NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 5.0746 8.1400 114.7949 58.6635 64.4225 172.8831 4 V 3.4966 7.5712 116.9778 63.7579 31.4909 173.5866 5 V 3.4763 7.5954 118.1989 66.3523 31.7749 177.2032 6 T 3.7941 7.4827 112.6986 65.1584 66.9240 176.2461 7 K 4.0252 7.6634 119.6332 58.7491 31.9919 179.6954 8 S 4.1508 8.1407 116.0955 61.4298 62.9256 176.1205 9 I 3.5929 7.5248 122.5135 64.6146 36.6776 178.1544 10 V 3.5345 7.1563 117.1501 66.4067 31.4599 177.3259 11 N 4.4179 7.7861 114.2315 56.3981 38.4068 177.3148 12 A 3.9752 8.4946 122.4099 55.1784 18.4326 179.1615 13 D 4.2934 8.5726 116.3680 56.8758 41.0130 178.1732 14 A 4.0413 7.5693 121.8002 54.3541 18.5737 177.8777 15 E 4.3482 8.0736 112.3877 55.1793 30.3452 175.6590 16 A 3.7606 7.4603 120.5572 52.7118 16.4765 176.8997 17 R 4.7583 7.8078 117.5956 54.6966 35.0427 175.7163 18 Y 3.9424 8.5634 117.2937 57.5413 38.4881 176.4308 19 L 4.1738 8.5679 122.7519 55.4488 42.5617 178.3396 20 S 4.4104 9.3174 118.8672 57.4466 65.0311 173.6084 21 P 4.3690 0.0000 0.0000 66.3234 30.5439 178.8113 22 G 3.6651 8.0308 103.9490 47.4996 0.0000 175.0901 23 E 4.1326 7.9840 120.9126 59.3335 29.5891 179.3137 24 L 3.9939 7.7922 118.5481 58.1273 41.7589 179.3555 25 D 4.4362 8.5181 119.0585 57.3355 40.7538 179.2543 26 R 4.0286 8.2928 119.1849 59.2874 30.1899 179.0365 27 I 3.8305 7.7991 112.1552 63.5438 37.2289 178.0244 28 K 3.9861 8.2005 121.8460 59.6254 32.0163 177.9509 29 N 4.6206 7.8666 114.0889 53.5553 38.7989 175.9598 30 F 4.2070 8.0177 122.7394 59.5519 39.6757 177.5191 31 V 3.8408 7.7910 118.2873 64.9137 31.7543 177.3980 32 S 4.3522 7.7395 113.2083 59.9081 63.5705 175.1353 33 T 4.4563 7.5631 114.5933 62.3308 67.3168 175.8245 34 G 3.7185 7.5924 106.9223 48.6850 0.0000 174.9142 35 E 3.8982 8.0897 121.3951 58.8672 29.9022 178.8622 36 R 3.9692 8.0510 117.7449 59.3934 30.2509 178.1080 37 R 3.8927 7.9013 117.6999 59.6965 30.1828 178.9040 38 L 4.0236 8.0526 118.2270 57.6427 41.4944 179.6389 39 R 3.8783 8.2685 119.1452 59.4641 30.0817 178.6126 40 I 3.6792 7.7449 118.7930 64.3475 37.1202 178.1063 41 A 3.9546 8.0317 121.5009 55.1718 18.0048 179.3331 42 Q 3.8914 8.2228 117.2996 59.7255 29.2815 178.2752 43 T 4.0024 8.1279 114.0869 65.1555 67.3026 176.2428 44 L 4.0546 7.9549 120.9969 57.8506 41.4930 178.8098 45 T 4.1246 8.0587 110.9837 63.6759 67.4166 175.1169 46 E 4.4385 7.7370 118.8010 57.4341 30.3403 176.2343 47 N 4.9478 7.7389 114.5598 52.5078 39.7636 175.9934 48 R 3.9166 7.8685 118.0955 59.7567 28.8007 178.3392 49 E 4.0087 8.1168 117.4335 59.3966 29.8673 179.2664 50 R 4.0352 7.8700 117.0276 59.5751 29.9531 178.8013 51 I 3.6531 7.8557 119.7152 64.7075 36.8245 178.3424 52 V 3.5148 7.3468 117.9711 65.6144 31.7397 177.5266 53 K 3.9585 8.0487 