NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5054 8.3193 117.1238 57.7618 63.9731 173.0090 3 T 4.1231 8.1386 110.4620 60.9097 69.4050 172.0300 4 I 2.1023 7.5313 122.6562 59.5914 39.0952 175.0977 5 P 4.3082 0.0000 0.0000 62.3402 32.0729 176.6224 6 S 4.3655 8.4877 115.5142 60.3647 62.6916 173.9604 7 E 4.7714 7.7161 118.5815 54.1389 30.1788 175.9397 8 I 3.8173 8.6315 124.8296 63.8007 37.4301 175.9284 9 I 4.4444 7.3822 119.1722 59.1016 39.2229 175.7018 10 N 4.5361 8.5834 124.4821 52.2991 38.3964 175.4781 11 W 4.0967 8.4619 128.6191 59.5561 29.0234 178.2446 12 T 3.9656 7.8335 115.1125 66.5048 68.2053 176.4755 13 I 3.8704 7.6475 121.1672 64.4048 37.3986 178.1166 14 L 3.9017 7.8617 121.0555 58.0807 41.7438 178.5873 15 N 4.4404 8.7182 116.9897 56.3060 38.1643 177.1147 16 E 4.0140 7.9515 119.2761 59.3887 29.7389 179.1376 17 I 4.0683 7.7104 119.3734 64.5610 37.3608 178.3924 18 I 4.0407 8.1393 121.0354 64.2701 36.7291 178.3040 19 S 4.4384 8.2872 113.9706 60.6698 62.7764 175.2973 20 M 4.4149 7.9536 121.1431 54.7610 32.3707 175.4701 21 D 4.7468 8.0646 120.3278 54.2174 42.0880 175.7398 *26 D 4.6736 8.4421 118.2962 54.6936 42.8410 178.0239 27 F 4.2501 8.2916 120.4486 61.3846 39.3486 177.1172 28 S 3.5681 9.3041 114.2707 61.1113 62.7316 176.1963 29 K 3.3755 7.9278 123.0620 58.8464 31.8915 178.5602 30 G 3.6072 8.1637 106.2917 47.9230 0.0000 175.2785 31 L 3.8934 7.6966 122.8966 57.8046 41.8861 179.1925 32 I 3.7823 7.7429 120.0535 64.2404 36.9953 178.4521 33 I 3.6956 7.9617 121.2049 64.2873 36.9152 178.2188 34 Q 3.9218 8.4582 120.8960 59.0292 28.8817 177.9681 35 F 4.0063 8.3987 121.7948 61.4430 39.4441 177.0671 36 I 3.8502 8.0765 119.4780 64.5980 36.8400 178.2195 37 D 4.2806 8.0145 119.6134 57.3573 40.5782 178.5259 38 Q 3.8200 7.9860 119.8219 58.9927 28.9174 178.3270 39 A 2.9949 7.5124 122.0036 54.8228 18.2046 179.5816 40 Q 3.8054 7.5776 116.4825 59.3614 28.7527 179.2903 41 T 3.8013 7.9033 116.8178 66.9373 68.3846 176.9002 42 T 3.8295 7.7430 117.8867 66.6668 68.3858 176.9250 43 F 4.4498 8.1223 119.9336 60.3747 38.8092 177.7095 44 A 4.0223 8.0748 120.6751 55.2184 18.1969 179.6765 45 Q 3.9345 8.2403 116.6437 59.3336 28.7755 179.0308 46 M 4.0609 8.3914 119.9886 58.4026 32.0462 178.5099 47 Q 3.9601 8.3174 119.8682 59.1334 29.2537 178.2611 48 R 3.8841 8.1615 119.7218 59.6376 30.0469 178.4500 49 Q 3.9939 8.0851 117.6910 59.0937 28.4905 178.9604 50 L 4.0238 7.7219 118.8297 57.5647 41.7459 178.6439 51 D 4.7349 8.1466 117.1153 53.0823 41.3453 177.2516 52 G 3.8367 8.0421 104.1817 45.2972 0.0000 174.1127 53 E 3.9236 9.6758 123.4159 57.2512 30.2820 175.6071 54 K 3.7732 8.0990 116.7300 57.1779 30.3810 175.7222 55 N 4.5915 8.4761 117.9246 52.7255 39.3979 174.2019 56 L 4.0414 8.4048 129.3442 57.9850 41.7934 179.6088 57 T 3.8506 7.9819 115.8512 66.4429 68.3372 176.4798 58 E 3.9378 8.2423 120.8639 59.1207 29.7082 178.5558 59 L 3.9938 7.9930 119.1385 57.7402 41.6824 178.9024 60 D 4.3007 8.3507 118.1713 57.5415 41.1591 178.1723 61 N 4.3827 8.0932 116.8407 56.3726 38.6158 177.4857 62 L 4.1733 8.5011 121.0111 57.6490 41.6160 179.7186 63 G 3.6690 8.3864 105.9501 48.0280 0.0000 175.0626 64 H 4.1560 8.3845 120.6614 58.9843 29.7402 177.0928 65 F 4.2049 8.2786 122.3049 61.4319 39.2512 176.9312 66 L 3.6960 7.9651 119.6405 57.4193 41.7372 178.4928 67 K 3.9509 8.3488 120.3636 59.5507 31.9235 178.9061 68 G 3.4911 7.6170 105.5254 47.7615 0.0000 175.9730 69 S 4.1030 7.4609 117.2968 61.2797 62.4903 176.8553 70 S 3.5285 8.3159 116.9564 61.3774 62.7721 176.3215 71 A 3.9570 8.2643 124.7696 54.6627 17.8740 179.4864 72 A 3.9545 7.5265 118.3794 54.6300 18.5177 178.8924 73 L 4.2260 7.3736 114.9535 54.4168 42.2101 177.7364 74 G 