NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1067 8.0549 120.3926 62.4465 32.4366 175.1679 2 L 3.9994 8.3206 127.5662 52.4802 42.3299 176.0646 3 S 4.5292 9.7778 118.9764 57.7554 66.2235 175.0454 4 E 4.2744 8.8666 122.0243 59.6709 29.3265 179.7932 5 G 3.6927 8.1521 105.1225 48.0078 0.0000 175.3568 6 E 3.9320 8.1960 121.1312 58.8274 29.3535 179.4453 7 W 4.4312 8.2305 119.1071 59.9490 29.1325 178.3146 8 Q 4.1050 8.5863 119.6409 59.1547 28.3291 178.3477 9 L 4.0744 7.9349 119.6995 57.6998 41.6423 179.5873 10 V 3.7749 7.9546 118.1318 66.2160 31.5878 177.9146 11 L 4.3891 8.5781 118.0279 56.9367 41.3475 178.8452 12 H 4.2448 8.3121 118.6445 59.2281 30.3059 177.2657 13 V 3.7318 7.8399 121.1954 64.4678 31.3564 178.1294 14 W 3.8016 8.6464 128.9261 60.0819 30.3073 177.7428 15 A 4.0224 8.1154 120.0159 55.0202 17.8903 179.4647 16 K 3.9112 7.6616 116.8387 59.2865 31.9399 179.7310 17 V 2.9001 6.9244 118.1215 65.6409 31.1941 177.4386 18 E 3.9283 7.3461 115.4689 57.9277 29.2908 178.3052 19 A 4.2112 7.3314 120.3730 53.4993 19.6924 177.6107 20 D 4.6594 8.0273 116.7925 52.2548 42.7855 175.6649 21 V 3.4539 7.7834 123.4705 65.9742 32.0997 176.8251 22 A 4.0641 7.9758 120.1541 54.9259 18.2828 179.7339 23 G 3.6360 8.3948 105.7591 45.5393 0.0000 175.7676 24 H 4.1746 8.2345 118.8252 58.4341 28.6999 178.1860 25 G 3.5556 8.3814 107.8850 47.7533 0.0000 175.7851 26 Q 3.8931 8.1788 120.4675 58.9022 28.7579 178.7079 27 D 4.2928 7.9177 119.7650 57.3248 40.7250 179.0122 28 I 3.6749 7.9625 120.6470 64.2817 37.0480 178.5379 29 L 3.4130 7.7519 119.7985 57.4632 41.2618 179.5137 30 I 3.5664 7.6159 119.9159 64.3725 36.9738 178.3710 31 R 3.7695 7.9040 119.3872 59.2115 29.8664 178.1408 32 L 3.9372 7.9680 120.3562 58.4467 41.5907 179.1383 33 F 4.5728 8.0989 117.9175 60.4674 38.5560 177.9656 34 K 4.0759 8.1845 117.8262 59.5101 31.9829 179.3427 35 S 4.3113 8.1786 114.7405 60.3286 63.9921 174.5391 36 H 4.6875 8.1144 118.4535 52.2431 29.8735 171.8973 37 P 4.4802 0.0000 0.0000 64.3823 31.2679 177.4686 38 E 4.1107 8.2391 116.4467 59.4086 29.3001 179.1798 39 T 4.0479 8.0944 111.5273 64.6446 68.8384 176.4035 40 L 3.5996 7.9518 122.7525 57.5919 41.7737 178.4508 41 E 4.0118 7.7388 117.0680 58.6522 29.6128 178.2611 42 K 4.4589 8.0282 116.9308 56.9007 32.6458 177.2923 43 F 4.5918 8.2028 119.3092 55.5663 39.8057 175.4693 44 D 4.3553 8.5816 125.1667 57.4157 40.4367 178.7082 45 R 3.7066 7.8680 117.8683 58.4239 30.1585 176.7213 46 F 5.0787 8.0758 114.7096 56.7154 40.7468 176.8412 47 K 4.0200 7.6593 119.6626 59.1303 32.3743 177.7527 48 H 4.3643 8.1415 114.1725 56.9891 28.8550 175.0627 49 L 4.3774 7.7980 122.0241 54.1649 41.6913 176.5789 50 K 4.4884 9.6562 123.3136 56.3462 33.9443 176.7775 51 T 4.7431 7.4599 108.6036 58.8756 73.2171 174.1878 52 E 3.8747 8.6623 121.8706 59.3532 29.7115 178.8196 53 A 4.0170 7.9841 120.4171 55.2919 18.2265 179.3032 54 E 3.9427 8.1644 116.1354 59.6883 29.9135 179.1766 55 M 4.1579 8.2298 118.8560 58.4582 31.8560 179.0543 56 K 3.9878 8.3044 117.3449 58.9583 32.2585 178.5722 57 A 4.3972 7.7640 119.2092 52.1202 19.0338 177.1253 58 S 4.3385 7.5062 113.4736 57.2726 62.6255 174.4604 59 E 4.0193 8.8262 129.3960 59.2222 29.4600 177.9858 60 D 4.4243 8.1610 117.9949 57.1551 41.3168 177.8054 61 L 3.5486 8.1308 121.0637 57.7700 42.1266 178.8451 62 K 3.8842 7.9962 119.4959 59.3564 32.1107 178.9386 63 K 4.0206 8.3623 119.0130 59.8261 31.9314 178.8461 64 H 4.4297 8.6904 118.6763 59.0602 29.7688 177.4740 65 G 3.5891 8.3797 107.9787 47.6859 0.0000 175.8856 66 V 3.5994 7.7642 120.1724 66.0506 31.5802 178.0723 67 T 3.8840 8.0016 115.5467 66.7297 68.2623 176.5690 68 V 3.5875 7.9000 119.8794 66.2570 31.6058 178.1857 69 L 4.2323 8.1942 118.5562 57.8760 41.4213 179.6866 70 T 4.0127 8.4179 116.2554 66.4372 68.5006 176.6615 71 A 4.0016 8.0715 122.8065 55.0517 18.3794 179.4253 72 L 3.7744 8.2338 119.2276 58.1225 42.0889 179.4120 73 G 3.2505 8.5809 105.8862 47.6599 0.0000 175.5064 74 A 3.9968 7.8107 122.1768 54.8375 18.6269 179.6078 75 I 3.8174 7.4710 118.0463 64.4632 37.1382 178.5721 76 L 3.9422 7.8923 120.1994 57.7127 41.2390 179.5600 77 K 3.9588 7.7783 116.3562 58.2252 32.2009 178.6780 78 K 3.9612 7.8412 118.5003 