NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4212 8.2893 120.3492 55.2879 33.4926 175.7026 4 S 4.2873 8.3440 121.5090 57.6572 65.5161 173.6214 5 D 4.3998 9.3725 124.4221 57.3846 40.9927 180.3754 6 L 3.9855 7.8153 119.1594 57.7274 41.7219 179.3415 7 V 3.6613 8.3222 118.4233 66.3799 31.2373 177.8744 8 T 3.8721 7.5774 113.8809 66.6525 68.7175 175.7763 9 K 3.9929 8.4054 121.6008 59.6756 32.1575 177.9984 10 F 4.2165 8.5934 121.0062 61.8459 39.0678 177.1634 11 E 3.7940 8.2872 116.2307 58.7067 29.2975 178.8459 12 S 4.3480 7.6719 112.7984 58.6942 63.4296 174.0207 13 L 4.2063 8.0938 124.5977 55.4225 42.1777 179.3656 14 I 3.1900 7.4825 124.5232 64.1023 38.2369 176.3658 15 I 3.7386 6.9177 121.1332 61.7332 35.2092 175.4045 *18 Y 3.4954 7.4724 118.0531 55.1076 38.3649 174.8735 19 P 4.5701 0.0000 0.0000 61.3883 32.0532 177.7800 20 V 3.7903 8.2059 118.2061 63.9830 31.5470 177.1236 21 S 4.3942 7.9893 113.4735 58.5392 63.4854 173.9161 22 F 4.3684 8.2153 125.3083 58.8121 39.4980 175.4676 23 T 4.3151 8.8051 119.4989 60.7024 71.2299 175.9575 24 K 3.9430 8.3239 120.4914 59.3103 31.9969 179.1560 25 E 3.8532 8.0111 119.2145 59.4864 29.5187 178.8499 26 Q 3.8011 7.7228 117.9550 58.7090 28.6125 178.5753 27 S 4.2835 7.7796 113.9307 61.4552 62.4071 176.0444 28 A 4.0136 8.2468 123.7115 55.4257 18.1067 179.6979 29 Q 4.0623 8.3292 116.3236 58.8199 28.6799 178.6105 30 A 4.2046 8.5635 122.1045 55.3812 18.4998 179.5412 31 A 3.9966 8.2211 119.1525 55.3789 18.4266 179.8877 32 Q 3.8241 8.3002 116.6761 59.0040 28.7738 179.1530 33 W 4.2021 8.4163 122.3909 60.1106 28.9928 179.0829 34 E 4.1121 8.7306 118.9144 61.2410 29.1024 182.0387 35 S 4.2698 8.2504 114.2366 61.0390 62.3648 176.1583 36 V 3.4937 7.7111 120.9887 66.1104 31.1949 177.9846 37 L 4.0384 7.9965 118.2954 57.9912 41.3386 179.7726 38 K 4.0562 8.2840 117.5096 59.0215 32.0609 178.6471 39 S 4.5365 8.1736 112.0273 57.7701 63.4452 174.4751 40 G 3.9206 7.8766 110.3687 47.2062 0.0000 174.1013 41 Q 4.6834 8.1897 116.6134 55.1899 29.5189 177.1592 42 I 3.9430 8.0212 121.1994 64.3302 38.6451 177.7378 43 Q 3.9593 8.3124 121.0928 58.6604 28.9388 175.8778 44 P 4.5276 0.0000 0.0000 64.5579 31.6257 176.6290 45 H 4.7814 8.1977 116.3653 55.8950 28.9357 176.3761 46 L 4.0596 7.9135 122.7133 58.0576 41.4468 179.0954 47 D 4.4785 8.2116 118.3505 57.3453 40.7664 178.3595 48 Q 4.0398 8.1765 119.6602 59.1719 29.1683 177.9501 49 L 3.9443 8.4381 121.4924 58.1370 42.0764 178.3834 50 N 4.3270 8.5235 117.2917 56.6641 38.5472 176.6405 51 L 3.9705 8.0009 121.7972 57.9313 42.2120 178.9896 52 V 3.6344 8.1606 118.6379 66.1711 31.3356 178.0201 53 L 4.4352 7.6419 117.8054 56.2598 41.4408 178.8156 54 R 3.6471 7.4895 118.7731 58.8256 30.0621 176.6481 55 D 4.8080 7.3162 114.7260 53.9113 42.3861 175.9289 56 N 4.9908 7.8130 116.8219 51.3130 42.0489 175.4176 57 T 3.4874 8.6665 119.7952 65.9298 68.8832 174.2990 58 F 5.1448 7.4334 117.6266 55.1147 42.7411 176.0164 59 I 3.4629 9.0622 123.6904 64.0383 36.8151 177.8097 60 V 4.3545 7.7170 117.5440 62.5662 31.6671 174.9505 61 S 3.8159 7.9560 111.3311 59.5017 60.3583 171.7598 62 T 4.6744 7.9471 108.3694 60.0044 70.8535 174.4025 63 L 4.3389 8.2742 120.7741 56.2894 42.1022 176.7190 64 Y 4.9741 7.3792 115.0247 54.8678 41.7765 173.3011 65 P 3.7819 0.0000 0.0000 62.8274 32.0879 175.6288 66 T 4.5448 8.6642 110.4972 59.3117 71.4079 175.1899 67 S 4.0127 8.5546 116.2283 62.1307 62.3223 176.8032 68 T 3.9346 7.6412 118.1259 66.6545 68.1312 176.1585 69 D 4.7273 8.0994 120.7881 57.5087 40.9082 179.1806 70 V 3.6396 7.6208 118.1257 66.4039 31.0576 177.6741 71 H 4.3854 8.4843 116.3903 58.8588 28.4495 178.0956 72 V 3.8078 8.1828 120.1055 66.0322 31.3522 177.6491 73 F 4.1757 8.9022 120.7822 61.5521 38.8625 176.5012 74 E 3.6894 8.2330 117.8097 59.0324 29.4443 178.4221 75 V 3.8849 7.3139 117.7721 65.0988 31.9727 177.8658 76 A 3.9857 8.2413 120.8375 54.7970 18.1055 179.2031 77 L 3.6621 7.7330 119.5263 57.7877 42.1393 177.5361 78 P 4.1450 0.0000 0.0000 65.5021 31.1218 178.1189 79 L 3.8648 7.5562 120.2541 58.1669 41.9913 179.0421 80 I 3.5734 8.0060 120.1529 64.2567 36.9913 178.4694 81 K 3.9119 8.2280 119.5279 59.7395 31.8378 179.1105 82 D 