3.7436 7.5918 107.4995 46.1429 0.0000 174.0325 75 L 4.5310 7.5556 123.8382 52.8412 39.1550 177.1268 76 Q 4.1926 7.8317 120.4784 58.2100 29.4317 178.5473 77 R 4.0591 7.8942 120.4092 59.2015 30.2032 178.4845 78 I 3.8917 7.9028 118.9649 64.4094 37.2189 178.0236 79 A 4.1175 8.0055 122.8431 54.2712 18.2182 179.4591 80 W 4.0618 8.2255 126.2776 60.7514 30.8116 178.2640 81 V 3.6319 8.3427 118.1655 66.3017 30.9735 177.5331 82 C 4.0572 8.4594 116.6446 63.0330 28.0272 175.8539 83 E 3.9184 8.1657 120.6518 59.1647 29.1318 179.1322 84 R 3.7142 7.5719 118.2291 59.0671 30.0131 178.8567 85 I 3.5741 7.7816 119.7715 64.5844 37.1297 178.4043 86 Q 3.9795 8.0406 118.6108 59.1647 28.4745 178.8132 87 N 4.3768 7.9923 117.3629 56.0827 38.5615 177.5341 88 L 4.1990 8.4537 121.1201 57.8719 41.5307 179.8721 89 G 3.5944 8.2672 104.7945 47.2571 0.0000 175.0020 90 R 4.1682 7.6638 117.5297 55.1265 30.5370 176.3405 91 K 3.1901 7.4684 117.1795 57.6690 29.7887 176.3410 92 M 4.4042 8.2645 118.7292 55.9132 32.8127 176.5483 93 E 4.9210 7.9054 116.9535 55.0675 33.5530 174.5021 94 H 4.9307 8.4919 115.8993 55.0971 29.2816 172.9754 95 F 5.0122 8.0652 116.2149 57.0336 42.9372 173.9959 96 F 4.8757 8.5750 123.5839 56.2701 42.2352 172.5882 97 P 4.4440 0.0000 0.0000 62.1813 31.9975 176.2465 98 N 4.7889 8.6454 119.1601 52.0920 39.6168 176.2695 99 K 4.4832 8.3988 122.0406 59.4315 32.1796 178.7507 100 T 3.8649 7.9472 115.5547 66.6414 68.2571 176.2379 101 E 3.9239 8.3322 119.2408 59.5640 29.7866 179.2179 102 L 4.0744 7.7418 118.3624 57.6622 41.7890 179.7563 103 V 3.7934 8.2136 112.2882 63.6844 31.3220 177.7197 104 N 4.5830 8.0707 115.3088 54.8446 38.4801 176.0837 105 T 4.2359 7.6253 111.0995 60.8607 69.5018 174.6054 106 L 4.2642 7.2435 123.2650 54.7992 42.1516 177.4218 107 S 4.1399 9.0504 118.6357 60.7405 63.0779 173.0304 108 D 4.7565 7.6982 119.7494 51.8011 41.9613 175.2037 109 K 4.1161 8.4515 128.1785 58.1363 32.8724 179.0315 110 S 4.3660 8.1526 112.9488 60.7672 62.8785 176.1036 111 I 3.6692 7.3207 120.5044 63.2252 37.7414 176.2288 112 I 4.1535 7.9125 119.8966 62.3658 37.6612 175.6248 113 N 4.3058 8.2213 120.0361 54.6440 38.6886 175.6471 114 G 3.9333 9.3561 110.4773 45.7382 0.0000 172.9131 115 I 4.5876 7.2648 110.9767 58.5790 40.8125 174.2114 116 N 4.6347 8.5891 121.3459 52.5231 38.9744 175.7627 117 I 3.9474 8.4123 119.4791 62.7827 38.1061 176.1265 118 D 4.7617 8.6063 121.0007 53.8640 41.4024 177.4494 119 E 3.8601 8.0165 121.4300 59.3221 29.5008 177.3968 120 D 4.8233 7.8867 114.7096 53.9757 41.1482 176.1520 121 D 4.7392 8.0888 120.4338 54.4871 41.2956 175.6579 122 E 4.7720 9.3787 122.2809 54.4076 32.9848 174.6535 123 E 4.7605 8.5085 118.0671 54.3818 32.6555 173.7953 124 I 4.6498 8.4496 113.4219 60.3124 40.5995 174.9837 125 K 4.4886 8.2652 126.0134 54.6964 34.0738 169.4058 *132 D 4.3818 7.8831 121.9433 53.0706 41.5536 175.2761 133 E 3.9671 8.9896 127.5392 59.8400 29.5419 178.4916 134 N 4.6330 8.8608 116.1544 55.9746 38.3932 177.4727 135 S 4.1097 7.8389 117.2289 61.6282 63.0440 176.3677 136 I 3.5118 7.2444 121.5275 64.8668 36.7627 178.1102 137 Y 4.0440 7.5777 116.6015 60.8480 37.8014 178.0316 138 L 3.9995 8.2236 120.0937 57.9460 41.7681 179.6622 139 I 3.7004 8.0779 120.0430 64.3664 36.9362 178.5712 140 L 4.0349 7.7202 119.4115 57.7745 41.3819 179.5839 141 I 3.5002 8.0209 119.7907 64.0839 36.9840 178.2877 142 A 3.9182 8.1072 121.7593 54.9846 18.2274 179.5185 143 K 3.8459 8.0639 117.8670 59.7178 32.2732 178.9178 144 A 3.3376 7.6819 121.1176 54.5460 18.0525 179.3512 145 L 3.7065 8.0863 119.3916 58.2329 42.2088 178.8505 146 N 4.2204 8.0456 116.4207 56.3650 38.4103 177.0036 147 Q 4.0544 8.0426 120.7193 59.5435 29.1323 178.5365 148 S 