 G 3.7810 7.6873 107.2339 47.5232 0.0000 175.5460 12 E 4.0221 8.1652 121.2077 58.9496 29.5296 179.0113 13 L 4.0957 8.4973 120.7027 58.2279 41.6018 178.3401 14 D 4.3640 7.9175 117.7297 57.5337 41.1828 178.4653 15 K 4.0728 8.0407 118.3413 58.9476 31.9037 178.9537 16 W 4.1161 8.4767 128.4316 60.7801 30.7550 177.7528 17 E 4.7756 8.2731 117.9660 58.4340 28.8460 179.2202 18 K 4.0326 7.3845 118.1217 58.6669 32.9915 177.3274 19 I 3.9797 7.3118 119.9527 62.2495 38.4351 175.2276 20 R 4.7097 8.6566 124.3097 54.2331 32.2514 177.2900 21 L 3.7223 7.4855 121.7984 56.8253 42.0201 177.7592 22 R 4.6993 7.4884 114.8478 53.5304 34.2530 173.2515 23 P 4.6378 0.0000 0.0000 64.5657 31.5312 177.4103 24 G 4.0562 7.9700 107.0505 45.0286 0.0000 172.6042 25 G 4.1341 7.9070 107.8307 43.4627 0.0000 173.7398 26 K 4.5221 8.3103 115.2202 55.7693 32.9841 176.8987 27 K 4.3765 7.6440 121.9585 54.0089 33.2502 175.2013 28 Q 4.0923 8.3765 125.2746 55.8171 30.1098 175.2744 29 Y 4.2745 8.6051 117.6282 57.6786 39.3927 175.3203 30 K 5.1662 8.7434 121.4553 53.8272 35.8640 176.6684 31 L 4.0348 8.8793 121.6002 58.0286 41.3077 179.7641 32 K 3.9432 8.2702 117.8790 60.1331 31.7964 178.6510 33 H 4.6286 8.6000 116.4711 58.8130 28.4476 177.9122 34 I 3.8019 7.9596 121.4140 64.2230 36.9457 178.3824 35 V 3.7155 8.2328 119.2876 65.4240 31.5715 177.8126 36 W 4.1572 8.5772 128.0232 60.3920 30.3797 177.6402 37 A 4.1798 8.3392 120.7377 54.7412 18.0156 179.7133 38 S 4.0542 7.7887 113.6093 61.7547 62.6398 176.9142 39 R 4.0765 7.7496 119.7876 58.4358 30.2330 177.9989 40 E 4.0022 7.3368 117.6575 58.1799 29.4777 178.6344 41 L 3.9902 8.0532 119.7505 57.8082 41.2625 178.8598 42 E 4.4621 7.6963 118.9696 58.7415 29.1808 179.0447 43 R 4.1127 7.6236 115.8847 58.1896 30.0088 176.8556 44 F 4.4065 8.7160 117.3874 57.3065 39.2480 176.3489 45 A 4.0321 7.7554 119.6268 52.7919 16.7934 178.2273 46 V 4.3305 7.1667 118.5840 61.9946 33.0601 175.1347 47 N 4.6905 8.6017 125.3420 52.6861 39.3010 174.3463 48 P 4.5584 0.0000 0.0000 64.6535 31.2797 178.5900 49 G 3.7081 7.9709 105.6334 47.2032 0.0000 175.3288 50 L 4.2139 7.7528 121.3606 57.3095 41.4383 179.1104 51 L 4.1778 7.7373 118.2343 56.6935 41.4429 177.3793 52 E 4.5504 7.4698 114.6624 56.0304 30.1223 176.1784 53 T 4.5241 7.8892 110.6279 59.8346 70.2919 174.3738 54 S 4.2795 8.7847 121.1158 61.0287 62.9138 176.2328 55 E 4.1686 8.1692 122.7864 58.8974 29.6855 178.1915 56 G 3.6917 8.2088 105.8970 48.3308 0.0000 175.0885 57 C 4.1014 8.2235 119.6005 62.6586 27.9070 176.4788 58 R 3.2857 7.1687 118.5643 59.0445 29.9286 178.1120 59 Q 4.0572 7.8997 119.3063 59.2659 28.7818 177.9716 60 I 3.7172 8.1259 121.2743 64.6115 37.0397 178.3850 61 L 4.3218 7.7961 119.7715 57.4150 41.1489 179.6897 62 G 3.6018 7.9440 105.3489 47.5546 0.0000 175.3064 63 Q 4.2635 8.0048 118.6154 57.8963 29.2924 177.4980 64 L 4.2688 7.6628 119.3953 56.8437 41.3388 178.5758 65 Q 3.6648 8.3987 118.9975 58.7551 28.5348 177.3462 66 P 4.3203 0.0000 0.0000 65.2806 31.8360 177.9171 67 S 4.3367 7.4168 115.6730 60.8355 62.6600 175.9971 68 L 3.8771 7.7785 121.5827 57.5902 41.2935 178.3001 69 Q 4.1278 8.0226 118.9048 58.9280 29.0695 178.4180 70 T 4.6591 7.5391 105.7805 61.1106 69.0774 173.8282 71 G 4.1333 7.9313 109.6062 45.0703 0.0000 174.7619 72 S 4.6640 8.1870 117.3748 56.7930 66.7829 174.3027 73 E 4.0229 8.8267 118.7296 60.1690 28.2780 178.8805 74 E 4.2225 8.0652 119.2525 59.1561 29.5507 179.0748 75 L 3.9537 8.0267 120.3224 58.1314 42.3063 178.6130 76 R 3.9454 8.0965 118.1917 59.7609 29.9354 178.0452 77 S 4.0800 8.2322 114.6427 61.7798 62.8736 176.6459 78 L 4.2305 7.8400 120.4949 58.3703 41.3582 178.9171 79 Y 4.2967 8.2764 119.1277 60.9025 38.6507 178.3038 80 N 4.4170 8.3375 117.3479 56.5928 38.6843 177.4561 81 T 4.0872 8.1458 116.8058 67.0644 68.6628 176.8030 82 I 3.7013 8.4162 121.7475 64.6454 37.0338 178.0453 83 A 3.9207 7.6728 121.9187 54.9592 18.1400 179.5612 84 V 3.4633 7.7850 115.4666 65.9369 31.5690 178.3741 85 L 4.0346 8.4283 120.2005 58.2280 42.0079 177.9809 86 Y 4.1745 8.1845 119.6916 61.2226 38.6233 177.8286 87 C 3.7075 8.1244 117.2983 62.9324 27.8657 176.3849 88 V 3.6748 7.4160 119.5497 66.5120 30.8988 177.7605 89 H 4.5049 7.7050 113.9284 57.6568 28.5370 176.1528 90 Q 4.3062 7.2973 120.5689 55.3191 29.7203 174.9965 91 R 3.8374 7.3770 113.0738 56.8787 28.2752 176.1284 92 I 4.3740 7.9052 117.7403 59.3163 39.3126 175.5117 93 D 4.7099 8.5511 123.8444 51.8652 39.8003 175.7854 94 V 4.3159 8.0588 117.8001 59.6724 