NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5672 8.3049 120.3500 55.2518 33.6547 174.4316 2 K 4.5069 8.5893 124.3853 54.9527 34.1158 174.1823 3 A 5.2375 8.5715 124.1503 50.7573 23.0105 174.5697 4 Y 4.6613 9.1581 121.6786 56.3786 42.6472 173.9141 5 T 4.9075 7.5247 121.9535 61.6636 72.2579 173.2688 6 K 4.4481 8.2684 125.2090 55.3699 36.2168 173.8714 7 Y 5.1047 8.7117 124.3734 56.2522 40.3892 174.8082 8 L 4.5740 9.1628 123.9255 53.2466 44.2798 175.4557 9 T 4.8540 7.9246 119.3732 61.7047 71.0019 173.6055 10 F 4.8666 9.1911 123.7758 55.8309 43.3052 174.2218 11 N 5.5998 8.8236 118.5478 52.1807 38.9762 173.6732 12 T 4.0959 8.2699 112.7179 61.7126 69.7594 176.3104 13 K 4.0727 8.9613 123.9112 58.1971 32.7032 176.8247 14 K 4.7121 7.4392 116.7420 54.0330 35.1405 176.2244 15 R 4.2170 8.5700 119.5889 58.8669 31.0683 176.9876 16 R 5.1730 7.4128 116.1254 54.3772 32.7984 175.0249 17 E 4.6282 8.9922 122.0100 55.3035 33.9458 173.5961 18 L 5.0098 8.7514 126.8628 53.6309 43.7528 175.3705 19 I 4.7258 8.6349 127.6784 59.3039 40.1608 175.4032 20 R 4.0114 8.8786 126.9601 55.8576 30.6585 176.5350 21 I 4.8392 8.4005 114.9672 60.1464 39.1278 177.1808 22 T 3.8212 8.0128 119.6506 67.4817 68.1338 175.9565 23 D 4.3623 8.0391 119.9948 57.2068 40.9426 178.5392 24 E 3.9538 8.1257 118.8449 59.4671 29.4632 179.4091 25 V 3.6553 7.9480 118.2398 65.8611 31.6090 178.2401 26 K 3.9291 8.4281 118.7641 59.2458 31.8528 179.1785 27 K 3.8986 8.4067 120.0618 59.4254 32.0424 178.7766 28 A 3.9548 7.8233 120.6749 55.0655 18.0944 179.7543 29 V 3.4492 7.7878 116.1635 65.8803 31.8850 177.6684 30 E 3.9661 8.1241 119.0245 59.4310 29.3615 178.6269 31 E 3.8509 7.6897 117.2632 59.1808 29.4721 179.1001 32 S 3.8135 7.1634 112.5178 58.5652 63.3466 174.8024 33 E 3.6771 7.5413 119.4421 56.6298 27.7405 174.4436 34 V 3.7264 7.6281 120.3390 62.9428 32.3541 176.8004 35 K 4.1085 8.6350 126.8196 58.4281 32.9409 176.5459 36 E 5.0687 8.8334 118.2603 54.3076 32.9443 175.7421 37 G 3.9937 7.6060 110.4614 45.7829 0.0000 171.2115 38 L 5.1853 7.7890 118.5275 53.0468 45.7741 175.8756 39 C 4.8056 9.3699 122.1502 57.6208 34.5493 172.2762 40 L 4.8147 8.9064 129.9364 54.2284 43.5863 175.5739 41 V 4.6698 8.8338 125.4492 61.3176 34.3924 173.9920 42 S 5.1145 9.0228 122.5077 56.3587 66.1302 172.9501 43 S 4.6952 8.8286 121.1092 58.7122 62.8260 173.3885 44 M 4.5518 8.8883 125.4965 55.7397 32.2324 175.5539 45 H 5.0076 8.3109 115.6586 53.9772 32.5257 173.7974 46 L 4.4203 8.4371 119.6199 56.0078 42.3013 177.9713 47 T 5.0565 7.6708 109.0535 60.8714 70.0372 173.3406 48 S 4.5690 7.9089 113.8821 58.2106 65.6305 173.6328 49 S 4.7513 8.1419 116.1261 56.9881 67.6787 173.1730 50 V 4.5355 8.3888 123.5364 62.0817 32.1061 175.2417 51 I 4.8223 8.7066 120.7372 59.1510 41.5620 174.2694 52 I 5.0959 8.4270 123.2486 60.1366 39.3121 174.6966 53 Q 4.8888 9.0323 126.2814 54.3831 33.2103 173.1158 54 D 5.5878 8.4684 119.2570 52.4762 41.8189 175.7166 55 D 4.8284 8.9035 116.5025 55.9220 41.6441 177.3307 56 E 3.8172 8.1971 121.2724 56.0710 30.6086 176.1636 57 E 3.8805 8.9393 127.4200 59.7958 29.5657 179.2179 58 G 3.6461 8.2770 104.7235 47.8993 0.0000 175.3979 59 L 4.1295 7.9935 121.0654 57.7505 41.4487 179.2799 60 H 4.1854 8.0084 116.3393 58.7920 28.6246 177.4758 61 E 4.1872 8.3648 121.2043 59.3970 29.4380 178.4611 62 D 4.4656 8.5238 119.6528 57.3792 40.8240 178.9253 63 I 3.8062 7.8913 113.6230 63.7169 37.5343 178.3879 64 W 4.2790 7.8978 120.5937 59.6053 28.9023 178.3256 65 E 4.0808 8.5206 118.5885 59.1290 28.9212 179.2755 66 W 4.2089 8.7501 128.7824 60.4251 30.7486 177.7865 67 L 3.5675 8.4867 119.4259 57.9681 41.0621 179.3060 68 E 3.7135 8.5009 119.1462 59.0073 29.3069 178.7714 69 K 3.9024 7.9034 119.0275 59.4695 32.3968 178.4209 70 L 4.0740 7.9381 117.8128 55.7806 43.0546 177.2185 71 A 4.6302 8.2519 121.1888 49.5288 18.7406 173.6332 72 P 4.7634 0.0000 