NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 M 4.4511 8.3044 120.3265 55.6382 33.4345 174.2920 22 N 4.8480 7.7184 116.0515 51.0278 43.6516 171.0100 23 V 3.6699 9.2703 124.9283 66.4497 32.0030 178.0162 24 I 3.7306 7.6752 118.9037 64.1553 36.9214 177.7111 25 D 4.3515 8.1354 119.4173 58.0298 40.5931 178.6585 26 H 4.1459 8.2737 116.3491 58.8299 28.5540 178.1109 27 V 3.4717 7.6605 120.1664 65.7258 31.2407 178.1492 28 R 2.9512 8.0188 118.9122 59.1664 29.7959 177.8907 29 D 4.2538 8.2069 118.9726 57.8199 40.8648 178.4760 30 M 3.8651 8.3074 118.8236 58.5638 31.9637 178.7195 31 A 3.7691 7.9320 120.4477 55.1632 18.3119 179.1042 32 A 3.8569 7.7965 117.6856 55.5615 18.5905 179.4541 33 A 4.1180 7.9654 116.4193 52.6160 18.3790 177.9120 34 G 3.5308 7.7607 105.2553 46.7884 0.0000 175.9399 35 L 4.3174 7.4283 119.5505 53.2899 38.0805 176.8505 36 H 4.1087 7.8165 121.4499 59.2966 29.4245 177.4481 37 S 4.0754 8.1117 115.2109 61.8974 62.6458 176.2043 38 N 4.2719 8.1120 120.2518 55.5239 38.4525 177.2197 39 V 3.5501 7.8044 119.5155 66.2486 31.4172 177.6599 40 R 3.9305 8.2538 119.8357 59.0868 30.0578 178.4266 41 L 3.9829 7.9184 118.0545 57.5231 41.5443 179.5855 42 L 3.9529 8.1424 120.5773 58.1667 42.1119 178.8939 43 S 4.0305 8.5453 114.6428 61.5634 62.6423 176.2078 44 S 4.0044 8.4069 116.9111 61.1118 62.0732 175.9005 45 L 3.9402 7.8043 122.4577 58.1632 41.7427 178.8042 46 L 4.1107 8.6738 119.6044 57.9186 41.6279 179.5082 47 L 4.0329 8.5998 119.3246 58.1612 41.6077 179.5907 48 T 3.8722 8.0951 115.7425 66.7839 68.3714 176.3945 49 L 3.9819 8.2566 122.2717 58.0578 41.8166 178.9882 50 S 4.0633 8.1088 112.8547 61.3153 62.5124 175.5365 51 N 4.5276 8.2382 117.3636 55.1653 38.3238 175.9948 52 N 4.8816 7.4702 116.1041 52.8298 41.4287 174.7124 53 N 4.9105 8.1348 118.2208 49.9470 38.7527 171.9200 54 P 4.5245 0.0000 0.0000 63.7346 32.3465 176.4375 55 E 4.0561 8.7655 117.8876 57.0642 26.7718 175.5230 56 L 3.9830 7.5284 122.1684 56.7215 42.6599 177.0502 57 F 5.5050 7.5779 116.2587 54.9527 42.6548 174.2990 58 S 4.6774 9.2474 119.3180 57.1480 65.2912 173.5723 59 P 4.2599 0.0000 0.0000 65.7998 31.1355 176.9911 60 P 4.3393 0.0000 0.0000 65.7782 31.1573 178.6864 61 Q 3.9749 7.7772 115.7391 58.7948 28.5092 178.8938 62 K 3.9332 8.4740 119.9418 59.4802 32.0094 178.5439 63 Y 4.1407 8.0130 119.7147 60.9140 38.6685 177.9440 64 Q 3.1774 7.8016 118.7841 58.7858 28.7809 179.0507 65 L 3.8687 7.7996 120.9756 58.2520 42.0988 178.9985 66 L 3.8952 7.9090 118.8867 57.6997 41.5741 179.7344 67 V 3.3943 7.4806 118.1910 66.1759 31.3718 177.4958 68 Y 4.3945 7.5746 116.8236 61.5155 37.7294 178.3923 69 H 4.0940 8.6471 119.1210 59.1774 29.9925 177.1892 70 A 3.6333 8.2374 122.9281 55.0109 17.9744 179.0505 71 D 4.6365 8.3679 119.1410 57.0065 40.4882 178.8858 72 S 4.1156 8.2325 113.3692 61.6639 62.3414 175.9835 73 L 3.8938 8.2760 121.5999 57.8753 41.3147 179.4043 74 F 3.7946 8.7223 120.4622 61.6740 39.2000 176.4718 75 H 4.2084 8.6329 116.7946 59.5630 29.7389 176.3102 76 D 4.3859 7.9512 117.7657 54.4161 40.6428 176.5343 77 K 2.7070 7.9781 118.4589 57.5812 29.9250 177.2485 78 E 4.2284 7.1429 120.8399 55.1236 28.2730 175.6122 79 Y 4.1122 7.5980 121.5034 60.7795 38.4581 177.6008 80 R 4.0713 7.9954 118.6723 59.1463 30.2169 178.7205 81 N 4.2963 8.0870 115.6389 56.2186 38.7001 176.8972 82 A 3.7910 7.8666 122.1880 55.2094 18.3467 179.6351 83 V 3.5929 8.3100 117.1698 66.3898 31.4910 178.4621 84 S 4.1683 7.9580 113.3212 61.2773 62.8510 176.6015 85 K 3.9048 8.0534 122.0709 59.3625 31.6905 178.5569 86 Y 4.3751 8.1584 117.5993 61.7442 37.9108 179.2673 