4.3945 8.0951 119.0709 57.1145 40.5169 178.7975 83 L 4.0080 7.9210 118.9385 57.7834 41.9358 179.3471 84 V 3.8296 8.1667 118.2202 66.0130 31.2588 177.8494 85 A 4.0881 7.9100 119.6881 54.6766 18.2988 178.7751 86 S 4.5463 7.6940 109.5596 57.4765 63.8983 174.4955 87 S 4.3199 7.1791 117.1363 58.5180 62.6644 174.4797 88 K 4.0930 8.5774 125.5057 58.7682 32.5928 177.4732 89 D 4.3550 8.0765 118.0498 52.2343 43.6610 175.6252 90 V 3.6544 8.3857 127.8988 65.9386 31.6069 177.3748 91 K 3.7946 8.0447 118.8725 59.8583 31.9419 178.6814 92 S 4.1323 8.3358 115.2335 61.8087 62.3339 176.8653 93 T 3.9468 7.8685 118.1577 66.8156 68.0075 176.3730 94 Y 4.0432 8.2817 117.6135 61.5631 38.0252 178.6046 95 T 4.0435 8.1215 115.5066 66.8475 68.5676 176.5456 96 T 3.9868 7.6051 116.7116 65.1006 68.8517 174.4377 97 Y 5.0009 7.4703 118.8383 56.8031 39.4319 178.0425 98 R 3.8890 8.3286 120.5102 60.1060 30.3209 177.9363 99 H 4.4320 7.8772 114.9542 58.5579 28.9132 177.6339 100 I 3.8730 7.8450 121.2827 64.4657 36.9881 178.2641 101 L 4.0199 8.1332 119.8471 57.6823 41.3753 179.2656 102 R 3.9538 8.0999 118.7197 59.5161 29.8972 178.3573 103 W 4.2807 8.1953 127.3935 60.2628 30.6959 178.0174 104 I 3.5977 8.5517 120.4320 64.3802 36.4041 177.6533 105 D 4.3231 8.1940 118.7220 57.5305 40.9302 177.7392 106 Y 3.8706 7.7865 119.3783 61.1137 38.8329 177.9706 107 M 3.6649 8.0683 120.1690 58.0726 31.8004 178.8316 108 Q 3.9137 8.1571 118.1529 58.8600 28.7635 178.4448 109 N 4.1454 7.6113 118.6373 56.0120 38.4375 176.7179 110 L 3.6080 7.2876 120.9297 58.1735 41.9781 177.9158 111 L 4.2029 7.7981 114.8184 54.0267 41.8692 176.3897 112 E 3.6843 7.5951 116.8165 57.1700 27.2325 175.2307 113 V 3.7883 7.7129 117.3562 62.5857 32.6826 176.1937 114 S 4.3603 8.3508 120.0169 58.2039 64.8550 175.3290 115 S 4.0602 8.5302 117.5325 61.9293 62.2464 176.3792 116 T 4.0080 7.8470 117.3572 66.3368 68.3583 175.4889 117 D 4.6067 7.5298 118.9157 54.4635 41.5783 177.3746 118 K 4.2588 7.4828 118.8130 56.0294 32.6713 176.0583 119 L 4.1487 8.7893 126.4392 54.5207 42.4626 176.4655 120 E 4.0016 9.0522 124.8489 59.5490 29.0758 174.3539 121 I 3.8089 8.3569 121.7188 59.2443 36.3091 171.2326 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 M 8.29 4.42 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 4 S 8.34 4.29 0.00 4.17 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 9.37 4.40 0.00 2.75 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 6 L 7.82 3.99 0.00 1.68 1.71 0.91 0.87 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 7 V 8.32 3.66 2.24 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 1.17 0.00 0.00 0.93 0.00 0.00 8 T 7.58 3.87 4.40 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 1.22 0.00 0.00 9 K 8.41 3.99 0.00 2.03 1.96 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 10 F 8.59 4.22 0.00 3.18 3.33 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 11 E 8.29 3.79 0.00 2.11 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 2.35 2.43 0.00 12 S 7.67 4.35 0.00 4.03 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 13 L 8.09 4.21 0.00 1.69 1.55 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.48 3.19 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.28 0.89 0.00 0.00 15 I 6.92 3.74 1.84 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 1.16 1.04 0.89 0.00 0.00 *18 Y 7.47 3.50 0.00 2.40 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 0.00 0.00 0.00 19 P 0.00 4.57 0.00 2.25 2.23 0.00 3.24 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 2.23 2.01 0.00 20 V 8.21 3.79 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 0.79 0.00 0.00 0.96 0.00 0.00 21 S 7.99 4.39 0.00 4.04 4.05 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 0.00 0.00 0.00 22 F 8.22 4.37 0.00 3.18 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 23 T 8.81 4.32 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 1.15 0.00 0.00 24 K 8.32 3.94 0.00 1.78 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.48 7.81 25 E 8.01 3.85 0.00 1.96 1.84 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 2.33 2.36 0.00 26 Q 7.72 3.80 0.00 1.