NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 N 4.8426 8.4249 118.1384 52.9574 39.5524 173.2974 48 Q 4.6222 7.5377 116.5779 54.1693 33.5943 173.4812 49 N 4.6999 9.8148 118.5656 53.3637 41.1245 173.8952 50 W 5.0116 8.3312 120.4168 55.3002 31.2717 175.0070 51 R 5.3582 9.0074 123.7193 54.2403 33.9787 174.6772 52 L 5.5457 9.5607 122.5496 53.4113 46.0973 174.8901 53 L 4.7345 8.9448 126.5382 53.2278 45.0617 175.0903 54 R 4.3754 8.5090 125.4399 55.2464 31.4968 175.9635 55 D 4.7274 8.9978 125.4671 52.1711 41.0500 176.3844 56 E 4.0076 8.6753 124.5818 58.2425 29.8772 178.5185 57 S 4.1924 8.1455 111.7162 58.1873 63.7914 174.8218 58 A 3.8124 7.9328 121.5611 52.8526 16.5602 177.9664 59 Q 4.2791 7.8373 116.0223 57.5522 29.4501 176.7588 60 L 3.9862 7.8351 118.0133 55.6128 42.1013 177.5612 61 R 4.7340 9.3285 122.2593 54.0279 33.8893 177.1507 62 I 2.9448 8.0931 118.9264 64.2311 37.3915 177.3499 63 A 3.8100 7.6994 119.6453 55.3651 18.4339 178.8830 64 D 4.2837 7.7446 116.6198 57.5531 41.0085 179.1310 65 V 3.2906 7.5111 118.7824 65.5756 31.0777 178.0165 66 L 3.8325 7.3258 118.0101 57.1315 41.4131 178.3756 67 Q 4.4061 7.4565 115.7217 55.8896 29.0005 176.0715 68 R 4.6874 7.6849 119.1366 55.6823 31.1446 177.6901 69 K 4.1246 8.3435 121.0217 59.5042 32.0943 178.2748 70 E 4.3878 8.1557 113.8633 57.1103 29.9216 177.0209 71 Q 4.2767 8.1118 118.5208 57.1810 29.5372 176.1300 72 F 4.3952 8.1346 119.2038 58.2275 39.3407 175.8311 73 R 4.9643 9.1977 124.2772 54.1716 32.6403 171.0801 74 P 4.9143 0.0000 0.0000 63.1758 32.5443 175.2432 75 L 4.9480 8.3343 119.9955 53.2078 43.0815 177.1085 76 A 4.2987 8.9106 125.8462 54.0518 19.1113 177.3229 77 K 4.6122 7.5530 112.3959 55.9171 35.9996 176.0288 78 R 4.3081 8.0848 118.9207 54.7711 29.3797 174.8739 79 S 3.9565 6.9453 111.0173 57.7721 66.1488 174.4865 80 F 4.6509 7.4483 113.8703 56.3818 40.7541 173.5289 81 I 4.6422 7.4244 118.9343 59.9874 40.6864 173.6661 82 F 5.2215 9.1608 126.9616 54.8363 43.4420 172.6043 83 P 4.5410 0.0000 0.0000 62.4978 32.0309 176.1481 84 A 4.3018 8.8849 124.6334 52.4059 18.6427 176.8084 85 S 4.5333 8.3717 115.5818 57.1608 65.6944 173.2099 86 P 4.7100 0.0000 0.0000 62.6458 31.1982 175.9521 87 Q 4.3367 7.7808 116.8532 56.8664 29.4115 175.2128 88 A 4.6714 8.5971 122.0571 50.3105 21.8067 175.9184 89 V 4.6628 8.0990 121.1037 60.7585 34.6264 174.1849 90 W 5.4212 9.1991 127.1539 54.9082 32.3373 173.9498 91 L 5.2163 9.3764 127.4072 53.4767 44.0842 174.6081 92 Q 4.5591 9.4105 127.3387 54.0419 31.8510 174.0033 93 V 4.2311 8.4020 126.6561 61.0978 33.8775 174.1050 94 Q 4.5179 8.1396 128.1916 54.6143 29.4617 175.5040 95 L 4.8625 8.1095 123.7523 51.8616 45.2083 174.8977 96 P 4.4148 0.0000 0.0000 61.7065 32.2923 175.6981 97 A 4.7142 8.2083 120.6286 52.1609 18.6364 177.0592 98 Q 4.5467 8.3597 120.4182 54.7302 30.3933 176.0740 99 K 4.2953 8.5185 119.9589 57.5689 33.1379 177.1354 100 V 4.5611 7.2477 109.1864 58.2043 35.5190 173.3297 101 P 4.0834 0.0000 0.0000 63.1720 31.6470 176.0194 102 S 4.9344 7.6994 115.5278 56.6861 67.2427 172.4599 103 W 5.4700 9.8050 119.4288 54.7908 33.4622 174.3930 104 L 5.1594 9.3715 125.7824 54.4996 43.1634 175.0533 105 W 5.4937 9.7831 135.0000 55.8454 33.3743 174.3827 106 I 4.8917 8.5607 126.9506 59.3635 41.1318 173.8678 107 F 4.8018 8.8347 128.8728 56.3060 41.4810 174.4550 108 A 5.1451 8.0717 128.5936 49.6816 19.6575 172.7611 109 P 4.0602 0.0000 0.0000 63.2743 32.3934 177.8404 110 R 3.9608 8.9498 118.5268 56.6688 28.6261 176.6313 111 V 3.7101 7.3853 119.5218 63.3723 31.8915 176.6183 112 Q 4.0358 8.5565 126.5110 57.8257 29.6813 176.0387 113 Y 4.8933 7.7626 115.3939 56.0335 41.4508 174.7823 114 L 4.8143 8.7554 126.5641 53.3416 44.7647 174.5600 115 D 5.2442 