87 T 4.0166 8.4065 110.5304 65.0800 68.7541 176.3175 88 M 4.0698 8.3714 121.5107 58.0599 31.8990 178.4112 89 A 4.1364 8.5756 121.1907 55.4184 18.6961 179.6304 90 L 4.0113 8.3284 117.5710 57.9689 41.4195 179.7026 91 Q 3.9928 7.8785 117.0568 59.2817 28.9069 178.5655 92 Q 4.1502 8.1147 118.7879 59.1209 28.5706 179.1615 93 K 3.4700 7.9229 119.4266 59.2030 32.1549 178.3802 94 K 3.9689 7.6275 117.6609 58.5619 32.2829 177.5787 95 A 4.2626 6.9005 119.8276 52.2217 18.9850 176.5457 96 L 4.5692 7.8101 118.3399 53.5624 45.6519 176.3611 *117 C 4.4591 8.5504 116.0778 57.8165 30.9913 173.8726 118 L 4.4171 7.7814 119.2269 53.6043 42.2539 174.8813 119 P 4.2972 0.0000 0.0000 63.0357 31.8816 177.3440 120 S 4.3385 8.6090 118.0590 58.0396 64.7388 174.6505 121 E 4.0115 8.9933 125.8004 59.9829 29.3568 179.3803 122 I 3.7244 7.7544 118.9727 64.2551 37.1984 177.9041 123 E 3.9419 8.2153 120.3957 59.0296 29.4552 179.0871 124 V 3.4048 7.8554 118.3061 66.0064 31.7128 177.9530 125 K 3.8808 8.2601 118.5091 59.6741 31.8930 178.4235 126 Y 4.0453 7.9190 119.4316 60.8719 38.6917 178.5501 127 K 4.0432 7.6592 120.0410 58.4911 32.0306 178.8157 128 L 3.5694 7.7449 120.8394 58.2842 41.9258 178.8133 129 A 4.1172 8.2607 120.6604 55.3473 18.0741 179.4341 130 E 3.7463 7.8686 116.7069 59.6967 29.6017 179.0406 131 C 3.8786 8.3900 117.0448 63.3837 28.2810 175.8070 132 Y 4.3629 7.7374 117.7923 61.5789 37.3456 179.2342 133 T 3.9503 7.8588 116.3751 66.7844 68.4015 176.9267 134 V 3.3827 7.3332 118.5264 65.6460 31.4767 177.1752 135 L 4.2119 7.5596 115.8647 54.3128 41.6427 177.1398 136 K 3.9051 7.8947 117.5737 57.8510 30.1012 177.1131 137 Q 4.4352 8.2653 121.0797 54.8674 28.0848 175.4035 138 D 4.3599 8.1410 124.9771 56.4435 41.4993 177.6743 139 K 3.7127 8.0525 119.7493 60.0529 32.0896 178.0904 140 D 4.0822 7.7732 117.8300 56.6301 40.6723 178.4892 141 A 4.0857 7.5541 120.8228 55.2395 18.4727 179.5549 142 I 3.5196 8.3446 118.5286 64.4800 37.2153 178.1674 143 A 3.9728 7.8393 121.3966 55.6474 17.9569 179.8615 144 I 3.7370 7.3787 115.9988 64.3393 37.3462 178.5672 145 L 4.1627 7.7690 119.7969 57.9156 41.3638 178.9681 146 D 4.5025 8.5156 117.0400 57.1420 41.1791 178.0175 147 G 3.8513 7.8116 104.5217 45.2084 0.0000 173.5520 148 I 4.0429 7.4565 123.4257 59.8043 37.7860 174.0872 149 P 4.2239 0.0000 0.0000 62.9523 32.0381 176.9857 150 S 4.1638 9.1003 117.7914 61.5327 62.7124 176.9358 151 R 4.0105 7.9703 115.5687 58.0653 29.2464 176.9625 152 Q 4.3668 8.0630 116.3994 55.9141 29.3263 176.0350 153 R 4.1447 7.7262 118.7205 56.0108 30.9004 177.0554 154 T 4.4062 8.1037 112.5908 59.8700 71.8331 174.1033 155 P 4.1906 0.0000 0.0000 65.7697 31.4577 178.5686 156 K 3.7817 7.9682 117.5916 59.8930 32.0583 178.6672 157 I 3.9799 7.3445 119.6664 64.3366 36.8600 178.1757 158 N 4.4869 8.3310 117.6317 56.0625 38.2819 177.3297 159 M 4.0315 8.2220 120.3781 58.4177 32.0492 178.0152 160 L 3.9080 7.8727 119.8858 58.4881 42.1828 178.5827 161 L 3.5382 7.7620 117.5867 57.9488 41.4415 179.2377 162 A 4.1263 7.9173 119.3912 55.6972 18.3883 179.0115 163 N 4.4080 8.1220 113.2712 56.6635 38.7344 177.2954 164 L 4.0328 7.7288 119.2236 57.4491 42.9499 178.6978 165 Y 4.8554 7.3942 117.2682 56.6975 34.1932 175.9162 166 K 4.1867 7.5138 122.4607 56.9156 33.3096 176.6120 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 21 M 8.30 4.45 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 22 N 7.72 4.85 0.00 2.75 2.89 0.00 0.00 7.26 6.83 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 23 V 9.27 3.67 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 1.10 0.00 0.00 1.04 0.00 