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.10 0.00 27 S 7.78 4.28 0.00 4.07 4.03 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 28 A 8.25 4.01 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 29 Q 8.33 4.06 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 30 A 8.56 4.20 1.57 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 0.00 0.00 31 A 8.22 4.00 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 32 Q 8.30 3.82 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 33 W 8.42 4.20 0.00 3.46 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 34 E 8.73 4.11 0.00 1.95 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 2.25 2.19 0.00 35 S 8.25 4.27 0.00 3.96 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 36 V 7.71 3.49 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 1.12 0.00 0.00 0.42 0.00 0.00 37 L 8.00 4.04 0.00 2.01 1.76 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.28 4.06 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 39 S 8.17 4.54 0.00 4.03 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 40 G 7.88 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 0.00 0.00 0.00 41 Q 8.19 4.68 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 42 I 8.02 3.94 1.96 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 1.35 1.28 0.95 0.00 0.00 43 Q 8.31 3.96 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 44 P 0.00 4.53 0.00 2.17 2.16 0.00 3.90 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 2.18 2.01 0.00 45 H 8.20 4.78 0.00 3.53 3.61 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 4.06 0.00 1.81 1.75 0.68 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.21 4.48 0.00 2.75 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 48 Q 8.18 4.04 0.00 2.19 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 49 L 8.44 3.94 0.00 1.72 1.80 -0.18 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.52 4.33 0.00 3.09 3.07 0.00 0.00 6.87 7.51 0.00 0.00 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 L 8.00 3.97 0.00 1.85 1.85 0.92 0.93 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 52 V 8.16 3.63 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 0.94 0.00 0.00 1.15 0.00 0.00 53 L 7.64 4.44 0.00 1.61 1.59 0.06 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.49 3.65 0.00 1.74 1.97 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.27 0.00 55 D 7.32 4.81 0.00 2.75 2.62 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 0.00 0.00 0.00 0.00 56 N 7.81 4.99 0.00 2.75 2.75 0.00 0.00 6.90 7.60 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 57 T 8.67 3.49 3.83 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 0.00 0.00 0.00 0.14 0.00 0.00 58 F 7.43 5.14 0.00 3.18 3.24 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 59 I 9.06 3.46 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.15 0.29 0.00 0.00 60 V 7.72 4.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.12 0.00 0.00 61 S 7.96 3.82 0.00 4.10 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 62 T 7.95 4.67 4.33 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 1.50 0.00 0.00 63 L 8.27 4.34 0.00 1.38 1.54 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.38 4.97 0.00 2.79 2.53 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 0.00 0.00 0.00 0.00 65 P 0.00 3.78 0.00 1.95 1.63 0.00 3.50 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 66 T 8.66 4.54 4.21 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 1.28 0.00 0.00 67 S 8.55 4.01 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.64 3.93 4.33 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 1.31 0.00 0.00 69 D 8.10 4.73 0.00 2.96 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 70 V 7.62 3.64 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 1.12 0.00 0.00 0.87 0.00 0.00 71 H 8.48 4.39 0.00 3.28 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.18 3.81 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 73 F 8.90 4.18 0.00 2.74 3.24 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 74 E 8.23 3.69 0.00 2.36 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 2.32 2.37 0.00 75 V 7.31 3.88 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 0.98 0.00 0.00 1.01 0.00 0.00 76 A 8.24 3.