NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3866 8.4449 116.7537 55.7145 31.6991 174.6764 3 L 4.1695 8.2879 113.9827 58.2352 42.9076 175.8224 4 I 4.8203 7.8547 119.1164 60.0497 39.1369 175.4352 5 V 4.4474 8.8573 126.1194 61.1974 34.9299 173.6839 6 N 5.1615 8.8926 125.3322 51.9888 40.6892 174.0746 7 V 4.8132 8.7813 124.2104 61.2997 34.1425 174.1993 8 I 4.9097 8.8039 129.6119 59.6857 39.9078 174.3500 9 N 5.4299 9.3093 125.4432 51.7847 41.0876 175.4922 10 G 4.4376 8.7384 113.3757 43.5478 0.0000 170.9594 11 P 4.5127 0.0000 0.0000 64.3194 31.9388 176.6888 12 N 4.5899 9.9821 118.6484 53.6168 37.7851 176.4067 13 L 4.1037 7.5896 117.8213 56.6000 41.9575 179.3169 14 G 3.5769 8.0188 106.8648 48.0270 0.0000 174.3108 15 R 4.3668 7.7853 117.8553 55.7308 30.4547 176.1965 16 L 4.1271 7.3911 119.6211 56.7496 42.1236 177.6247 17 G 4.0921 9.2809 110.4100 45.0018 0.0000 173.9172 18 R 4.5451 7.3446 115.0403 55.2589 29.3730 176.2284 *23 V 3.8368 7.6728 118.9092 63.6691 33.2670 175.3339 24 Y 4.4538 7.7520 112.8289 57.2881 38.5251 176.3627 25 G 3.8672 8.2028 107.9661 44.9388 0.0000 173.1345 26 G 3.9511 8.2795 105.3236 45.7988 0.0000 174.4955 27 T 4.2201 7.7584 117.3314 63.6407 69.1969 174.8124 28 T 4.9110 8.4869 117.7312 60.0529 71.7941 175.6358 29 H 3.9937 8.5779 120.2585 59.4934 29.7734 176.9090 30 D 4.3068 8.0521 120.1962 57.3461 40.6389 178.2731 31 E 3.9053 8.1255 119.1063 59.2680 29.4783 179.1809 32 L 3.7603 8.0113 120.5058 58.0723 42.1294 178.8584 33 V 3.4094 7.7431 118.2092 66.2377 31.3727 177.8700 34 A 3.9557 8.0843 120.1840 55.0171 18.1744 179.5569 35 L 3.9181 8.1195 117.7537 57.9223 41.6076 179.8474 36 I 3.6448 7.7230 119.5335 64.4230 37.1181 178.2086 37 E 3.8974 8.1681 119.3519 59.5235 29.4666 179.2914 38 R 3.8697 7.9237 118.5520 59.6923 30.1879 178.1410 39 E 3.9712 8.3104 118.6694 59.0592 29.6530 178.5776 40 A 4.0086 8.3540 121.0329 54.9101 18.5375 179.4929 41 A 3.9102 8.1429 119.3856 55.2790 18.2637 179.1337 42 E 3.8734 7.7680 116.2828 59.5677 29.7132 178.5123 43 L 4.3551 7.6275 115.4973 54.8039 42.0457 177.7848 44 G 3.8658 7.8067 106.9596 45.2548 0.0000 173.0094 45 L 4.7854 7.5912 118.8793 52.7808 44.6376 175.5506 46 K 4.5582 8.9166 121.4033 54.7295 34.4648 174.3521 47 A 5.0151 8.6243 129.3814 50.5056 20.7403 176.0173 48 V 4.0961 8.6296 123.4184 61.2703 33.4275 174.3806 49 V 4.7331 8.1863 128.2760 61.2476 33.0826 175.0022 50 R 4.4778 9.0213 126.0504 54.3481 34.3748 173.9879 51 Q 5.1641 8.4491 121.7193 54.7900 32.0523 173.9806 52 S 4.8019 9.2054 119.2004 57.3309 66.0594 174.2371 53 D 4.5089 8.9307 124.6439 55.1086 41.4471 176.6800 54 S 4.4910 7.8756 115.5498 56.5834 63.2902 173.5918 55 E 3.8482 8.7867 130.2678 59.5883 29.4120 178.4984 56 A 3.8717 7.8502 120.0664 55.0575 18.4386 179.2868 57 Q 3.4023 7.6005 118.2656 58.9698 29.0673 178.2389 58 L 3.9889 7.6565 119.9840 57.8703 41.5933 179.4829 59 L 3.8715 8.0287 119.1042 57.6940 41.4572 179.1724 60 D 4.2268 7.7479 117.8338 57.0554 41.1921 178.3470 61 W 4.4686 7.7917 119.4159 59.9939 29.0132 178.5434 62 I 3.8122 7.9968 119.7322 64.6267 36.4119 178.1298 63 H 4.2623 8.3948 117.2315 59.1876 28.6132 177.8430 64 Q 4.0304 8.4118 119.5202 58.9884 28.5418 178.7789 65 A 4.0375 8.2991 121.5723 54.8784 18.3071 179.5432 66 A 3.9460 8.3138 119.5348 55.6692 18.3214 179.7139 67 D 4.3451 8.2383 115.9585 57.1182 41.0084 178.1513 68 A 4.2050 8.1588 118.5758 51.4583 19.2433 176.7056 69 A 3.7051 7.5342 118.7516 53.1622 16.7310 176.9542 70 E 4.8435 7.9256 119.0082 54.9494 31.7313 175.6795 71 P 4.6944 0.0000 0.0000 63.0253 33.2115 175.0637 72 V 4.9517 8.5573 120.3043 61.2797 35.0373 174.0810 73 I 4.8584 8.9399 128.7957 59.5476 39.4742 174.2462 74 L 5.0244 9.0412 129.7930 53.2808 45.0386 174.5842 75 N 5.2562 9.3626 125.4772 51.0371 39.4447 174.4663 76 A 4.2860 8.6498 127.6170 51.6335 20.4733 178.4567 77 G 3.9473 8.2296 105.9868 46.2583 0.0000 177.7574 78 G 