34.1945 175.7788 95 K 4.4153 8.3750 118.0483 57.5348 33.8568 175.2497 96 D 5.3695 7.4194 116.8995 51.1730 42.5235 175.6676 97 T 4.0308 8.3701 114.4825 66.2330 68.0566 177.2731 98 K 3.9447 7.9145 121.4418 59.5404 32.3301 178.1224 99 E 3.8816 8.9235 119.8136 59.5120 29.0045 178.7481 100 A 4.0670 7.7538 119.4841 54.5454 18.3424 179.5348 101 L 3.7377 7.7061 118.9699 58.3652 42.2575 178.4128 102 D 4.3398 8.3648 118.3728 57.3780 41.1282 177.9923 103 K 3.8805 7.8992 119.7513 59.6822 32.0731 178.8169 104 I 3.9646 7.3231 119.5833 64.4229 37.3128 178.1886 105 E 4.0852 8.3975 119.2958 59.3898 28.9651 179.3129 106 E 4.1650 8.2000 118.1808 59.2074 29.6372 178.6788 107 E 4.2559 7.7506 116.5426 58.1420 29.7124 177.6199 108 Q 4.6799 7.9215 117.3016 55.4852 29.4982 177.2142 109 N 4.3904 8.1732 120.7426 56.0545 38.6276 176.1854 110 K 3.9826 7.9520 119.9993 58.9566 32.6509 178.2401 111 S 4.2878 7.8245 113.1922 60.7362 62.5785 175.5476 112 K 3.8584 8.2414 122.5937 59.7481 31.7016 178.7563 113 K 3.9950 7.6196 117.1665 58.4495 32.0346 177.8364 114 K 4.6818 7.7838 118.7272 55.5341 33.4788 176.6662 115 A 4.7034 7.8694 117.6970 51.2802 20.5611 178.0567 116 Q 4.6083 7.8085 114.1145 55.9327 28.7099 175.7371 117 Q 3.9090 8.4307 120.9303 60.2667 29.5490 177.1992 118 A 4.0927 8.0274 118.8866 54.4121 18.6290 177.2025 119 A 4.6823 7.5195 117.5891 52.6152 19.6533 176.8001 120 A 4.8625 7.8259 119.2180 53.3876 19.5162 176.7675 121 D 4.8407 8.0081 115.1305 54.8905 42.4509 174.1520 122 T 4.6911 7.7804 109.6130 59.3142 70.7542 173.2893 123 G 3.8239 8.3875 113.5471 45.5388 0.0000 173.5885 124 N 4.8260 8.1542 118.4805 50.8636 39.3433 173.4066 125 N 4.5306 8.4028 120.5985 52.1998 38.3961 175.2211 126 S 4.7106 8.3376 114.7470 56.9027 64.9841 173.3161 127 Q 4.4515 8.4367 121.9063 54.6792 29.9003 175.8097 128 V 4.2338 8.0912 115.6026 59.8085 33.8137 174.9711 129 S 4.5502 8.2923 115.9328 56.9839 63.4234 173.0624 130 Q 4.2220 8.4874 126.4625 57.7061 29.6373 176.3343 131 N 4.8866 7.5474 113.0202 52.3114 40.7419 175.0214 132 Y 4.2077 8.2772 115.7058 58.6903 38.9591 175.5982 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 2 G 8.35 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 3 A 8.44 4.38 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 4 R 8.62 4.51 0.00 1.75 1.82 0.00 3.20 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 5 A 8.38 4.45 1.17 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 6 S 8.33 3.62 0.00 3.98 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 7 V 7.86 3.76 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 0.58 0.00 0.00 0.86 0.00 0.00 8 L 7.24 4.81 0.00 1.39 1.42 0.04 0.74 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 9 S 8.96 4.53 0.00 4.03 4.02 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 10 G 8.66 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 0.00 0.00 0.00 11 G 7.69 3.78 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 0.00 0.00 0.00 12 E 8.17 4.02 0.00 2.06 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 2.41 2.37 0.00 13 L 8.50 4.10 0.00 1.88 1.84 0.93 1.26 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 14 D 7.92 4.36 0.00 2.92 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 15 K 8.04 4.07 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.52 7.81 16 W 8.48 4.12 0.00 3.39 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 17 E 8.27 4.78 0.00 2.33 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 2.66 2.36 0.00 18 K 7.38 4.03 0.00 1.80 1.95 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.48 7.81 19 I 7.31 3.98 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.51 0.85 0.00 0.00 20 R 8.66 4.71 0.00 1.79 1.71 0.00 3.11 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 21 L 7.49 3.72 0.00 1.20 1.35 0.55 -0.88 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 22 R 7.49 4.70 0.00 1.64 1.70 0.00 3.15 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 1.48 1.54 0.00 23 P 0.00 4.64 0.00 2.15 2.28 0.00 3.29 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 1.96 1.90 0.00 24 G 7.97 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 25 G 7.91 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 26 K 8.31 4.52 0.00 1.66 1.73 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.29 7.81 27 K 7.64 4.38 0.00 1.69 1.49 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.35 7.81 28 Q 8.38 4.09 0.00 1.94 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 