0.00 24 I 7.68 3.73 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.28 0.96 0.00 0.00 25 D 8.14 4.35 0.00 2.80 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 26 H 8.27 4.15 0.00 3.37 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.66 3.47 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 0.95 0.00 0.00 0.94 0.00 0.00 28 R 8.02 2.95 0.00 1.35 1.95 0.00 3.44 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 29 D 8.21 4.25 0.00 2.82 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 30 M 8.31 3.87 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 31 A 7.93 3.77 1.11 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 0.00 0.00 0.00 32 A 7.80 3.86 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 33 A 7.97 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.76 3.53 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 0.00 0.00 0.00 35 L 7.43 4.32 0.00 1.63 1.59 0.90 1.08 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 36 H 7.82 4.11 0.00 3.21 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.11 4.08 0.00 4.05 4.16 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 0.00 0.00 0.00 0.00 38 N 8.11 4.27 0.00 2.98 2.89 0.00 0.00 6.59 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 39 V 7.80 3.55 2.20 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 0.87 0.00 0.00 0.90 0.00 0.00 40 R 8.25 3.93 0.00 1.87 2.09 0.00 3.20 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 41 L 7.92 3.98 0.00 1.75 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.14 3.95 0.00 1.77 1.75 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.55 4.03 0.00 4.10 4.17 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 44 S 8.41 4.00 0.00 4.03 4.14 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 45 L 7.80 3.94 0.00 1.93 1.85 0.93 0.55 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 46 L 8.67 4.11 0.00 1.94 1.89 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.60 4.03 0.00 1.79 1.69 0.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.10 3.87 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 1.21 0.00 0.00 49 L 8.26 3.98 0.00 1.92 1.85 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.11 4.06 0.00 4.26 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 0.00 51 N 8.24 4.53 0.00 2.75 2.87 0.00 0.00 6.97 7.29 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 52 N 7.47 4.88 0.00 2.89 2.83 0.00 0.00 6.75 7.88 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 53 N 8.13 4.91 0.00 2.54 2.61 0.00 0.00 6.90 7.59 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 54 P 0.00 4.52 0.00 2.03 1.99 0.00 3.76 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 2.02 2.11 0.00 55 E 8.77 4.06 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 56 L 7.53 3.98 0.00 1.55 0.95 0.10 0.40 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 57 F 7.58 5.50 0.00 3.11 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 58 S 9.25 4.68 0.00 4.09 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 59 P 0.00 4.26 0.00 2.19 2.20 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 60 P 0.00 4.34 0.00 2.19 2.14 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 61 Q 7.78 3.97 0.00 2.50 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 62 K 8.47 3.93 0.00 2.11 1.92 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.60 1.72 7.81 63 Y 8.01 4.14 0.00 2.99 3.13 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 64 Q 7.80 3.18 0.00 2.19 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.54 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 