3.7501 8.6980 110.6742 48.2290 0.0000 175.0215 79 L 4.2686 7.6280 120.4006 57.0474 41.3227 179.3199 80 T 3.9025 7.6274 115.8844 66.9577 68.2484 175.0890 81 H 4.9674 7.8883 114.3114 56.2979 29.5679 175.9026 82 T 4.5451 7.8380 109.4171 61.8273 70.8477 173.3779 83 S 4.4915 8.2572 117.7899 56.9887 62.3508 174.5750 84 V 3.2881 7.9842 128.2044 65.4450 31.4338 177.4225 85 A 3.9225 7.8639 120.3056 55.0241 18.1584 179.2558 86 L 3.8534 8.0131 118.6940 58.1862 42.1778 178.8660 87 R 3.9122 7.6114 118.6893 59.9200 29.7438 178.2121 88 D 4.3424 8.1769 117.0545 57.2196 40.9172 178.3485 89 A 4.1954 7.9996 121.2555 55.3169 18.3831 179.5255 90 C 4.1669 8.2904 115.1330 62.6952 27.9700 175.9715 91 A 4.1386 8.0762 121.5228 54.6124 17.9618 178.8335 92 E 4.1702 7.8316 115.9183 57.1522 30.0366 177.3522 93 L 4.1109 7.3930 119.8970 55.0613 42.1281 177.1615 94 S 4.3920 8.6351 117.0014 59.7040 64.1340 174.4016 95 A 4.4559 7.6815 121.4599 50.2989 19.6592 175.5427 96 P 4.4498 0.0000 0.0000 62.7418 33.0133 175.4503 97 L 5.1586 8.4903 124.1928 53.3951 44.9907 174.9919 98 I 4.7168 8.5290 127.2415 59.3607 39.4895 174.3601 99 E 4.5665 8.8336 129.5438 55.6839 30.6377 175.2575 100 V 4.5747 8.6226 127.3987 61.3316 34.4834 173.8965 101 H 4.9008 8.9780 123.9544 54.2442 32.0963 174.5214 102 I 3.8880 8.7737 124.3209 64.3922 37.9872 176.9281 103 S 4.5552 8.0858 114.3420 57.1356 64.3091 173.7553 104 N 4.5466 8.3118 119.8055 52.7615 37.3529 175.8787 105 V 3.6719 8.1222 119.1493 63.6380 31.7845 177.1216 106 H 4.4746 8.3572 115.3697 56.3148 28.9503 175.4858 107 A 4.7598 7.8710 121.9756 51.7639 19.8353 177.2574 108 R 4.5591 7.3068 118.8742 57.0375 31.5385 175.7724 109 E 3.9784 8.2002 123.3558 56.7669 30.4654 177.0988 110 E 3.8410 8.8170 123.0388 59.4226 29.6683 179.1702 111 F 4.3726 7.7498 112.4216 58.9867 38.0621 176.4186 112 R 3.6347 7.1101 119.1123 56.9869 30.0994 177.0150 113 R 4.1521 7.7285 116.4854 56.1236 30.3491 175.3990 114 H 4.8000 7.5987 118.1602 54.0051 31.8656 172.9000 115 S 4.7790 7.9630 120.3483 56.4859 64.4683 173.5486 116 Y 4.1917 8.6845 125.3521 60.0725 38.3544 176.8848 117 L 4.4175 8.0558 120.0174 56.7540 42.4418 178.8982 118 S 4.2971 8.0919 113.7298 60.4791 62.8556 174.9405 119 P 4.3840 0.0000 0.0000 64.4882 31.1624 176.8522 120 I 4.2384 7.4559 109.0218 60.3342 38.3778 175.7829 121 A 4.2826 7.2476 123.1735 52.2570 19.0328 177.9431 122 T 4.0444 8.6032 117.1568 66.5399 69.0148 175.0071 123 G 4.0675 7.5217 105.7831 45.3790 0.0000 171.7010 124 V 5.0559 8.0405 118.7104 61.0711 34.7865 174.3657 125 I 4.6252 8.8082 127.7822 59.6259 40.2757 174.9075 126 V 5.0084 7.5555 119.0971 59.3357 35.2712 176.2459 127 G 3.8859 9.0374 110.9224 46.1927 0.0000 173.7272 128 L 4.4904 7.8787 117.6723 53.7216 42.5071 178.6625 129 G 3.8745 7.8227 108.1118 46.0611 0.0000 175.6917 130 I 4.0633 8.3311 118.2651 64.2679 37.6896 177.9646 131 Q 4.1748 8.3487 120.9591 58.8496 28.6518 178.1032 132 G 3.7932 7.9388 106.8685 48.2153 0.0000 175.0291 133 Y 4.1213 7.9020 118.2882 60.9526 37.9561 178.8339 134 L 4.0743 8.0696 119.2703 57.9190 41.7802 179.5094 135 L 4.0871 8.4977 119.1492 57.5654 41.6536 179.3146 136 A 4.0546 8.2801 120.9907 55.1685 18.2976 179.6606 137 L 4.0311 7.9752 117.5851 57.9542 41.6889 179.7457 138 R 3.9785 7.9086 118.3419 59.1339 30.1241 177.7053 139 Y 4.0344 8.2127 119.5648 60.9526 38.5905 178.3686 140 L 4.0297 7.8726 117.7063 57.7656 41.7656 179.1574 141 A 4.1176 7.9114 120.0296 54.9488 18.3943 179.0329 142 E 4.0755 7.9941 115.5475 57.9424 30.2793 177.5075 143 H 4.7331 7.4802 116.5812 54.8557 28.9998 175.1241 144 V 4.0113 7.3273 118.4391 61.7880 32.6166 175.6154 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 E 8.44 4.39 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 3 L 8.29 4.17 0.00 1.72 1.73 0.92 0.48 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 4 I 7.85 4.82 1.87 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 1.22 0.51 0.90 0.00 0.00 5 V 8.86 4.45 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 6 N 8.89 5.16 0.00 2.81 2.67 0.00 0.00 6.