0.0000 60.9683 32.7265 176.9257 73 Y 4.4762 8.8145 122.6317 58.6002 39.2301 175.9875 74 R 4.1288 6.8555 123.1841 53.9008 34.0418 173.6365 75 P 4.1394 0.0000 0.0000 64.4309 31.9074 176.5640 76 D 4.6821 7.3407 116.6384 52.9162 39.8733 176.0374 77 Y 4.3471 7.2254 117.8283 58.1916 38.5784 177.3962 78 K 4.0733 8.8168 122.2172 59.7507 32.1430 179.0156 79 H 4.1431 8.4531 118.1785 59.3475 29.6744 175.9001 80 H 5.2167 8.6279 120.5394 57.2165 29.4160 176.8379 81 R 4.1963 8.0465 117.7287 59.6947 29.1781 177.8234 82 T 4.2265 7.6587 108.3416 61.5197 69.3195 175.7124 83 G 3.8285 8.2309 110.5714 45.5614 0.0000 173.3168 84 E 4.5015 7.7400 120.6389 55.2267 30.8515 176.4591 85 D 5.2619 8.6680 123.8516 53.1313 39.7023 175.7093 86 N 5.0660 8.1380 112.5037 53.6186 38.6330 176.7212 87 G 3.6994 8.5834 108.5344 48.8024 0.0000 175.5921 88 D 4.2553 8.2508 120.6161 56.0927 39.3876 178.4400 89 A 3.9783 8.3342 122.5610 55.1965 18.3481 179.3875 90 H 4.7052 7.8520 115.7382 58.5184 28.8148 177.8246 91 L 3.8891 7.6476 120.5183 57.7450 41.4527 179.7375 92 K 3.5975 8.0758 118.6334 59.1550 31.7959 178.9581 93 N 4.6680 7.7827 118.4269 55.9484 38.6581 176.9826 94 L 3.9480 7.6528 119.4696 57.6969 41.8414 178.6711 95 L 4.0400 7.8122 119.3267 58.6605 42.0917 178.8923 96 T 4.1387 7.8443 107.1207 61.3382 69.1503 170.7822 97 H 4.3904 8.0470 129.5995 55.2943 31.8822 175.4763 98 L 3.7848 8.2450 126.2507 58.1410 40.5432 175.8943 99 Q 5.0076 7.1970 115.5895 55.3333 32.2627 174.1402 100 V 4.6591 8.6205 110.6147 59.9764 36.5897 174.4553 101 V 4.8298 8.4168 122.4942 61.1989 33.8653 174.5850 102 L 5.0344 8.9765 127.8249 52.0574 45.1976 174.3259 103 P 4.8606 0.0000 0.0000 62.8702 33.3367 174.9534 104 I 4.8835 8.7432 122.6502 60.0121 40.0245 174.6563 105 T 4.8714 8.8146 123.9854 60.8303 71.7083 174.3412 106 N 4.3907 10.0460 125.6129 54.5008 36.6278 174.8291 107 G 4.0627 8.3972 101.2208 46.0990 0.0000 174.0981 108 K 4.5581 7.6265 117.1534 53.6145 35.9848 175.9460 109 L 4.3361 8.5108 122.3620 55.4152 41.6044 177.6207 110 D 4.5876 8.6876 125.6466 52.9255 39.4874 174.8598 111 L 4.8509 7.6842 122.4880 51.8600 44.2763 176.6925 112 G 3.8783 9.3469 111.3591 44.3476 0.0000 173.0034 113 P 3.7057 0.0000 0.0000 64.4358 31.0547 177.1107 114 W 5.1048 7.7217 115.0999 55.9877 30.9017 175.4819 115 Q 4.3102 7.6008 118.2743 56.3472 28.9979 175.8029 116 E 4.6838 9.2613 123.5105 54.6135 33.8497 173.8537 117 I 4.8047 8.8852 127.6194 60.4738 38.9555 174.8973 118 F 5.3402 9.5345 125.1192 55.8175 43.4328 173.5830 119 Y 4.7039 9.1784 123.1724 56.3009 40.1816 174.6253 120 A 4.5165 8.7816 131.4300 50.1732 20.2955 175.0875 121 E 3.7833 8.5739 124.1703 56.5981 30.4132 176.8963 122 F 5.2352 8.1912 123.8505 57.1268 40.8046 175.7785 123 D 4.7005 8.0590 117.5530 53.4231 40.6840 175.0332 124 G 4.4856 8.8859 118.0749 46.8082 0.0000 173.5072 125 Q 4.5064 10.1175 124.3800 56.6491 25.7610 172.7933 126 R 4.7821 7.3684 112.9279 54.0627 33.1358 172.2622 127 P 4.8509 0.0000 0.0000 63.0788 31.8667 176.0780 128 K 4.6954 9.5308 123.9996 54.6986 36.8212 175.7811 129 R 5.2208 8.9288 121.0548 54.4761 34.2477 174.6476 130 V 5.0555 8.9939 121.1100 61.1749 34.6223 174.5611 131 V 4.4282 8.8467 127.7049 60.2568 33.9796 174.7420 132 I 5.2291 8.4489 124.9028 58.7250 39.6014 174.4021 133 K 4.7997 8.6441 128.3055 54.6248 34.9967 174.4581 134 I 5.1867 8.9367 128.9368 59.5353 40.2204 174.8557 135 I 5.0038 9.2823 118.4059 59.1026 41.3228 175.9623 136 G 3.9537 6.9841 109.8483 45.3590 0.0000 172.9232 137 E 4.2017 8.4656 122.3368 56.3967 29.9724 176.3597 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 4.57 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 K 8.59 4.51 0.00 1.96 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 A 8.57 5.24 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.16 4.66 0.00 3.08 2.79 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 