65 L 7.80 3.87 0.00 1.78 1.59 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.91 3.90 0.00 1.79 1.64 0.96 1.11 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 67 V 7.48 3.39 1.55 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 0.82 0.00 0.00 0.35 0.00 0.00 68 Y 7.57 4.39 0.00 3.08 2.85 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 69 H 8.65 4.09 0.00 3.21 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.24 3.63 0.23 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 71 D 8.37 4.64 0.00 2.97 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 72 S 8.23 4.12 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 73 L 8.28 3.89 0.00 1.72 1.61 0.81 0.87 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 74 F 8.72 3.79 0.00 3.39 3.31 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 75 H 8.63 4.21 0.00 3.19 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.95 4.39 0.00 2.86 2.59 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 77 K 7.98 2.71 0.00 1.63 1.60 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.40 7.81 78 E 7.14 4.23 0.00 1.85 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 2.12 2.16 0.00 79 Y 7.60 4.11 0.00 2.94 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 80 R 8.00 4.07 0.00 1.92 2.01 0.00 3.21 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 81 N 8.09 4.30 0.00 2.75 2.84 0.00 0.00 7.01 7.55 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 82 A 7.87 3.79 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 83 V 8.31 3.59 2.26 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 1.09 0.00 0.00 0.66 0.00 0.00 84 S 7.96 4.17 0.00 4.14 4.14 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 85 K 8.05 3.90 0.00 1.69 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.63 7.81 86 Y 8.16 4.38 0.00 3.18 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 87 T 8.41 4.02 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 88 M 8.37 4.07 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 89 A 8.58 4.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.33 4.01 0.00 1.92 1.80 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.88 3.99 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.70 0.00 92 Q 8.11 4.15 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 93 K 7.92 3.47 0.00 1.77 1.67 0.00 1.61 0.00 0.00 1.29 0.00 0.00 2.54 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.26 7.81 94 K 7.63 3.97 0.00 1.97 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.65 7.81 95 A 6.90 4.26 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 96 L 7.81 4.57 0.00 1.56 1.49 0.90 0.85 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 *117 C 8.55 4.46 0.00 3.13 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 0.00 118 L 7.78 4.42 0.00 1.80 1.86 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.30 0.00 1.79 1.92 0.00 3.56 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 1.49 1.96 0.00 120 S 8.61 4.34 0.00 4.07 4.02 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 0.00 121 E 8.99 4.01 0.00 2.06 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 2.41 2.46 0.00 122 I 7.75 3.72 1.87 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 0.53 0.91 0.00 0.00 123 E 8.22 3.94 0.00 2.04 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 2.30 2.30 0.00 124 V 7.86 3.40 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 1.00 0.00 0.00 1.10 0.00 0.00 125 K 8.26 3.88 0.00 1.86 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.65 7.81 126 Y 7.92 