9.2397 126.8079 52.5510 43.9133 174.4651 116 Y 4.9189 8.4137 124.6637 55.8881 41.5748 173.9438 117 Y 4.8954 8.3061 122.9937 56.0280 42.9415 173.7285 118 L 4.9377 8.5150 125.1373 53.2278 44.6704 174.9620 119 V 4.8819 8.7771 126.8409 61.3362 33.3667 175.1091 120 Q 4.4254 9.2635 125.3629 55.1338 33.1377 173.2154 121 D 4.5186 8.7898 123.3297 54.2291 40.8046 176.8444 122 G 3.9675 8.9390 113.5054 44.9762 0.0000 171.7549 123 Q 4.5929 7.3564 115.9656 53.8110 31.2943 174.4108 124 L 4.7335 8.3268 121.3630 54.4796 42.5665 176.1490 125 V 4.1900 8.7034 126.5331 63.2117 32.8715 176.7108 126 R 4.9753 7.8961 119.5262 53.7731 34.0530 174.3235 127 D 5.1233 8.6263 120.8967 51.9837 42.3055 174.5408 128 Q 4.6531 8.9275 120.9291 54.2749 33.3275 174.1875 129 H 5.2267 8.7785 118.3395 54.4488 31.6675 171.8537 130 T 4.3908 9.2054 124.5176 63.0543 71.1790 173.9176 131 G 4.6792 9.3982 105.2904 44.4101 0.0000 173.6960 132 E 3.9170 8.2917 118.6493 57.0386 28.8970 176.6097 133 S 3.4753 7.0683 117.0236 59.1565 63.0637 169.8647 *140 P 4.2104 0.0000 0.0000 61.9195 32.5570 179.9989 141 L 4.6450 7.4628 120.3619 53.0496 44.1763 175.5015 142 P 4.5636 0.0000 0.0000 62.4759 31.7071 175.8300 143 S 4.8113 7.2375 112.9114 57.3282 65.1303 173.9143 144 R 4.4437 8.1675 117.8151 55.9028 32.7317 174.6788 145 S 5.1446 7.8579 114.6923 57.3862 65.4470 173.1849 146 Y 4.4390 8.7448 119.2609 56.2370 41.6802 174.3094 147 L 5.3019 8.3408 123.3886 52.9006 44.7672 175.7984 148 F 4.8894 9.0419 121.5702 55.3521 41.8667 174.9458 149 S 4.3613 9.0574 119.0438 58.2420 63.9144 173.3631 150 L 4.8868 7.9923 122.7406 52.2127 43.3332 174.8589 151 P 4.2275 0.0000 0.0000 62.5175 32.1033 176.4142 152 V 4.1045 8.0999 121.4837 61.7715 30.8004 174.6344 153 D 4.6550 8.0563 124.4449 52.7306 40.3559 175.8968 154 G 3.9673 8.4903 105.1894 46.6471 0.0000 173.9150 155 K 4.6443 7.6482 117.6570 53.1761 35.6883 175.6086 156 P 4.6085 0.0000 0.0000 62.6822 32.6590 174.9346 *158 T 4.0918 8.1909 112.9718 63.9223 70.1403 173.0529 159 L 4.9690 8.3704 126.0570 53.3161 44.2915 175.0718 160 Y 5.3132 9.0529 120.5168 56.2202 41.7076 174.6880 161 V 4.8688 9.3091 123.6594 61.3045 34.8771 174.9280 162 R 4.5891 8.8336 128.5547 54.0189 32.9642 174.4768 *164 T 4.4291 8.0996 115.6434 63.8702 70.0452 173.5488 165 S 4.7326 8.2805 115.9621 57.7487 64.9770 174.6485 166 N 4.6098 8.7403 121.7483 53.6210 37.3879 173.7194 167 H 5.0372 8.3268 116.8198 52.9044 33.0086 171.2868 168 P 4.7452 0.0000 0.0000 63.6460 31.5220 176.8835 169 L 4.4235 8.6176 124.4489 54.4145 43.4299 175.9745 *171 A 4.5178 8.3368 121.9044 51.6545 20.3622 175.5537 172 W 4.6969 9.1150 119.6398 54.7711 32.8540 174.7440 173 F 6.0127 7.5195 116.5533 55.9271 40.7253 173.1861 174 D 4.7084 9.1688 118.1762 53.4582 45.8782 173.6585 175 Q 5.3847 9.2377 122.3988 55.2091 30.9085 174.3427 176 I 5.3313 9.1472 119.6925 59.3628 41.4338 174.1620 177 D 5.5071 9.3590 123.1368 51.9093 42.6725 175.8643 178 E 4.1210 9.3905 116.4473 58.9062 29.4675 177.6769 179 A 4.4920 7.9498 119.7335 51.2193 20.3390 176.3697 180 G 3.9093 8.2301 102.4871 43.6174 0.0000 174.1929 181 L 4.2327 8.7718 122.8877 54.7738 41.9547 176.4933 182 V 3.8232 8.4461 124.6458 65.1094 31.4680 175.1723 183 G 3.8891 10.1804 118.2350 45.0228 0.0000 173.9167 184 L 4.0236 8.2181 124.9135 54.7632 41.4636 179.4150 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 47 N 8.42 4.84 0.00 2.78 2.93 0.00 0.00 6.71 6.81 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 48 Q 7.54 4.62 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 7.28 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 49 N 9.81 4.70 0.00 2.12 2.80 0.00 0.00 6.83 7.68 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 50 W 