5 T 7.52 4.91 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 0.83 0.00 0.00 6 K 8.27 4.45 0.00 1.82 1.59 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.47 7.81 7 Y 8.71 5.10 0.00 2.78 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 8 L 9.16 4.57 0.00 1.41 1.06 1.01 0.49 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 9 T 7.92 4.85 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 1.13 0.00 0.00 10 F 9.19 4.87 0.00 2.75 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 11 N 8.82 5.60 0.00 2.71 2.71 0.00 0.00 7.34 7.70 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 12 T 8.27 4.10 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 1.35 0.00 0.00 13 K 8.96 4.07 0.00 1.77 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 14 K 7.44 4.71 0.00 1.83 1.64 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.32 7.81 15 R 8.57 4.22 0.00 1.73 1.98 0.00 3.06 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 16 R 7.41 5.17 0.00 1.17 1.00 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 17 E 8.99 4.63 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 18 L 8.75 5.01 0.00 1.91 1.65 0.64 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.63 4.73 1.85 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 1.28 0.84 1.07 0.00 0.00 20 R 8.88 4.01 0.00 1.68 1.81 0.00 3.19 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.70 0.00 21 I 8.40 4.84 1.99 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 1.42 0.96 1.22 0.00 0.00 22 T 8.01 3.82 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 1.18 0.00 0.00 23 D 8.04 4.36 0.00 2.68 2.71 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 24 E 8.13 3.95 0.00 2.23 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 2.43 0.00 25 V 7.95 3.66 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 1.13 0.00 0.00 0.98 0.00 0.00 26 K 8.43 3.93 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.63 7.81 27 K 8.41 3.90 0.00 1.94 1.96 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.44 7.81 28 A 7.82 3.95 1.51 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 29 V 7.79 3.45 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 0.78 0.00 0.00 0.94 0.00 0.00 30 E 8.12 3.97 0.00 2.03 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 2.29 0.00 31 E 7.69 3.85 0.00 1.60 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 32 S 7.16 3.81 0.00 3.93 3.67 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 33 E 7.54 3.68 0.00 2.14 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 2.19 2.16 0.00 34 V 7.63 3.73 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 0.99 0.00 0.00 0.99 0.00 0.00 35 K 8.64 4.11 0.00 2.10 1.81 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.49 7.81 36 E 8.83 5.07 0.00 1.88 1.79 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 2.20 2.36 0.00 37 G 7.61 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 38 L 7.79 5.19 0.00 1.59 1.54 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 39 C 9.37 4.81 0.00 2.90 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 40 L 8.91 4.81 0.00 1.81 1.66 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.83 4.67 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.96 0.00 0.00 42 S 9.02 5.11 0.00 3.90 3.63 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 43 S 8.83 4.70 0.00 4.12 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 8.89 4.55 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 45 H 8.31 5.01 0.00 3.23 3.25 0.00 5.65 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 46 L 8.44 4.42 0.00 1.73 1.78 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.67 5.06 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 1.01 0.00 0.00 48 S 7.91 4.57 0.00 3.36 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 49 S 8.14 4.75 0.00 3.83 