4.05 0.00 3.11 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 0.00 127 K 7.66 4.04 0.00 1.37 1.28 0.00 1.65 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.18 7.81 128 L 7.74 3.57 0.00 1.57 1.78 0.63 1.07 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 0.00 129 A 8.26 4.12 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 0.00 130 E 7.87 3.75 0.00 2.18 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 0.00 2.18 1.82 0.00 131 C 8.39 3.88 0.00 2.94 2.96 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 0.00 132 Y 7.74 4.36 0.00 3.18 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.86 3.95 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 0.00 134 V 7.33 3.38 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 0.31 0.00 0.00 0.47 0.00 0.00 135 L 7.56 4.21 0.00 1.88 1.74 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.89 3.91 0.00 1.89 1.92 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.36 7.81 137 Q 8.27 4.44 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 138 D 8.14 4.36 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.71 0.00 1.77 1.76 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 140 D 7.77 4.08 0.00 1.96 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.55 4.09 1.45 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 0.00 0.00 142 I 8.34 3.52 2.05 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 1.24 0.50 1.02 0.00 0.00 143 A 7.84 3.97 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 0.00 144 I 7.38 3.74 1.93 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.99 0.00 0.00 145 L 7.77 4.16 0.00 1.76 1.73 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.52 4.50 0.00 2.71 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 0.00 147 G 7.81 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 0.00 148 I 7.46 4.04 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.93 0.00 0.00 149 P 0.00 4.22 0.00 2.18 2.02 0.00 3.63 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 150 S 9.10 4.16 0.00 4.01 4.16 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 0.00 0.00 0.00 0.00 151 R 7.97 4.01 0.00 1.94 2.12 0.00 3.02 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 152 Q 8.06 4.37 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 153 R 7.73 4.14 0.00 1.84 1.88 0.00 3.18 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 154 T 8.10 4.41 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 1.16 0.00 0.00 155 P 0.00 4.19 0.00 2.14 2.14 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 156 K 7.97 3.78 0.00 1.59 1.35 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.44 7.81 157 I 7.34 3.98 2.09 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 1.73 0.63 0.97 0.00 0.00 158 N 8.33 4.49 0.00 2.90 2.88 0.00 0.00 6.90 7.19 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 0.00 159 M 8.22 4.03 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 160 L 7.87 3.91 0.00 1.93 1.70 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.76 3.54 0.00 1.87 1.62 0.98 0.61 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 0.00 162 A 7.92 4.13 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 0.00 163 N 8.12 4.41 0.00 2.82 2.88 0.00 0.00 7.15 8.23 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 0.00 164 L 7.73 4.03 0.00 1.29 1.50 0.77 0.71 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 0.00 165 Y 7.39 4.86 0.00 3.14 2.84 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 0.00 166 K 7.51 4.19 0.00 1.87 1.66 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.