4.2160 8.5099 116.3183 61.6947 62.7090 177.0158 149 R 3.6975 7.7157 120.6777 58.9845 29.7433 178.8441 150 L 3.9802 7.7715 119.5583 58.3626 42.1660 178.8573 151 E 4.0965 8.6162 118.8668 59.3027 29.2626 179.2254 152 F 4.5256 8.7224 120.9889 61.2331 39.4995 177.0594 153 K 3.7539 8.4008 119.3586 59.5470 32.0416 178.6150 154 L 3.9696 8.3716 119.3819 57.7570 41.4786 179.3207 155 A 4.0143 8.1799 120.5926 55.3416 18.2520 179.8596 156 R 3.8281 8.1301 116.7014 59.3384 30.1091 179.2555 157 I 3.7105 7.8826 119.5674 64.5232 37.1876 178.3295 158 E 4.0759 8.2986 119.1334 59.5653 29.2767 179.4829 159 L 4.2669 8.4036 119.3884 57.9660 41.6835 179.7558 160 S 4.8908 8.8476 117.0939 60.9884 62.4855 176.8414 161 K 4.0291 8.2925 121.5589 60.2800 32.0427 178.6241 162 Y 3.9520 8.1518 119.8006 60.0372 38.8324 176.4977 163 Y 4.3944 8.2976 114.7166 56.6834 38.5384 174.9486 164 N 4.2375 7.7686 116.0672 53.6563 37.3081 174.0326 165 T 4.3889 7.7407 108.3193 60.9385 70.8744 172.0227 166 N 4.4919 8.8447 125.5685 53.6052 38.4522 175.2194 167 L 4.3010 9.0860 123.5559 54.7420 41.9187 176.6826 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 S 8.32 4.51 0.00 3.65 3.73 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 0.00 0.00 0.00 3 T 8.14 4.12 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 1.13 0.00 0.00 4 I 7.53 2.10 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.18 0.41 0.00 0.00 5 P 0.00 4.31 0.00 2.01 1.91 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 6 S 8.49 4.37 0.00 3.79 3.81 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 7 E 7.72 4.77 0.00 1.98 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 2.30 2.28 0.00 8 I 8.63 3.82 1.88 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 1.43 1.03 0.91 0.00 0.00 9 I 7.38 4.44 1.38 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 -0.74 0.00 0.00 10 N 8.58 4.54 0.00 2.84 2.61 0.00 0.00 6.82 8.44 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 11 W 8.46 4.10 0.00 3.43 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.97 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 1.23 0.00 0.00 13 I 7.65 3.87 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 0.89 0.00 0.00 14 L 7.86 3.90 0.00 1.54 1.27 0.81 -0.16 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 15 N 8.72 4.44 0.00 2.94 2.94 0.00 0.00 6.94 7.20 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 16 E 7.95 4.01 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 17 I 7.71 4.07 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.70 0.98 0.00 0.00 18 I 8.14 4.04 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.77 1.08 0.00 0.00 19 S 8.29 4.44 0.00 4.06 4.18 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 20 M 7.95 4.41 0.00 1.79 2.42 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 21 D 8.06 4.75 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.67 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 27 F 8.29 4.25 0.00 3.20 3.38 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 28 S 9.30 3.57 0.00 4.13 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 0.00 29 K 7.93 3.38 0.00 1.54 1.68 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 0.92 7.81 30 G 8.16 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 0.00 0.00 0.00 31 L 7.70 3.89 0.00 1.32 1.52 0.93 0.86 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 32 I 7.74 3.78 1.81 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 1.61 0.74 0.92 0.00 0.00 33 I 7.96 3.70 1.97 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 1.37 0.58 0.89 0.00 0.00 34 Q 8.46 3.92 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 35 F 8.40 4.01 0.00 3.18 3.29 