119.7866 59.5259 31.9940 178.6625 54 Q 4.4955 8.1605 118.2442 58.8803 28.1857 178.2788 55 A 4.0321 7.6367 122.4035 54.6474 18.2725 179.8925 56 G 3.2112 7.9832 104.6194 47.6520 0.0000 175.9173 57 D 4.1775 7.6467 120.6292 57.4558 40.5647 178.4081 58 Q 3.9742 8.5563 118.8485 59.0948 28.6172 179.6382 59 L 3.9913 7.4527 120.2575 58.1578 42.1102 178.8913 60 F 4.6499 7.5724 115.3237 59.8746 38.7822 177.1232 61 Q 4.1935 7.9017 119.1634 59.0610 29.1641 177.7400 62 K 4.2211 7.6558 116.9810 58.1863 33.5274 177.5800 63 R 4.7272 8.1847 117.5332 53.6763 30.2674 174.3743 64 P 4.4309 0.0000 0.0000 65.2700 32.1165 179.0594 65 D 4.3111 8.0360 119.0105 57.0518 41.1259 178.6068 66 V 3.5426 8.0457 119.0788 65.3123 31.5327 177.0430 67 V 4.9680 7.1147 109.0407 60.2139 31.7317 175.0149 68 S 4.9966 7.3133 117.5798 55.4327 65.9268 171.0380 69 P 2.9700 0.0000 0.0000 64.4554 30.9037 176.7773 70 G 3.7838 8.4365 110.5250 45.0311 0.0000 173.0867 71 G 4.4870 6.7936 107.3839 42.4285 0.0000 172.5005 72 N 3.6803 8.1780 115.9432 57.4066 39.4246 174.1884 *75 A 4.2449 7.4679 126.6306 52.0969 18.9307 173.7798 76 Y 4.9943 7.9739 120.3949 57.2526 41.9178 175.6110 77 G 3.9095 8.3370 113.1333 45.0373 0.0000 173.7476 78 E 3.8988 8.6063 118.1436 59.4565 28.0094 178.7040 79 E 3.9022 7.9534 118.4926 60.2029 29.3695 179.0675 80 M 4.2851 7.7865 117.4592 58.7306 32.3658 178.6679 81 T 3.8826 7.9427 113.0696 65.1808 67.5334 175.7321 82 A 4.0637 8.1939 122.9248 55.5251 18.3410 179.7123 83 T 3.8905 7.5110 108.2661 64.6628 68.7875 176.4987 84 C 4.0946 7.8204 120.8473 62.4422 31.8051 175.2969 85 L 4.1232 8.0264 120.3256 57.7735 41.2228 179.1290 86 R 3.7013 7.5901 118.1798 59.9227 29.7332 177.8285 87 D 4.2324 8.3832 118.5105 57.6470 40.8577 179.1206 88 L 4.2642 8.2110 119.5159 57.6999 41.6208 178.9491 89 D 4.4356 7.9651 117.6867 57.0774 41.3168 177.5468 90 Y 4.3562 7.9686 117.6050 61.6611 37.7111 178.5098 91 Y 4.2167 7.5853 115.7872 60.6664 38.1878 178.1221 92 L 4.1282 7.8628 121.1331 58.2109 42.1415 178.8070 93 R 3.6274 7.8793 118.6068 59.5544 29.8954 178.3778 94 L 3.6380 7.4923 117.6596 56.9333 41.5056 179.7112 95 V 3.4192 7.5817 119.1147 66.0650 31.4731 178.0805 96 T 3.7646 7.6602 109.0055 64.9120 68.3873 175.7425 97 Y 4.3978 7.5085 119.7848 61.0375 37.8953 178.4073 98 G 3.9476 8.0925 106.5097 48.8822 0.0000 175.3858 99 I 2.8661 7.0319 120.8794 64.0198 37.2173 178.2847 100 V 3.6848 7.5888 117.3041 66.1017 31.5849 177.5892 101 A 4.2210 8.2424 120.5606 52.7720 18.0124 179.0585 102 G 4.1209 8.3743 104.0994 45.6207 0.0000 172.1784 103 D 4.8893 7.7822 117.7701 52.4086 44.8048 175.5914 104 V 4.2464 7.9387 119.0973 62.9292 33.2062 177.2120 105 T 3.8577 7.4486 111.4115 65.0886 68.2015 173.8471 106 P 4.2183 0.0000 0.0000 