56.0049 32.5833 176.5576 79 K 2.0000 8.4099 118.4531 56.3836 29.8350 174.8438 80 G 3.9887 7.9229 105.9173 45.9654 0.0000 174.0432 81 H 4.5201 7.5088 118.5262 55.3348 27.5794 174.9992 82 H 5.1665 7.2451 110.4549 54.5125 29.6724 176.5820 83 E 3.9284 8.4490 123.0195 60.0858 29.1409 178.4562 84 A 4.0473 7.9233 119.2787 55.0954 18.4247 178.9565 85 E 4.1298 8.0929 116.7379 59.3973 29.7794 179.1935 86 L 4.2367 8.2871 119.3458 57.1727 41.5948 178.9617 87 K 3.7957 8.0368 120.1491 59.3580 32.0405 176.9847 88 P 4.2380 0.0000 0.0000 65.6094 31.1845 178.0964 89 L 3.9852 7.5423 120.2549 57.9002 42.0494 178.7362 90 A 4.1190 8.4846 121.0863 55.3796 18.3525 179.5836 91 Q 3.8249 8.2683 116.8834 59.1323 28.7035 179.3521 92 S 3.9969 8.2622 115.3536 61.7082 63.0368 176.2353 93 H 4.1273 8.6533 119.7257 58.0237 28.2080 177.7728 94 A 2.9579 7.8555 122.7784 54.6767 18.2154 179.0651 95 T 3.7020 7.1677 105.6396 62.0105 69.6366 175.2638 96 K 4.1900 7.4395 120.2703 58.2685 33.4253 176.8158 97 H 4.3456 7.9639 114.1592 55.9799 29.4147 175.3134 98 K 3.7609 7.7042 116.9066 57.3648 28.5800 176.1488 99 I 4.2672 7.8540 119.3113 58.8483 38.6841 175.1159 100 P 4.4727 0.0000 0.0000 62.0905 32.1244 177.4491 101 I 3.3949 8.3718 121.7623 64.6014 36.8610 178.6242 102 K 3.7557 7.8284 119.7041 59.4465 32.0134 178.0312 103 Y 4.0834 7.9617 116.5965 60.1273 37.8251 177.7575 104 L 4.2016 7.9313 120.4807 57.2605 41.7051 178.8162 105 E 3.9633 7.9111 119.1378 59.3102 29.6278 178.7143 106 F 4.4983 7.7573 117.8089 60.8038 38.8896 177.5898 107 I 3.8877 8.1927 118.1730 63.9513 37.7531 178.0901 108 S 4.1774 8.3236 116.3941 61.6290 62.5927 176.4384 109 E 4.0690 8.5193 121.0739 59.3304 29.2073 179.2964 110 A 4.0141 8.1837 120.9038 55.0642 18.4322 179.6783 111 I 3.6803 8.0881 118.5636 64.7413 37.2620 178.6812 112 I 3.8491 7.9484 120.5098 64.6223 36.8871 178.0024 113 H 4.1041 8.5286 119.1387 59.3925 29.7175 177.5118 114 V 3.5497 7.9414 120.0005 66.0117 31.3303 177.9944 115 L 3.7709 7.9468 118.8036 57.6748 41.0177 179.0126 116 H 4.4171 7.9422 117.6637 59.3951 29.9498 177.2022 117 S 4.1797 7.9871 115.9831 61.4748 62.7533 176.3433 118 R 4.1338 7.8317 118.8899 57.2189 31.1234 176.3030 119 H 5.0531 8.1479 116.3897 54.1596 30.0121 173.4339 120 P 4.3149 0.0000 0.0000 65.7822 31.6047 178.9103 121 G 3.7062 8.1472 106.4563 47.4966 0.0000 173.6045 122 D 4.9888 8.0297 117.9909 54.0643 41.5316 176.4178 123 F 4.9484 7.9973 120.8184 56.3723 39.5968 174.4596 124 G 3.8705 7.8412 108.2836 44.1924 0.0000 172.5894 125 A 3.9585 8.4050 120.8426 54.7833 18.2378 179.5485 126 D 4.1780 7.9669 117.1908 56.8172 39.4766 178.7215 127 A 3.9594 7.7632 122.1524 54.4754 18.3217 179.4772 128 Q 3.1826 7.9595 117.3585 58.6123 28.6438 179.0858 129 G 3.4695 8.3037 107.0608 47.6491 0.0000 175.6995 130 A 3.8596 8.0083 123.2681 55.0657 18.3011 179.4645 131 M 4.0015 8.4748 117.2231 58.5273 32.2241 177.9173 132 N 4.3015 8.4490 117.6688 56.6574 39.0568 176.9218 133 K 3.8516 8.1407 119.6155 59.4357 32.1157 179.1833 134 A 3.8471 8.0703 121.1668 55.1484 18.2745 179.7255 135 L 4.0970 8.3110 117.7354 57.6815 41.6182 179.5351 136 E 4.0057 8.5309 119.1783 59.2549 29.3547 179.0339 137 L 4.0075 8.2570 120.6578 57.9282 42.1073 178.6702 138 F 4.1272 8.3896 120.6387 61.6139 39.3959 177.4106 139 R 3.5788 8.2824 117.5821 58.7923 29.7937 178.9045 140 K 3.8129 8.3706 119.8996 59.8260 32.0947 178.6564 141 D 4.3868 8.2175 119.0069 57.1096 40.6229 178.8943 142 I 3.5275 7.6221 120.4112 64.1813 36.9310 178.2400 143 A 3.6914 8.2591 121.7480 55.0266 18.1121 179.5796 144 A 3.9424 8.0042 119.3601 55.1528 18.5091 180.0558 145 K 4.0376 7.9453 117.3116 59.5683 32.1087 179.1177 146 Y 4.0967 8.5039 117.4817 61.0627 37.8413 178.7059 147 K 4.0131 8.4889 120.7332 59.3684 32.0745 178.1507 148 E 3.9376 7.9682 118.6615 59.4764 29.6571 178.3862 149 L 4.4179 7.6920 115.2713 55.1694 41.9538 177.6225 150 G 3.8048 8.1185 107.2346 45.9625 0.0000 173.5417 151 Y 4.5525 8.2215 114.2154 57.3200 38.6293 176.8925 152 Q 4.0935 8.3080 122.7618 56.9252 29.5739 176.1309 153 G 4.1719 8.1270 110.7374 45.9553 0.0000 173.1826 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 4.11 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 