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 50 V 8.39 4.54 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 0.84 0.00 0.00 1.07 0.00 0.00 51 I 8.71 4.82 1.90 0.00 0.00 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 1.22 1.13 0.96 0.00 0.00 52 I 8.43 5.10 1.93 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 0.74 0.99 0.00 0.00 53 Q 9.03 4.89 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 54 D 8.47 5.59 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.90 4.83 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.20 3.82 0.00 1.86 1.71 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 2.19 2.32 0.00 57 E 8.94 3.88 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 58 G 8.28 3.65 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 0.00 0.00 0.00 59 L 7.99 4.13 0.00 1.82 1.66 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.01 4.19 0.00 3.43 3.42 0.00 5.64 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 61 E 8.36 4.19 0.00 2.13 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 2.37 2.44 0.00 62 D 8.52 4.47 0.00 2.81 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 63 I 7.89 3.81 1.68 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.79 0.00 0.00 64 W 7.90 4.28 0.00 3.61 3.33 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 65 E 8.52 4.08 0.00 2.28 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 2.43 2.64 0.00 66 W 8.75 4.21 0.00 3.36 3.40 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 67 L 8.49 3.57 0.00 1.93 1.56 0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.50 3.71 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 69 K 7.90 3.90 0.00 1.79 1.97 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.40 7.81 70 L 7.94 4.07 0.00 0.91 1.25 -0.32 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.25 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.76 0.00 2.21 2.19 0.00 3.44 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 73 Y 8.81 4.48 0.00 2.99 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 74 R 6.86 4.13 0.00 0.67 0.92 0.00 2.99 0.00 0.00 2.63 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.37 0.00 75 P 0.00 4.14 0.00 2.07 2.18 0.00 3.43 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 76 D 7.34 4.68 0.00 2.67 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 77 Y 7.23 4.35 0.00 3.03 2.83 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 78 K 8.82 4.07 0.00 1.81 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.47 7.81 79 H 8.45 4.14 0.00 3.17 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.63 5.22 0.00 3.23 3.46 0.00 5.69 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 81 R 8.05 4.20 0.00 1.97 2.16 0.00 3.23 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 82 T 7.66 4.23 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 1.17 0.00 0.00 83 G 8.23 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.74 4.50 0.00 1.91 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 2.28 2.20 0.00 85 D 8.67 5.26 0.00 2.89 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 86 N 8.14 5.07 0.00 2.98 3.16 0.00 0.00 5.95 6.93 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 87 G 8.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.25 4.26 0.00 3.21 3.31 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 89 A 8.33 3.98 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 90 H 7.85 4.71 0.00 3.24 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.65 3.89 0.00 1.69 1.55 0.57 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.08 3.60 0.00 1.18 0.74 0.00 1.42 0.00 0.00 0.99 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.03 1.31 7.81 93 N 7.78 4.67 0.00 2.97 3.10 0.00 0.00 7.04 5.99 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 94 L 7.65 3.95 0.00 1.85 1.67 0.89 0.79 