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 36 I 8.08 3.85 2.14 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.91 1.02 0.00 0.00 37 D 8.01 4.28 0.00 2.83 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 38 Q 7.99 3.82 0.00 2.13 1.94 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 2.26 2.53 0.00 39 A 7.51 2.99 -0.10 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 0.00 0.00 40 Q 7.58 3.81 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 41 T 7.90 3.80 4.31 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 1.15 0.00 0.00 42 T 7.74 3.83 3.93 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 1.23 0.00 0.00 43 F 8.12 4.45 0.00 2.89 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 44 A 8.07 4.02 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 45 Q 8.24 3.93 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 46 M 8.39 4.06 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 47 Q 8.32 3.96 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 48 R 8.16 3.88 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 Q 8.09 3.99 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 50 L 7.72 4.02 0.00 1.77 1.72 0.89 0.86 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 51 D 8.15 4.73 0.00 2.66 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 52 G 8.04 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 0.00 0.00 0.00 53 E 9.68 3.92 0.00 1.92 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 54 K 8.10 3.77 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 55 N 8.48 4.59 0.00 2.73 2.82 0.00 0.00 7.28 6.39 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 56 L 8.40 4.04 0.00 1.67 1.82 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.98 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 58 E 8.24 3.94 0.00 2.05 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 2.34 2.43 0.00 59 L 7.99 3.99 0.00 1.88 1.69 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.35 4.30 0.00 2.75 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 61 N 8.09 4.38 0.00 2.97 2.83 0.00 0.00 7.09 6.53 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 62 L 8.50 4.17 0.00 1.81 1.75 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.39 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 0.00 0.00 0.00 64 H 8.38 4.16 0.00 3.49 3.61 0.00 5.79 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 65 F 8.28 4.20 0.00 3.24 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 66 L 7.97 3.70 0.00 1.79 1.64 0.61 0.48 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 67 K 8.35 3.95 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 68 G 7.62 3.49 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 69 S 7.46 4.10 0.00 3.89 4.18 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 70 S 8.32 3.53 0.00 4.19 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 71 A 8.26 3.96 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 72 A 7.53 3.95 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 73 L 7.37 4.23 0.00 1.15 1.41 0.59 1.24 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 74 G 7.59 3.74 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 0.00 0.00 0.00 75 L 7.56 4.53 0.00 1.48 1.54 0.36 0.61 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 76 Q 7.83 4.19 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 77 R 7.89 4.06 0.00 1.93 2.16 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 78 I 7.90 3.89 2.17 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.85 1.19 0.00 0.00 79 A 8.01 4.12 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 80 W 8.23 4.06 0.00 3.59 3.49 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 81 V 8.34 3.63 2.29 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 1.19 0.00 0.00 1.49 0.00 0.00 82 C 8.46 4.06 0.00 3.22 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 83 E 8.17 3.92 0.00 1.99 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 2.16 2.27 0.00 84 R 7.57 3.71 0.00 1.86 1.91 0.00 2.21 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.63 0.00 85 I 7.78 3.57 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.87 0.00 0.00 86 Q 8.04 3.