NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2620 8.4445 119.1135 53.9076 29.6949 175.7717 4 L 3.8113 7.7219 119.6515 54.4365 41.4625 178.1692 5 T 4.2954 8.2148 116.9239 60.5908 70.3637 175.1213 6 E 3.9836 8.5840 122.0971 59.6520 29.0706 178.5150 7 E 3.8778 8.2921 120.6200 58.9440 29.3904 178.4391 8 Q 4.1139 7.5897 116.4784 58.4377 29.1370 177.8871 9 I 4.2990 8.6634 121.7593 64.0410 37.7205 177.4224 10 A 4.0713 8.1394 121.1377 55.6558 18.0376 179.1144 11 E 3.8648 7.8774 115.6092 59.6870 29.3627 179.4138 12 F 4.6851 7.8921 116.2882 59.2801 39.1212 176.2966 13 K 4.4463 7.8323 116.5411 58.1837 33.9849 177.5690 14 E 3.9971 8.7309 118.8476 59.7353 29.4405 179.7658 15 A 4.0232 8.6772 120.5272 55.3030 18.3524 179.3017 16 F 3.7214 7.5469 117.9661 61.4417 39.4567 177.3966 17 S 4.1364 8.9169 114.9460 61.5544 62.6812 176.1199 18 L 3.4133 7.4902 121.2318 57.4982 41.6289 177.5820 19 F 4.4524 7.6198 114.9763 57.0637 39.1830 175.7177 20 D 4.4132 8.3275 124.1141 51.9253 38.9507 176.0861 21 K 3.6583 7.7196 122.9341 59.6520 33.2686 178.1700 22 D 4.5337 8.2722 118.7925 59.4681 37.8588 179.0768 23 G 3.9842 6.8789 104.5909 47.6187 0.0000 174.7777 24 D 4.3438 10.1806 119.4351 53.3774 38.6725 176.1091 25 G 4.0756 7.2472 108.9215 44.4759 0.0000 172.7440 26 T 4.9839 8.1824 109.1672 59.3163 71.6956 173.1392 27 I 4.6804 8.1528 116.1832 58.7950 40.3801 176.5624 28 T 4.3006 9.2394 113.7190 61.8830 70.9882 174.8851 29 T 3.9426 8.2815 116.1397 67.1261 68.9152 176.9763 30 K 3.8888 8.0410 119.7469 59.7472 31.8372 179.0537 31 E 3.9915 8.5060 118.2721 59.0909 29.5210 178.9548 32 L 4.1007 7.7704 120.5233 58.2832 42.0629 179.0828 33 G 3.9521 8.0171 104.5999 48.5607 0.0000 175.2135 34 T 4.1304 7.7907 117.2692 65.6952 68.4349 177.1138 35 V 2.7768 7.4793 116.6768 64.3050 31.0556 177.4622 *37 R 5.0806 8.0750 115.9920 56.5464 31.9096 177.6074 38 S 3.8384 7.7878 111.3210 61.5944 62.6551 175.6491 39 L 4.0007 7.3897 117.8933 55.3883 41.2115 177.5676 40 G 3.8478 9.1565 108.3303 45.7656 0.0000 173.0892 41 Q 4.7642 7.2286 119.4402 55.0525 31.8529 173.9790 42 N 4.6671 8.0004 110.1744 52.2133 37.5216 172.4039 43 P 4.4677 0.0000 0.0000 62.9262 32.5679 176.7341 44 T 4.3009 8.2185 109.3313 60.9000 69.9364 175.7312 45 E 3.8295 8.7507 122.7530 59.5599 29.6920 178.6222 46 A 4.3638 7.8862 120.0595 53.7691 19.7312 178.4439 47 E 4.1007 8.3057 115.6311 58.4125 29.6640 178.1857 48 L 4.1309 7.8297 119.5818 58.0055 42.0608 178.3539 49 Q 4.2292 8.0078 118.2805 58.5881 28.0047 177.7412 50 D 4.2656 7.7326 120.2464 55.8946 42.0748 178.8959 *52 I 4.0250 7.9692 120.4539 61.1430 39.4764 176.9404 53 N 4.0788 9.0429 118.0039 56.6978 38.6721 174.3404 54 E 4.4714 7.4149 116.7709 55.9439 29.8607 177.1259 55 V 4.2528 8.3155 112.8627 61.2266 35.3251 174.5090 56 D 4.9827 8.6120 127.5648 53.7777 41.3047 176.5940 57 A 4.8060 7.9362 116.3412 52.3863 19.5915 177.5012 58 D 4.8103 8.2674 116.2911 55.1690 42.0720 175.4160 59 G 3.7496 8.4904 108.8171 45.7977 0.0000 173.0877 60 N 5.1473 8.0655 121.7952 57.0379 38.3808 174.7116 61 G 4.2288 9.0016 115.7720 45.6431 0.0000 172.8837 62 T 4.3913 7.9792 109.7389 61.7173 70.4862 172.1058 63 I 4.5772 8.1300 122.2651 59.2333 40.0863 175.4176 64 D 5.2625 8.0317 123.0078 52.1286 43.1305 176.4350 65 F 3.1716 9.1016 116.4811 60.5813 39.0003 175.6154 66 P 4.1691 0.0000 0.0000 66.0850 31.1206 178.7452 67 E 3.5523 10.2271 115.8771 59.0651 29.3509 179.0627 68 F 4.4696 7.2456 119.4348 60.4301 39.9314 176.7707 69 L 3.6891 8.0813 119.0884 57.5703 42.4608 177.7404 70 T 3.7844 8.0337 117.1379 62.8910 66.1108 174.1529 *73 A 4.1579 7.5664 127.1070 51.2132 20.9480 179.8826 74 R 3.6802 6.6004 114.1687 58.1356 31.4036 178.8526 75 K 4.3769 7.6834 117.9904 56.3806 32.8085 176.4969 *77 K 4.4781 7.8611 114.4903 55.2922 33.3860 174.7513 78 D 4.8048 8.0064 116.5483 55.5355 47.3800 175.0557 