8.33 5.01 0.00 3.41 3.32 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 51 R 9.01 5.36 0.00 1.90 2.01 0.00 3.31 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 52 L 9.56 5.55 0.00 1.87 1.57 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.94 4.73 0.00 0.27 0.65 0.61 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.51 4.38 0.00 1.54 1.70 0.00 2.98 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.46 0.00 55 D 9.00 4.73 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 56 E 8.68 4.01 0.00 1.93 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 2.18 2.19 0.00 57 S 8.15 4.19 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.93 3.81 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 59 Q 7.84 4.28 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 60 L 7.84 3.99 0.00 1.82 1.43 0.73 0.82 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 61 R 9.33 4.73 0.00 1.78 1.82 0.00 3.13 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 62 I 8.09 2.94 0.68 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.70 0.63 0.00 0.00 63 A 7.70 3.81 1.19 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 0.00 0.00 64 D 7.74 4.28 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 65 V 7.51 3.29 1.07 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 0.20 0.00 0.00 -0.29 0.00 0.00 66 L 7.33 3.83 0.00 1.60 1.55 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.46 4.41 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.36 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 68 R 7.68 4.69 0.00 1.83 1.76 0.00 3.11 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 69 K 8.34 4.12 0.00 1.82 1.86 0.00 1.62 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.57 7.81 70 E 8.16 4.39 0.00 2.10 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 2.28 2.28 0.00 71 Q 8.11 4.28 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 F 8.13 4.40 0.00 3.08 3.07 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 73 R 9.20 4.96 0.00 1.42 1.76 0.00 3.27 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 74 P 0.00 4.91 0.00 2.16 2.17 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 2.06 2.06 0.00 75 L 8.33 4.95 0.00 2.01 2.03 1.36 0.81 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 76 A 8.91 4.30 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 K 7.55 4.61 0.00 1.78 1.73 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.37 7.81 78 R 8.08 4.31 0.00 1.58 1.58 0.00 2.58 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.25 0.00 79 S 6.95 3.96 0.00 2.72 3.09 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 80 F 7.45 4.65 0.00 2.53 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 81 I 7.42 4.64 1.61 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 1.27 0.50 0.72 0.00 0.00 82 F 9.16 5.22 0.00 3.07 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 83 P 0.00 4.54 0.00 2.00 2.05 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 84 A 8.88 4.30 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 85 S 8.37 4.53 0.00 3.82 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 86 P 0.00 4.71 0.00 2.19 2.17 0.00 3.75 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 1.93 1.93 0.00 87 Q 7.78 4.34 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 88 A 8.60 4.67 1.19 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 0.00 0.00 89 V 8.10 4.66 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 0.54 0.00 0.00 0.64 0.00 0.00 90 W 9.20 5.42 0.00 3.37 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 91 L 9.38 5.22 0.00 1.81 1.59 0.81 -0.11 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 92 Q 9.41 4.56 0.00 