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 87 N 7.99 4.38 0.00 2.91 2.85 0.00 0.00 7.05 6.74 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 88 L 8.45 4.20 0.00 1.80 1.79 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.27 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 90 R 7.66 4.17 0.00 1.88 1.91 0.00 3.28 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 91 K 7.47 3.19 0.00 1.59 1.33 0.00 1.40 0.00 0.00 1.25 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.85 7.81 92 M 8.26 4.40 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 93 E 7.91 4.92 0.00 1.96 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 2.26 2.31 0.00 94 H 8.49 4.93 0.00 2.73 3.22 0.00 5.47 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 95 F 8.07 5.01 0.00 3.04 2.94 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 0.00 0.00 0.00 96 F 8.57 4.88 0.00 2.99 2.99 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 97 P 0.00 4.44 0.00 1.83 1.95 0.00 2.34 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 98 N 8.65 4.79 0.00 3.05 3.00 0.00 0.00 6.91 6.55 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 99 K 8.40 4.48 0.00 1.90 1.88 0.00 1.95 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.64 7.81 100 T 7.95 3.86 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 1.21 0.00 0.00 101 E 8.33 3.92 0.00 2.07 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 2.32 2.43 0.00 102 L 7.74 4.07 0.00 1.73 1.69 0.73 1.03 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 0.00 103 V 8.21 3.79 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 0.88 0.00 0.00 0.98 0.00 0.00 104 N 8.07 4.58 0.00 2.89 2.84 0.00 0.00 6.95 7.06 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 0.00 105 T 7.63 4.24 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 1.13 0.00 0.00 106 L 7.24 4.26 0.00 1.74 1.65 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.05 4.14 0.00 3.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.70 4.76 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.45 4.12 0.00 1.82 1.78 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.42 7.81 110 S 8.15 4.37 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.32 3.67 1.90 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 1.32 0.84 0.99 0.00 0.00 112 I 7.91 4.15 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.92 0.00 0.00 113 N 8.22 4.31 0.00 2.77 2.75 0.00 0.00 6.81 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 9.36 3.93 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 0.00 0.00 0.00 115 I 7.26 4.59 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.92 0.00 0.00 116 N 8.59 4.63 0.00 2.83 2.75 0.00 0.00 6.83 7.97 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 0.00 117 I 8.41 3.95 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.93 0.00 0.00 118 D 8.61 4.76 0.00 2.86 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 0.00 119 E 8.02 3.86 0.00 2.05 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 2.35 2.33 0.00 120 D 7.89 4.82 0.00 2.72 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 0.00 121 D 8.09 4.74 0.00 2.73 