79 T 3.9992 7.0168 110.9941 62.8146 67.8778 174.1894 80 D 4.6807 8.4080 124.2597 54.4345 44.2648 177.3779 81 S 4.3025 8.3117 118.1744 61.3746 62.6377 175.6395 82 E 3.9319 8.2967 121.8227 59.0789 29.4131 178.3947 83 E 4.1448 8.0684 118.8581 59.0970 29.8131 177.9426 84 E 3.9870 8.2499 118.0731 59.9424 29.6327 179.2738 85 I 3.5045 7.8154 119.3147 64.7556 37.2333 178.2323 86 R 4.3764 8.2513 119.0186 58.8016 29.6806 178.0056 87 E 4.2104 8.1231 116.9617 58.3873 30.1714 177.9654 88 A 4.3478 9.0775 122.2797 55.3011 18.5340 179.0591 89 F 3.2134 8.5106 118.9010 61.6607 39.1925 177.6169 90 R 3.9166 7.9355 115.5845 58.8517 29.8260 179.1515 91 V 3.6654 7.5271 117.6657 66.1334 31.7339 177.9327 92 F 4.1708 8.2222 115.2149 59.0939 39.4488 176.2270 93 D 4.6132 7.5752 119.5374 52.6173 38.3591 176.4365 94 K 4.0974 8.2891 121.8675 58.1613 32.6080 177.7471 95 D 4.5998 7.7896 116.6140 52.7420 39.9842 177.2641 96 G 3.9131 8.3636 108.3390 46.0010 0.0000 174.1527 97 N 4.5392 8.4409 115.9113 53.0174 37.9340 176.1828 98 G 3.9671 9.0039 107.6399 45.5663 0.0000 172.6317 99 Y 5.1734 7.5924 115.1666 56.1214 42.2327 174.8918 100 I 4.7124 8.9588 123.1719 59.8231 39.4470 175.1141 101 S 4.8380 9.2284 122.5711 56.7997 64.9492 175.3177 102 A 4.0653 8.8897 123.0340 55.3970 17.9250 180.0985 103 A 3.9621 7.9965 119.0422 55.4133 18.6148 179.3849 104 E 4.1516 7.8309 114.1259 58.8091 29.6488 178.4887 105 L 4.1544 8.1696 122.0187 57.8539 42.3050 178.0016 106 R 4.0567 8.1072 118.6848 60.8151 30.1908 177.1863 107 H 4.2211 8.3915 117.9108 58.3537 29.4770 176.9350 108 V 3.3683 8.1145 122.2775 62.7551 31.6282 178.4386 *110 T 4.6029 7.8250 108.2485 61.6414 70.7641 175.5847 111 N 4.2110 7.6959 118.6881 56.0963 38.5518 175.8223 112 L 4.1661 7.4264 114.5841 55.0915 41.6424 177.0207 113 G 3.7597 9.2927 107.7271 46.2737 0.0000 173.2141 114 E 4.4562 8.0201 119.8719 53.5768 31.5819 174.8202 115 K 4.1801 8.7061 126.4385 56.0519 31.7108 176.1131 116 L 4.7155 8.1303 123.9647 52.7488 44.2131 176.4803 117 T 4.1175 8.3773 117.3331 61.5541 67.8759 174.8795 118 D 4.4176 8.8905 128.4668 57.6626 41.7314 178.5640 119 E 3.9507 8.2460 118.7780 59.5790 29.6474 179.0182 120 E 4.0547 8.0975 112.8379 57.3862 29.1157 177.3177 121 V 4.2144 7.8888 118.1753 64.7086 33.2325 177.6511 122 D 4.4285 7.6035 119.1140 57.2493 41.0863 178.1710 123 Q 4.3403 7.9658 118.8397 56.8790 28.8526 177.1491 *125 I 4.1154 7.7603 118.9262 61.3548 39.3827 177.8569 126 R 3.8462 7.7899 120.0096 59.4641 29.8951 178.0405 127 E 4.0623 8.0411 115.9167 57.8427 29.6457 176.8173 128 A 4.4451 7.4362 119.6792 52.8460 20.1635 176.4002 129 D 4.8296 7.8692 116.4156 53.7534 41.8315 175.6758 130 I 4.2718 8.9916 127.8018 62.5598 38.6183 176.5496 131 D 4.4627 8.4022 117.1896 53.6343 39.9275 177.1743 132 G 3.8980 8.5066 107.9669 46.0574 0.0000 172.9782 133 D 4.6419 8.2762 117.6386 52.8432 39.5115 178.6624 134 G 4.0409 8.9611 111.0187 45.9352 0.0000 173.7623 135 Q 4.7982 7.5786 115.8564 54.4943 31.7622 175.2812 136 V 4.8868 8.3812 112.3271 59.6835 34.5516 175.7930 137 N 5.1210 9.5519 123.4387 51.5023 39.8557 175.3924 138 Y 2.9332 8.1629 119.1430 60.9548 38.4215 177.6631 139 E 3.6972 8.0204 118.3129 59.5831 29.3455 178.7959 140 E 3.9321 9.9024 118.4604 59.6450 29.7312 179.2616 141 F 4.2402 8.3462 119.6688 61.4880 39.6174 176.8349 142 V 3.5644 8.0228 116.9632 65.6561 32.6521 177.6024 143 Q 4.1763 7.7529 118.6749 55.7472 24.0230 176.4220 *146 T 4.0460 7.4789 112.6074 61.3168 71.1550 175.3668 147 A 3.8068 7.7117 124.7670 52.0988 18.6232 177.2859 148 K 4.1203 8.5758 122.8928 56.5268 32.3239 175.8045 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 3 Q 8.44 4.26 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 7.72 3.81 0.00 1.73 1.53 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.21 4.30 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 