1.05 0.00 0.00 0.96 0.00 0.00 2 L 8.32 4.00 0.00 0.76 0.57 0.55 -0.60 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 3 S 9.78 4.53 0.00 4.02 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 4 E 8.87 4.27 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 8.15 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 6 E 8.20 3.93 0.00 1.94 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 2.21 2.26 0.00 7 W 8.23 4.43 0.00 3.56 3.17 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 8 Q 8.59 4.11 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.93 4.07 0.00 1.97 1.75 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.95 3.77 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 1.22 0.00 0.00 0.86 0.00 0.00 11 L 8.58 4.39 0.00 1.85 1.82 0.94 1.03 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 8.31 4.24 0.00 3.29 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.01 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 3.73 2.47 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 1.01 0.00 0.00 0.83 0.00 0.00 14 W 8.65 3.80 0.00 3.70 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 8.12 4.02 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 16 K 7.66 3.91 0.00 1.41 1.52 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.40 7.81 17 V 6.92 2.90 0.76 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 0.03 0.00 0.00 0.11 0.00 0.00 18 E 7.35 3.93 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 19 A 7.33 4.21 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 20 D 8.03 4.66 0.00 2.62 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 7.78 3.45 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 1.07 0.00 0.00 0.90 0.00 0.00 22 A 7.98 4.06 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 8.39 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 24 H 8.23 4.17 0.00 3.28 3.22 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 8.38 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 8.18 3.89 0.00 2.20 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 2.48 0.00 27 D 7.92 4.29 0.00 2.74 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 7.96 3.67 2.00 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 0.76 0.88 0.00 0.00 29 L 7.75 3.41 0.00 1.29 0.78 0.76 0.40 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 7.62 3.57 1.83 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 1.35 0.61 0.87 0.00 0.00 31 R 7.90 3.77 0.00 1.85 1.98 0.00 2.92 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 32 L 7.97 3.94 0.00 1.76 1.50 1.09 1.16 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 33 F 8.10 4.57 0.00 2.99 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 34 K 8.18 4.08 0.00 1.75 1.83 0.00 1.74 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 8.18 4.31 0.00 3.76 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 36 H 8.11 4.69 0.00 3.05 2.85 0.00 5.62 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 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 8.24 4.11 0.00 2.28 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 1.95 2.36 0.00 39 T 8.09 4.05 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 0.99 0.00 0.00 40 L 7.95 3.60 0.00 1.26 1.73 0.05 1.01 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 7.74 4.01 0.00 2.07 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 2.38 2.45 0.00 42 K 8.03 4.46 0.00 1.97 1.71 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.93 7.81 43 F 8.20 4.59 0.00 3.18 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 44 D 8.58 4.36 0.00 2.64 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 45 R 7.87 3.71 0.00 1.37 0.66 0.00 3.00 0.00 0.00 2.