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 1.67 1.18 0.00 93 V 8.40 4.23 1.68 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 -0.35 0.00 0.00 0.71 0.00 0.00 94 Q 8.14 4.52 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.39 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 95 L 8.11 4.86 0.00 1.38 1.45 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.41 0.00 2.16 2.06 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 97 A 8.21 4.71 1.24 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 0.00 0.00 0.00 98 Q 8.36 4.55 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 99 K 8.52 4.30 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 100 V 7.25 4.56 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 0.76 0.00 0.00 0.96 0.00 0.00 101 P 0.00 4.08 0.00 1.94 1.75 0.00 3.63 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 2.16 2.03 0.00 102 S 7.70 4.93 0.00 4.05 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 0.00 103 W 9.80 5.47 0.00 3.32 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 0.00 104 L 9.37 5.16 0.00 2.07 1.96 1.50 1.08 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 0.00 105 W 9.78 5.49 0.00 3.54 3.39 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 0.00 106 I 8.56 4.89 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 1.00 0.00 0.00 107 F 8.83 4.80 0.00 2.41 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 5.15 1.21 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 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.06 0.00 2.16 1.90 0.00 3.91 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 2.07 2.13 0.00 110 R 8.95 3.96 0.00 2.01 2.07 0.00 3.08 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 111 V 7.39 3.71 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 1.00 0.00 0.00 0.98 0.00 0.00 112 Q 8.56 4.04 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.39 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 113 Y 7.76 4.89 0.00 2.80 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 0.00 114 L 8.76 4.81 0.00 1.47 1.24 0.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 115 D 9.24 5.24 0.00 2.51 2.38 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 0.00 116 Y 8.41 4.92 0.00 2.32 2.37 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 0.00 117 Y 8.31 4.90 0.00 2.86 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 0.00 118 L 8.51 4.94 0.00 1.50 1.41 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.78 4.88 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 0.87 0.00 0.00 0.96 0.00 0.00 120 Q 9.26 4.43 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 121 D 8.79 4.52 0.00 2.63 2.61 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 0.00 122 G 8.94 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 0.00 123 Q 7.36 4.59 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 124 L 8.33 4.73 0.00 1.59 1.63 1.18 1.01 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 0.00 125 V 8.70 4.19 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 0.83 0.00 0.00 0.96 0.00 0.00 126 R 7.90 4.98 0.00 1.86 1.95 0.00 3.24 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 127 D 8.63 5.12 0.00 2.49 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 0.00 128 Q 8.93 4.65 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 129 H 8.78 5.23 0.00 3.04 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 9.21 4.39 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 1.42 0.00 0.00 131 G 9.40 4.68 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 0.00 0.00 0.00 132 E 8.29 3.92 0.00 2.00 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 2.36 2.44 0.00 133 S 7.07 3.48 0.00 4.00 3.82 