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.78 4.81 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 0.92 0.00 0.00 0.96 0.00 0.00 8 I 8.80 4.91 1.94 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 1.18 0.72 1.14 0.00 0.00 9 N 9.31 5.43 0.00 2.69 2.77 0.00 0.00 6.39 7.90 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 10 G 8.74 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.51 0.00 2.05 2.00 0.00 3.97 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 2.04 2.12 0.00 12 N 9.98 4.59 0.00 2.81 2.95 0.00 0.00 6.91 7.13 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 13 L 7.59 4.10 0.00 1.85 1.74 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.02 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 0.00 0.00 0.00 15 R 7.79 4.37 0.00 1.96 1.95 0.00 3.32 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 16 L 7.39 4.13 0.00 1.68 1.87 0.95 1.21 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 17 G 9.28 4.09 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 0.00 0.00 0.00 18 R 7.34 4.55 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 *23 V 7.67 3.84 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 -0.07 0.00 0.00 0.77 0.00 0.00 24 Y 7.75 4.45 0.00 3.06 3.03 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 0.00 0.00 0.00 25 G 8.20 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 26 G 8.28 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 27 T 7.76 4.22 4.26 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 1.20 0.00 0.00 28 T 8.49 4.91 4.25 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 1.27 0.00 0.00 29 H 8.58 3.99 0.00 3.32 3.33 0.00 5.68 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 30 D 8.05 4.31 0.00 2.71 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 31 E 8.13 3.91 0.00 2.27 1.98 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 2.32 2.31 0.00 32 L 8.01 3.76 0.00 1.56 1.60 0.56 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.74 3.41 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 0.88 0.00 0.00 0.78 0.00 0.00 34 A 8.08 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.12 3.92 0.00 1.79 1.70 0.90 1.13 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 36 I 7.72 3.64 1.88 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.87 0.00 0.00 37 E 8.17 3.90 0.00 1.97 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 2.29 2.42 0.00 38 R 7.92 3.87 0.00 1.94 2.07 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 39 E 8.31 3.97 0.00 2.14 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 2.33 2.38 0.00 40 A 8.35 4.01 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 0.00 0.00 0.00 0.00 0.00 41 A 8.14 3.91 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 42 E 7.77 3.87 0.00 2.44 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 0.00 2.33 2.25 0.00 43 L 7.63 4.36 0.00 1.85 1.70 0.94 0.77 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 44 G 7.81 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 45 L 7.59 4.79 0.00 1.54 1.74 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.92 4.56 0.00 1.75 1.62 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.62 5.02 1.20 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 0.00 0.00 0.00 48 V 8.63 4.10 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 0.85 0.00 0.00 0.88 0.00 0.00 49 V 8.19 4.73 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 0.78 0.00 0.00 0.83 0.00 0.00 50 R 9.02 4.48 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.93 0.00 51 Q 8.45 5.16 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.08 0.00 52 S 9.21 4.80 0.00 3.98 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 53 D 8.93 4.51 0.00 2.69 