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 46 F 8.08 5.08 0.00 2.88 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 47 K 7.66 4.02 0.00 2.00 2.07 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.40 7.81 48 H 8.14 4.36 0.00 3.31 3.49 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 7.80 4.38 0.00 1.60 1.58 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.66 4.49 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.48 7.81 51 T 7.46 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 1.21 0.00 0.00 52 E 8.66 3.87 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 2.35 2.35 0.00 53 A 7.98 4.02 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 8.16 3.94 0.00 2.10 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 8.23 4.16 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 56 K 8.30 3.99 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.76 4.40 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 58 S 7.51 4.34 0.00 3.94 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 59 E 8.83 4.02 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 2.45 0.00 60 D 8.16 4.42 0.00 2.92 2.95 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 61 L 8.13 3.55 0.00 1.35 1.60 -0.21 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.00 3.88 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.36 4.02 0.00 2.14 1.94 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.64 7.81 64 H 8.69 4.43 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 3.59 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 0.00 0.00 0.00 66 V 7.76 3.60 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 8.00 3.88 4.39 0.00 0.00 0.00 0.00 0.00 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 68 V 7.90 3.59 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 1.17 0.00 0.00 0.99 0.00 0.00 69 L 8.19 4.23 0.00 1.80 1.89 0.89 0.79 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 70 T 8.42 4.01 4.46 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 1.26 0.00 0.00 71 A 8.07 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.23 3.77 0.00 1.59 1.72 0.23 0.91 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 8.58 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 0.00 0.00 0.00 74 A 7.81 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 75 I 7.47 3.82 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.97 0.00 0.00 76 L 7.89 3.94 0.00 1.15 1.55 -0.32 0.96 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 77 K 7.78 3.96 0.00 1.72 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.84 3.96 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.76 7.81 79 K 8.41 2.00 0.00 1.19 0.74 0.00 1.46 0.00 0.00 1.40 0.00 0.00 2.60 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 7.92 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 7.51 4.52 0.00 3.17 3.24 0.00 5.81 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 82 H 7.25 5.17 0.00 3.29 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.93 0.00 2.13 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 2.39 2.46 0.00 84 A 7.92 4.05 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 85 E 8.09 4.13 0.00 2.26 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 8.29 4.24 0.00 1.86 1.67 0.95 0.80 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 87 K 8.04 3.80 0.00 2.01 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.32 2.30 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.54 3.99 0.00 1.95 1.90 1.00 1.16 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 90 A 8.48 4.12 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 8.27 3.82 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 92 S 8.26 4.00 0.00 3.87 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 93 H 8.65 4.13 0.00 3.47 3.56 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 7.86 2.96 -0.06 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 95 T 7.17 3.70 4.11 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 0.81 0.00 0.00 96 K 7.44 4.19 0.00 1.54 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.33 7.81 97 H 7.96 4.35 0.00 3.02 3.13 0.00 5.84 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 7.70 3.76 0.00 1.89 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.38 7.81 99 I 7.85 4.27 2.03 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 1.34 0.95 1.08 0.00 0.00 100 P 0.00 4.47 0.00 1.74 1.76 0.00 2.41 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.73 0.00 101 I 8.37 3.39 1.71 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.71 0.00 0.00 102 K 7.83 3.76 0.00 1.74 1.68 