1.26 0.00 0.00 6 E 8.58 3.98 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 7 E 8.29 3.88 0.00 2.07 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 2.39 2.40 0.00 8 Q 7.59 4.11 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.63 2.67 0.00 9 I 8.66 4.30 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.39 1.00 0.00 0.00 10 A 8.14 4.07 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 11 E 7.88 3.86 0.00 1.73 1.76 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 2.26 2.47 0.00 12 F 7.89 4.69 0.00 3.34 3.41 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 13 K 7.83 4.45 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.58 1.82 7.81 14 E 8.73 4.00 0.00 2.22 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 2.41 2.56 0.00 15 A 8.68 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.55 3.72 0.00 2.81 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 17 S 8.92 4.14 0.00 4.01 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 18 L 7.49 3.41 0.00 2.09 2.19 1.01 0.48 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 19 F 7.62 4.45 0.00 2.94 2.93 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 0.00 0.00 0.00 0.00 20 D 8.33 4.41 0.00 2.34 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 K 7.72 3.66 0.00 1.86 1.69 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.47 7.81 22 D 8.27 4.53 0.00 2.80 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 23 G 6.88 3.98 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 0.00 24 D 10.18 4.34 0.00 2.82 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 25 G 7.25 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 0.00 0.00 0.00 26 T 8.18 4.98 4.36 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 1.25 0.00 0.00 27 I 8.15 4.68 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 -0.05 0.00 0.00 28 T 9.24 4.30 4.22 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 1.24 0.00 0.00 29 T 8.28 3.94 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 1.22 0.00 0.00 30 K 8.04 3.89 0.00 1.83 1.87 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.51 3.99 0.00 1.91 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 2.45 2.28 0.00 32 L 7.77 4.10 0.00 1.86 1.86 1.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.02 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 34 T 7.79 4.13 4.41 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 1.33 0.00 0.00 35 V 7.48 2.78 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 0.88 0.00 0.00 0.69 0.00 0.00 *37 R 8.07 5.08 0.00 1.99 1.96 0.00 3.48 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 38 S 7.79 3.84 0.00 3.84 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.39 4.00 0.00 1.61 1.74 0.80 0.99 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 40 G 9.16 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 0.00 0.00 0.00 41 Q 7.23 4.76 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 42 N 8.00 4.67 0.00 2.77 2.78 0.00 0.00 5.93 7.75 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 43 P 0.00 4.47 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.22 4.30 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 1.24 0.00 0.00 45 E 8.75 3.83 0.00 1.98 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 2.33 2.36 0.00 46 A 7.89 4.36 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 47 E 8.31 4.10 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 48 L 7.83 4.13 0.00 1.87 1.80 0.95 0.59 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 49 Q 8.01 4.23 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 50 D 7.73 4.27 0.00 2.78 2.70 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 *52 I 7.97 4.03 1.92 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 1.33 1.41 1.01 0.00 0.00 53 N 9.04 4.08 0.00 2.51 2.98 0.00 0.00 7.