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 54 S 7.88 4.49 0.00 3.82 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 55 E 8.79 3.85 0.00 2.03 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 2.33 2.35 0.00 56 A 7.85 3.87 1.23 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 0.00 0.00 0.00 57 Q 7.60 3.40 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 58 L 7.66 3.99 0.00 1.83 1.75 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.03 3.87 0.00 1.72 1.55 0.88 1.15 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 60 D 7.75 4.23 0.00 2.66 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 0.00 0.00 0.00 0.00 61 W 7.79 4.47 0.00 3.67 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 62 I 8.00 3.81 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.92 0.94 0.00 0.00 63 H 8.39 4.26 0.00 3.37 3.35 0.00 5.64 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 64 Q 8.41 4.03 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 65 A 8.30 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.31 3.95 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 0.00 0.00 0.00 0.00 0.00 67 D 8.24 4.35 0.00 2.68 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 68 A 8.16 4.20 1.34 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 69 A 7.53 3.71 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 70 E 7.93 4.84 0.00 1.89 1.88 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 2.27 2.25 0.00 71 P 0.00 4.69 0.00 2.15 2.22 0.00 3.82 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 2.10 1.99 0.00 72 V 8.56 4.95 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 1.00 0.00 0.00 0.97 0.00 0.00 73 I 8.94 4.86 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.96 0.00 0.00 74 L 9.04 5.02 0.00 1.72 1.47 1.02 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.36 5.26 0.00 2.76 3.02 0.00 0.00 6.96 8.10 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 76 A 8.65 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.23 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 78 G 8.70 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.63 4.27 0.00 1.93 1.76 0.92 0.65 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 80 T 7.63 3.90 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 1.22 0.00 0.00 81 H 7.89 4.97 0.00 3.31 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.84 4.55 4.28 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 1.32 0.00 0.00 83 S 8.26 4.49 0.00 3.87 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 84 V 7.98 3.29 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.28 0.00 0.00 85 A 7.86 3.92 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 86 L 8.01 3.85 0.00 1.77 1.67 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.61 3.91 0.00 1.94 2.09 0.00 3.41 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 88 D 8.18 4.34 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.00 4.20 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 90 C 8.29 4.17 0.00 3.18 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 91 A 8.08 4.14 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 92 E 7.83 4.17 0.00 2.13 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 2.35 2.36 0.00 93 L 7.39 4.11 0.00 1.68 1.64 0.98 1.02 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 94 S 8.64 4.39 0.00 3.98 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 95 A 7.68 4.46 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 96 P 0.00 4.45 0.00 2.19 2.10 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 97 L 8.49 5.16 0.00 1.70 1.48 0.