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 95 L 7.81 4.04 0.00 1.63 1.56 0.21 0.84 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 96 T 7.84 4.14 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 1.27 0.00 0.00 97 H 8.05 4.39 0.00 3.48 3.42 0.00 5.78 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 98 L 8.24 3.78 0.00 1.89 1.91 0.98 0.19 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 99 Q 7.20 5.01 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 100 V 8.62 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.98 0.00 0.00 101 V 8.42 4.83 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 0.83 0.00 0.00 0.96 0.00 0.00 102 L 8.98 5.03 0.00 1.56 1.51 0.94 0.86 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 0.00 103 P 0.00 4.86 0.00 2.19 2.17 0.00 3.38 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 2.20 2.11 0.00 104 I 8.74 4.88 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.96 0.00 0.00 105 T 8.81 4.87 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 0.00 106 N 10.05 4.39 0.00 2.82 2.86 0.00 0.00 7.08 8.50 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 0.00 107 G 8.40 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 0.00 108 K 7.63 4.56 0.00 1.94 1.61 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 109 L 8.51 4.34 0.00 1.61 1.63 0.91 1.08 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 0.00 110 D 8.69 4.59 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.68 4.85 0.00 1.63 1.54 0.92 0.99 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 0.00 112 G 9.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.71 0.00 1.23 1.80 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 114 W 7.72 5.10 0.00 3.30 3.13 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 0.00 115 Q 7.60 4.31 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 116 E 9.26 4.68 0.00 2.10 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 1.68 1.47 0.00 117 I 8.89 4.80 1.83 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 1.25 0.75 0.96 0.00 0.00 118 F 9.53 5.34 0.00 2.87 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 0.00 119 Y 9.18 4.70 0.00 2.56 2.36 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 0.00 120 A 8.78 4.52 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.57 3.78 0.00 1.73 1.79 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 2.32 2.53 0.00 122 F 8.19 5.24 0.00 3.23 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 0.00 123 D 8.06 4.70 0.00 2.74 2.60 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 0.00 124 G 8.89 4.49 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 0.00 125 Q 10.12 4.51 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 126 R 7.37 4.78 0.00 1.86 2.00 0.00 3.01 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 127 P 0.00 4.85 0.00 1.97 2.05 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 2.03 2.13 0.00 128 K 9.53 4.70 0.00 1.69 1.49 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 1.45 7.81 129 R 8.93 5.22 0.00 1.85 1.97 0.00 3.01 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 130 V 8.99 5.06 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 1.09 0.00 0.00 0.98 0.00 0.00 131 V 8.85 4.43 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 0.74 0.00 0.00 0.59 0.00 0.00 132 I 8.45 5.23 1.94 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 1.11 2.03 0.95 0.00 0.00 133 K 8.64 4.80 0.00 1.75 1.59 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.46 7.81 134 I 8.94 5.19 2.02 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 1.32 0.72 0.94 0.00 0.00 135 I 9.28 5.00 1.88 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 1.17 0.96 0.92 0.00 0.00 136 G 6.98 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.47 4.20 0.00 1.95 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 2.18 2.21 0.00