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.41 4.47 0.00 2.31 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 2.31 2.31 0.00 55 V 8.32 4.25 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.07 0.00 0.00 56 D 8.61 4.98 0.00 2.70 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 57 A 7.94 4.81 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 58 D 8.27 4.81 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.49 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 60 N 8.07 5.15 0.00 2.71 2.89 0.00 0.00 7.46 7.65 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 61 G 9.00 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 0.00 0.00 0.00 0.00 62 T 7.98 4.39 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 1.28 0.00 0.00 63 I 8.13 4.58 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 0.98 0.00 0.00 64 D 8.03 5.26 0.00 3.24 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 65 F 9.10 3.17 0.00 2.95 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 66 P 0.00 4.17 0.00 2.29 2.08 0.00 4.02 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 2.13 2.18 0.00 67 E 10.23 3.55 0.00 2.24 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 2.41 2.75 0.00 68 F 7.25 4.47 0.00 2.79 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 69 L 8.08 3.69 0.00 1.66 1.72 0.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.03 3.78 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 1.15 0.00 0.00 *73 A 7.57 4.16 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 74 R 6.60 3.68 0.00 1.78 1.89 0.00 3.34 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 75 K 7.68 4.38 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 *77 K 7.86 4.48 0.00 1.72 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.48 7.81 78 D 8.01 4.80 0.00 2.62 2.58 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 79 T 7.02 4.00 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 1.34 0.00 0.00 80 D 8.41 4.68 0.00 2.72 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 81 S 8.31 4.30 0.00 4.07 4.15 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 82 E 8.30 3.93 0.00 2.02 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 0.00 2.38 2.50 0.00 83 E 8.07 4.14 0.00 2.23 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 2.41 0.00 84 E 8.25 3.99 0.00 2.30 2.08 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 2.45 2.53 0.00 85 I 7.82 3.50 2.01 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 1.46 0.99 1.11 0.00 0.00 86 R 8.25 4.38 0.00 1.98 2.17 0.00 2.94 0.00 0.00 2.86 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 87 E 8.12 4.21 0.00 2.18 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 2.32 2.68 0.00 88 A 9.08 4.35 1.69 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 89 F 8.51 3.21 0.00 2.83 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 90 R 7.94 3.92 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 91 V 7.53 3.67 2.39 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 0.60 0.00 0.00 0.98 0.00 0.00 92 F 8.22 4.17 0.00 2.68 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 93 D 7.58 4.61 0.00 2.14 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 0.00 0.00 0.00 0.00 94 K 8.29 4.10 0.00 1.98 1.86 0.00 1.70 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 1.42 1.56 7.81 95 D 7.79 4.60 0.00 2.97 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 96 G 8.36 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 0.00 0.00 0.00 97 N 8.44 4.54 0.00 3.07 3.11 0.00 0.00 6.29 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.00 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 0.00 0.00 0.00 99 Y 7.59 5.17 0.00 3.03 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 0.00 100 I 8.96 4.71 2.04 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.83 0.97 