29 Y 8.61 4.27 0.00 2.57 1.55 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 30 K 8.74 5.17 0.00 1.72 1.61 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 L 8.88 4.03 0.00 1.79 1.76 0.94 0.88 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 32 K 8.27 3.94 0.00 1.78 1.88 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.66 7.81 33 H 8.60 4.63 0.00 3.94 3.68 0.00 5.64 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 34 I 7.96 3.80 1.86 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.92 0.67 0.00 0.00 35 V 8.23 3.72 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 1.12 0.00 0.00 1.02 0.00 0.00 36 W 8.58 4.16 0.00 3.66 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.34 4.18 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 0.00 0.00 0.00 0.00 0.00 38 S 7.79 4.05 0.00 4.12 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 39 R 7.75 4.08 0.00 1.66 1.86 0.00 3.15 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 40 E 7.34 4.00 0.00 1.42 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.24 0.00 41 L 8.05 3.99 0.00 1.91 1.91 0.92 0.82 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 42 E 7.70 4.46 0.00 2.07 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 2.31 2.23 0.00 43 R 7.62 4.11 0.00 2.18 2.06 0.00 3.21 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 44 F 8.72 4.41 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 45 A 7.76 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 46 V 7.17 4.33 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 0.96 0.00 0.00 1.07 0.00 0.00 47 N 8.60 4.69 0.00 2.87 2.72 0.00 0.00 6.85 8.04 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 48 P 0.00 4.56 0.00 2.25 2.47 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 49 G 7.97 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 50 L 7.75 4.21 0.00 1.66 1.73 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.74 4.18 0.00 1.81 1.72 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.47 4.55 0.00 2.16 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 2.24 2.31 0.00 53 T 7.89 4.52 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 54 S 8.78 4.28 0.00 4.07 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 55 E 8.17 4.17 0.00 2.13 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 2.38 2.45 0.00 56 G 8.21 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.22 4.10 0.00 3.38 3.26 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 58 R 7.17 3.29 0.00 1.99 1.98 0.00 3.35 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.00 59 Q 7.90 4.06 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 60 I 8.13 3.72 1.85 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 1.52 0.86 0.91 0.00 0.00 61 L 7.80 4.32 0.00 1.66 1.70 0.48 0.16 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 62 G 7.94 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 63 Q 8.00 4.26 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 64 L 7.66 4.27 0.00 1.96 1.75 1.06 0.88 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 65 Q 8.40 3.66 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 66 P 0.00 4.32 0.00 2.21 2.17 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 67 S 7.42 4.34 0.00 4.19 3.96 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 68 L 7.78 3.88 0.00 1.55 1.59 -0.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.02 4.13 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.50 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 70 T 7.54 4.66 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 71 G 7.93 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 72 S 8.19 4.66 0.00 4.10 4.08 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 0.00 0.00 0.00 0.00 73 E 8.83 4.02 0.00 2.25 2.30 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 2.43 2.51 0.00 74 E 8.07 4.22 0.00 2.14 2.22 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 2.49 2.59 0.00 75 L 8.03 3.95 0.00 1.84 1.76 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.10 3.95 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 77 S 8.23 4.08 0.00 4.35 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 78 L 7.84 4.23 0.00 1.94 1.80 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.28 4.30 0.00 3.05 3.12 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 80 N 8.34 4.42 0.00 3.13 2.91 0.00 0.00 6.85 6.31 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 81 