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.73 3.66 0.00 0.64 1.05 0.85 0.96 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 78 P 0.00 4.14 0.00 2.24 2.23 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 79 L 7.56 3.86 0.00 1.78 1.86 0.90 0.95 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 80 I 8.01 3.57 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.83 0.00 0.00 81 K 8.23 3.91 0.00 1.99 1.86 0.00 1.81 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 D 8.10 4.39 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 83 L 7.92 4.01 0.00 1.77 1.81 0.78 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 84 V 8.17 3.83 2.17 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 1.18 0.00 0.00 1.10 0.00 0.00 85 A 7.91 4.09 1.39 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 0.00 0.00 86 S 7.69 4.55 0.00 4.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.18 4.32 0.00 4.10 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 88 K 8.58 4.09 0.00 1.81 1.87 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.38 7.81 89 D 8.08 4.35 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 3.65 2.02 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 0.87 0.00 0.00 0.95 0.00 0.00 91 K 8.04 3.79 0.00 1.80 1.94 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 92 S 8.34 4.13 0.00 4.11 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 93 T 7.87 3.95 4.62 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 0.00 0.00 0.00 1.48 0.00 0.00 94 Y 8.28 4.04 0.00 3.04 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 95 T 8.12 4.04 4.37 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 1.21 0.00 0.00 96 T 7.61 3.99 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 0.61 0.00 0.00 97 Y 7.47 5.00 0.00 2.98 2.80 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 98 R 8.33 3.89 0.00 1.51 1.85 0.00 3.10 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 99 H 7.88 4.43 0.00 3.31 3.38 0.00 5.63 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 0.00 100 I 7.85 3.87 2.11 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 1.10 0.00 0.00 101 L 8.13 4.02 0.00 1.80 1.60 0.36 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.10 3.95 0.00 1.95 2.22 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 103 W 8.20 4.28 0.00 3.37 3.43 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 0.00 104 I 8.55 3.60 2.10 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 1.56 0.88 1.01 0.00 0.00 105 D 8.19 4.32 0.00 2.96 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 0.00 106 Y 7.79 3.87 0.00 3.15 3.08 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 0.00 107 M 8.07 3.66 0.00 0.51 0.72 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.14 0.00 108 Q 8.16 3.91 0.00 2.36 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 109 N 7.61 4.15 0.00 2.84 2.65 0.00 0.00 6.48 6.61 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 0.00 110 L 7.29 3.61 0.00 1.11 1.55 0.76 1.12 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 0.00 111 L 7.80 4.20 0.00 1.58 1.62 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.60 3.68 0.00 2.05 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 2.18 2.30 0.00 113 V 7.71 3.79 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 0.83 0.00 0.00 1.08 0.00 0.00 114 S 8.35 4.36 0.00 4.08 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 0.00 115 S 8.53 4.06 0.00 3.88 3.94 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 0.00 116 T 7.85 4.01 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 1.21 0.00 0.00 117 D 7.53 4.61 0.00 2.59 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 K 7.48 4.26 0.00 1.74 1.76 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.54 7.81 119 L 8.79 4.15 0.00 1.59 1.72 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.05 4.00 0.00 2.02 1.81 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 2.24 1.89 0.00 121 I 8.36 3.81 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 1.27 0.89 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.