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 0.00 122 E 9.38 4.77 0.00 1.93 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 2.22 2.34 0.00 123 E 8.51 4.76 0.00 2.02 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 2.15 2.24 0.00 124 I 8.45 4.65 1.86 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 1.26 0.72 1.03 0.00 0.00 125 K 8.27 4.49 0.00 1.85 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.12 0.74 7.81 *132 D 7.88 4.38 0.00 2.69 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 0.00 133 E 8.99 3.97 0.00 2.11 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 2.53 2.48 0.00 134 N 8.86 4.63 0.00 3.04 2.91 0.00 0.00 7.05 8.31 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 0.00 135 S 7.84 4.11 0.00 3.88 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 0.00 136 I 7.24 3.51 1.17 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.48 0.00 0.00 137 Y 7.58 4.04 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 0.00 138 L 8.22 4.00 0.00 1.84 1.72 0.96 0.73 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 0.00 139 I 8.08 3.70 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.89 0.00 0.00 140 L 7.72 4.03 0.00 1.84 1.72 0.83 0.71 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 0.00 141 I 8.02 3.50 1.97 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 1.39 0.74 0.85 0.00 0.00 142 A 8.11 3.92 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 0.00 143 K 8.06 3.85 0.00 1.88 2.04 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.58 7.81 144 A 7.68 3.34 0.28 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 0.00 145 L 8.09 3.71 0.00 1.72 1.75 0.73 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.05 4.22 0.00 2.96 3.01 0.00 0.00 6.68 7.17 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 0.00 147 Q 8.04 4.05 0.00 2.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 148 S 8.51 4.22 0.00 3.59 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 0.00 149 R 7.72 3.70 0.00 1.94 1.95 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 150 L 7.77 3.98 0.00 1.81 1.91 0.95 1.08 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 0.00 151 E 8.62 4.10 0.00 2.31 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 2.66 2.64 0.00 152 F 8.72 4.53 0.00 3.44 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 0.00 153 K 8.40 3.75 0.00 1.98 1.96 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 154 L 8.37 3.97 0.00 1.87 1.74 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.18 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.13 3.83 0.00 1.86 1.99 0.00 2.21 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 157 I 7.88 3.71 2.06 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 1.53 1.03 0.94 0.00 0.00 158 E 8.30 4.08 0.00 2.05 2.15 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 2.53 2.55 0.00 159 L 8.40 4.27 0.00 1.80 1.95 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.85 4.89 0.00 4.13 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 0.00 161 K 8.29 4.03 0.00 2.04 2.13 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.60 7.81 162 Y 8.15 3.95 0.00 3.15 3.23 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 0.00 163 Y 8.30 4.39 0.00 3.17 2.98 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 0.00 164 N 7.77 4.24 0.00 2.84 2.87 0.00 0.00 6.65 7.22 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 0.00 165 T 7.74 4.39 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 1.29 0.00 0.00 166 N 8.84 4.49 0.00 2.74 2.79 0.00 0.00 6.87 7.85 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 0.00 167 L 9.09 4.30 0.00 1.58 1.53 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.