0.00 0.00 101 S 9.23 4.84 0.00 3.91 4.01 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 0.00 102 A 8.89 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 0.00 103 A 8.00 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.83 4.15 0.00 2.37 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 0.00 2.42 2.40 0.00 105 L 8.17 4.15 0.00 1.73 1.94 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.11 4.06 0.00 1.93 2.28 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 107 H 8.39 4.22 0.00 3.42 3.35 0.00 5.85 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 0.00 108 V 8.11 3.37 1.67 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 0.30 0.00 0.00 0.75 0.00 0.00 *110 T 7.82 4.60 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 1.32 0.00 0.00 111 N 7.70 4.21 0.00 2.58 2.86 0.00 0.00 7.09 7.74 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 0.00 112 L 7.43 4.17 0.00 1.64 1.69 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.29 3.76 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 0.00 0.00 0.00 114 E 8.02 4.46 0.00 2.03 1.80 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 2.28 2.36 0.00 115 K 8.71 4.18 0.00 1.79 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.13 4.72 0.00 1.63 1.58 0.97 0.95 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 0.00 117 T 8.38 4.12 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 1.26 0.00 0.00 118 D 8.89 4.42 0.00 2.75 2.69 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 0.00 119 E 8.25 3.95 0.00 2.08 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 2.33 2.43 0.00 120 E 8.10 4.05 0.00 2.01 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 2.35 2.26 0.00 121 V 7.89 4.21 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 1.08 0.00 0.00 0.97 0.00 0.00 122 D 7.60 4.43 0.00 2.93 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 0.00 123 Q 7.97 4.34 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *125 I 7.76 4.12 1.90 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 1.48 1.40 0.97 0.00 0.00 126 R 7.79 3.85 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 127 E 8.04 4.06 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 2.31 2.25 0.00 128 A 7.44 4.45 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 0.00 129 D 7.87 4.83 0.00 2.85 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 0.00 130 I 8.99 4.27 1.88 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 1.35 0.91 0.91 0.00 0.00 131 D 8.40 4.46 0.00 2.80 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 0.00 132 G 8.51 3.90 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 0.00 133 D 8.28 4.64 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 0.00 134 G 8.96 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.58 4.80 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 136 V 8.38 4.89 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 0.87 0.00 0.00 1.14 0.00 0.00 137 N 9.55 5.12 0.00 2.65 3.03 0.00 0.00 6.20 7.12 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 0.00 138 Y 8.16 2.93 0.00 2.10 2.63 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 0.00 139 E 8.02 3.70 0.00 2.20 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 2.36 2.38 0.00 140 E 9.90 3.93 0.00 2.16 2.31 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 2.38 2.52 0.00 141 F 8.35 4.24 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.02 3.56 1.83 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 0.73 0.00 0.00 -0.10 0.00 0.00 143 Q 7.75 4.18 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 *146 T 7.48 4.05 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 1.18 0.00 0.00 147 A 7.71 3.81 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 0.00 148 K 8.58 4.12 0.00 1.69 1.66 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.