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 0.71 7.81 103 Y 7.96 4.08 0.00 3.06 3.06 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 0.00 104 L 7.93 4.20 0.00 1.83 1.81 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 3.96 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 106 F 7.76 4.50 0.00 3.23 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.19 3.89 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 1.09 0.00 0.00 108 S 8.32 4.18 0.00 4.17 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 8.52 4.07 0.00 2.32 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 0.00 2.65 2.60 0.00 110 A 8.18 4.01 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 0.00 111 I 8.09 3.68 2.10 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 1.61 0.85 1.06 0.00 0.00 112 I 7.95 3.85 2.01 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 1.69 0.90 1.17 0.00 0.00 113 H 8.53 4.10 0.00 3.32 3.46 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 7.94 3.55 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 0.95 0.00 0.00 0.95 0.00 0.00 115 L 7.95 3.77 0.00 0.92 0.48 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.94 4.42 0.00 3.48 3.55 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 7.99 4.18 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.83 4.13 0.00 1.49 1.50 0.00 2.68 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 119 H 8.15 5.05 0.00 3.19 3.18 0.00 5.62 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 2.19 2.21 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.15 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 0.00 122 D 8.03 4.99 0.00 2.77 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 0.00 123 F 8.00 4.95 0.00 3.01 3.01 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 0.00 0.00 0.00 124 G 7.84 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 7.97 4.18 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.76 3.96 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 0.00 128 Q 7.96 3.18 0.00 1.95 1.89 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 1.74 1.67 0.00 129 G 8.30 3.47 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 0.00 0.00 0.00 0.00 130 A 8.01 3.86 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 0.00 131 M 8.47 4.00 0.00 2.39 2.49 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 N 8.45 4.30 0.00 2.86 2.93 0.00 0.00 7.16 8.13 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 0.00 133 K 8.14 3.85 0.00 1.83 1.67 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.07 3.85 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 0.00 135 L 8.31 4.10 0.00 1.73 1.78 0.97 0.99 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 0.00 136 E 8.53 4.01 0.00 2.21 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 2.53 0.00 137 L 8.26 4.01 0.00 1.88 1.99 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.13 0.00 3.04 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 0.00 139 R 8.28 3.58 0.00 2.06 1.87 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 140 K 8.37 3.81 0.00 1.82 1.98 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.22 4.39 0.00 2.75 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 7.62 3.53 1.44 0.00 0.00 -0.54 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 0.14 0.41 0.00 0.00 143 A 8.26 3.69 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 0.00 144 A 8.00 3.94 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 7.95 4.04 0.00 1.98 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 146 Y 8.50 4.10 0.00 3.06 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 8.49 4.01 0.00 2.07 1.99 0.00 1.66 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 1.46 1.47 7.81 148 E 7.97 3.94 0.00 2.05 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 0.00 2.35 2.39 0.00 149 L 7.69 4.42 0.00 2.04 1.98 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.12 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 0.00 151 Y 8.22 4.55 0.00 2.64 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 0.00 152 Q 8.31 4.09 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 153 G 8.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00