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.53 4.72 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.82 0.00 0.00 99 E 8.83 4.57 0.00 2.04 1.78 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 2.21 2.18 0.00 100 V 8.62 4.57 1.62 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 0.28 0.00 0.00 0.67 0.00 0.00 101 H 8.98 4.90 0.00 3.03 3.15 0.00 5.67 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 0.00 102 I 8.77 3.89 2.17 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 1.13 0.00 0.00 103 S 8.09 4.56 0.00 3.82 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 0.00 104 N 8.31 4.55 0.00 2.73 2.74 0.00 0.00 6.89 7.71 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 0.00 105 V 8.12 3.67 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 0.65 0.00 0.00 0.69 0.00 0.00 106 H 8.36 4.47 0.00 3.27 3.29 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.87 4.76 1.22 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 0.00 0.00 108 R 7.31 4.56 0.00 1.59 1.51 0.00 3.09 0.00 0.00 3.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 109 E 8.20 3.98 0.00 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 110 E 8.82 3.84 0.00 2.00 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 2.38 2.38 0.00 111 F 7.75 4.37 0.00 3.23 3.30 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 0.00 112 R 7.11 3.63 0.00 1.74 1.80 0.00 2.95 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.00 113 R 7.73 4.15 0.00 1.86 1.97 0.00 3.07 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 114 H 7.60 4.80 0.00 3.13 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.96 4.78 0.00 3.78 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.68 4.19 0.00 3.20 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 0.00 117 L 8.06 4.42 0.00 1.85 1.72 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.09 4.30 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.38 0.00 2.07 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 120 I 7.46 4.24 1.89 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 1.27 0.78 0.94 0.00 0.00 121 A 7.25 4.28 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 0.00 122 T 8.60 4.04 4.25 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 1.18 0.00 0.00 123 G 7.52 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.04 5.06 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 0.92 0.00 0.00 0.97 0.00 0.00 125 I 8.81 4.63 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.86 0.00 0.00 126 V 7.56 5.01 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 1.08 0.00 0.00 0.97 0.00 0.00 127 G 9.04 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 0.00 0.00 0.00 128 L 7.88 4.49 0.00 1.63 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.82 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 0.00 130 I 8.33 4.06 1.95 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 1.32 0.95 0.95 0.00 0.00 131 Q 8.35 4.17 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 132 G 7.94 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 0.00 133 Y 7.90 4.12 0.00 3.06 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 0.00 134 L 8.07 4.07 0.00 1.88 1.76 0.94 0.68 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 0.00 135 L 8.50 4.09 0.00 1.81 1.74 0.93 0.58 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 0.00 136 A 8.28 4.05 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 0.00 137 L 7.98 4.03 0.00 1.98 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.91 3.98 0.00 1.92 2.11 0.00 3.14 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 139 Y 8.21 4.03 0.00 3.16 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 0.00 140 L 7.87 4.03 0.00 1.91 1.77 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.91 4.12 1.34 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 0.00 142 E 7.99 4.08 0.00 1.86 1.88 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 2.39 2.45 0.00 143 H 7.48 4.73 0.00 2.79 3.13 0.00 5.81 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.33 4.01 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 0.67 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.