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 *140 P 0.00 4.21 0.00 2.16 1.93 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 141 L 7.46 4.65 0.00 1.58 1.54 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.56 0.00 2.15 2.12 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 143 S 7.24 4.81 0.00 3.96 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 0.00 144 R 8.17 4.44 0.00 1.52 1.37 0.00 3.13 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 145 S 7.86 5.14 0.00 3.72 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 0.00 146 Y 8.74 4.44 0.00 2.80 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 0.00 0.00 0.00 0.00 147 L 8.34 5.30 0.00 1.42 1.67 1.10 0.44 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 0.00 148 F 9.04 4.89 0.00 2.76 2.41 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 0.00 149 S 9.06 4.36 0.00 3.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.99 4.89 0.00 1.53 1.60 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.23 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 152 V 8.10 4.10 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 0.94 0.00 0.00 0.86 0.00 0.00 153 D 8.06 4.66 0.00 2.75 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 0.00 154 G 8.49 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 0.00 155 K 7.65 4.64 0.00 1.92 1.64 0.00 1.67 0.00 0.00 2.02 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 156 P 0.00 4.61 0.00 2.13 2.07 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 *158 T 8.19 4.09 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 0.61 0.00 0.00 159 L 8.37 4.97 0.00 1.44 1.51 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 9.05 5.31 0.00 3.11 3.27 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 0.00 161 V 9.31 4.87 2.16 0.00 0.00 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 1.02 0.00 0.00 162 R 8.83 4.59 0.00 0.67 1.17 0.00 2.99 0.00 0.00 2.69 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 *164 T 8.10 4.43 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 1.39 0.00 0.00 165 S 8.28 4.73 0.00 3.82 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 0.00 166 N 8.74 4.61 0.00 2.78 2.87 0.00 0.00 5.89 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 0.00 167 H 8.33 5.04 0.00 3.13 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.75 0.00 1.99 2.16 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 2.09 2.20 0.00 169 L 8.62 4.42 0.00 1.82 2.00 1.01 0.73 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 *171 A 8.34 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 W 9.11 4.70 0.00 3.13 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 0.00 173 F 7.52 6.01 0.00 3.23 3.14 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 0.00 0.00 0.00 174 D 9.17 4.71 0.00 2.93 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 0.00 175 Q 9.24 5.38 0.00 2.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 176 I 9.15 5.33 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.90 0.00 0.00 177 D 9.36 5.51 0.00 2.99 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 0.00 178 E 9.39 4.12 0.00 2.10 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 2.58 2.71 0.00 179 A 7.95 4.49 1.30 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 0.00 0.00 180 G 8.23 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 0.00 181 L 8.77 4.23 0.00 1.72 1.67 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.45 3.82 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 0.87 0.00 0.00 1.06 0.00 0.00 183 G 10.18 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 0.00 184 L 8.22 4.02 0.00 1.83 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.