T 8.15 4.09 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 1.65 0.00 0.00 82 I 8.42 3.70 1.87 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 1.49 0.83 0.86 0.00 0.00 83 A 7.67 3.92 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 84 V 7.78 3.46 1.50 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 0.31 0.00 0.00 0.79 0.00 0.00 85 L 8.43 4.03 0.00 2.08 1.68 0.18 1.07 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 86 Y 8.18 4.17 0.00 3.11 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 87 C 8.12 3.71 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.42 3.67 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 1.10 0.00 0.00 1.06 0.00 0.00 89 H 7.71 4.50 0.00 3.26 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.30 4.31 0.00 1.56 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 91 R 7.38 3.84 0.00 1.99 1.96 0.00 3.15 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 92 I 7.91 4.37 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.88 0.00 0.00 93 D 8.55 4.71 0.00 2.73 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 94 V 8.06 4.32 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 0.71 0.00 0.00 0.93 0.00 0.00 95 K 8.38 4.42 0.00 1.89 2.02 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.37 7.81 96 D 7.42 5.37 0.00 2.84 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 97 T 8.37 4.03 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 98 K 7.91 3.94 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 99 E 8.92 3.88 0.00 2.18 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 2.30 2.38 0.00 100 A 7.75 4.07 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 0.00 101 L 7.71 3.74 0.00 2.03 1.78 1.10 0.82 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 0.00 102 D 8.36 4.34 0.00 2.86 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 0.00 103 K 7.90 3.88 0.00 2.07 1.85 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 104 I 7.32 3.96 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 0.86 0.00 0.00 105 E 8.40 4.09 0.00 2.15 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 2.49 2.57 0.00 106 E 8.20 4.17 0.00 2.13 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 2.50 0.00 107 E 7.75 4.26 0.00 2.20 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 2.39 2.51 0.00 108 Q 7.92 4.68 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 109 N 8.17 4.39 0.00 3.01 2.83 0.00 0.00 7.50 6.29 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 0.00 110 K 7.95 3.98 0.00 1.80 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 111 S 7.82 4.29 0.00 3.94 3.96 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 0.00 112 K 8.24 3.86 0.00 2.00 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.66 7.81 113 K 7.62 3.99 0.00 1.89 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.46 7.81 114 K 7.78 4.68 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.43 7.81 115 A 7.87 4.70 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 0.00 116 Q 7.81 4.61 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 117 Q 8.43 3.91 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 118 A 8.03 4.09 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 0.00 119 A 7.52 4.68 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 0.00 120 A 7.83 4.86 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 0.00 121 D 8.01 4.84 0.00 2.56 2.56 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 0.00 122 T 7.78 4.69 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 0.00 123 G 8.39 3.82 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 0.00 0.00 0.00 124 N 8.15 4.83 0.00 2.61 2.68 0.00 0.00 7.04 7.79 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 0.00 125 N 8.40 4.53 0.00 2.84 2.80 0.00 0.00 6.24 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 0.00 126 S 8.34 4.71 0.00 3.98 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 0.00 127 Q 8.44 4.45 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 128 V 8.09 4.23 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 0.76 0.00 0.00 0.91 0.00 0.00 129 S 8.29 4.55 0.00 3.68 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 0.00 130 Q 8.49 4.22 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 131 N 7.55 4.89 0.00 2.68 2.82 0.00 0.00 6.65 7.45 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 0.00 132 Y 8.28 4.21 0.00 2.86 2.81 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