65.6281 30.8056 178.1736 107 I 3.8095 7.9166 119.0829 64.3081 37.2086 177.7669 108 E 4.0842 8.3297 118.7974 60.0737 29.1246 179.3108 109 E 4.0519 8.3840 117.7737 59.4336 29.6283 179.2368 110 I 4.2109 7.8493 119.2159 63.2538 37.6487 177.3447 111 G 4.4244 8.5925 108.9169 44.5805 0.0000 173.4201 112 L 4.7883 8.3096 118.3047 54.9183 45.4646 177.4478 113 V 4.1401 7.6802 118.4997 61.5165 28.8934 175.4679 114 G 4.0867 8.3572 113.6993 45.2213 0.0000 173.7440 115 V 3.7561 7.9753 120.9786 65.8696 31.4904 177.3508 116 R 4.0218 8.0761 117.1370 59.4507 29.7777 178.5107 117 E 4.0028 8.2598 116.4210 59.7455 29.4992 178.8401 118 M 4.1449 8.0672 117.7840 59.0667 32.4150 177.9095 119 Y 4.1901 8.6052 117.2439 61.1358 38.1441 178.3855 120 N 4.4036 8.7923 117.9594 56.4697 38.4167 177.3458 121 S 4.1617 7.6620 112.2415 60.8337 62.5756 175.3079 122 L 4.4509 7.7858 119.2309 53.8523 41.7831 177.0929 123 G 3.9241 7.6039 106.4504 46.5176 0.0000 173.2332 124 T 4.4618 7.9046 113.5695 59.3723 68.6643 173.1102 125 P 4.3519 0.0000 0.0000 63.0826 32.4384 177.5043 126 I 3.5010 8.3009 124.2063 63.5732 37.3577 176.5304 127 P 4.4033 0.0000 0.0000 65.7266 30.6917 178.3428 128 A 4.0041 7.7941 119.6060 54.9236 18.7168 179.2501 129 V 3.6281 7.4308 116.7868 65.9909 31.5795 177.9958 130 A 3.9138 8.3616 120.9449 55.3706 18.1933 179.4569 131 E 4.1184 8.1913 116.3137 59.0140 29.5382 179.6600 132 G 3.6457 8.1187 106.1599 47.3954 0.0000 175.8075 133 I 4.0405 7.6222 121.4129 63.7327 37.1884 178.2155 134 R 3.8382 7.8724 118.0645 59.2292 30.2746 178.1988 135 A 4.0845 7.8890 120.3669 55.7198 18.2468 179.4073 136 M 3.8541 7.4926 116.0086 58.6502 32.0199 178.8374 137 K 2.4800 7.5230 119.2328 58.8642 31.9776 178.0485 138 N 4.3269 7.7338 116.2823 55.3609 38.6780 177.4969 139 V 3.4796 7.5017 117.9348 65.9351 32.0197 177.5164 140 A 4.1074 8.1519 120.8251 55.4681 18.3411 179.4246 141 C 4.1017 7.7025 115.4267 62.7385 27.8861 176.3790 142 S 4.2473 7.7307 114.5023 60.4411 62.7076 175.4214 143 L 4.4309 7.6724 120.7106 53.9126 41.9697 175.9164 144 L 4.7854 6.8269 118.8485 52.3330 44.7544 176.7416 145 S 4.4022 8.2562 115.2913 57.7325 64.9486 174.8004 146 A 3.9873 8.5188 123.9022 55.5524 18.1417 179.4101 147 E 4.1675 7.9969 115.7884 59.3681 30.1591 178.5900 148 D 4.5039 7.7936 117.7925 56.6078 40.8467 178.4790 149 A 4.3138 7.8878 120.8160 54.1615 18.9856 179.2017 150 A 3.8014 7.6185 118.3839 55.1118 18.8901 178.2558 *161 E 4.3919 7.9592 116.4197 56.3195 29.9724 177.7225 162 A 4.4173 7.7499 118.8704 54.9257 18.2320 179.8219 163 G 3.9031 8.3229 104.7731 48.3239 0.0000 175.4751 164 S 4.0851 8.0777 116.7736 62.2096 62.5994 176.4172 165 Y 4.0371 8.0894 118.5166 61.2305 37.4568 179.0014 166 F 4.2869 7.8534 116.9626 60.2497 39.2982 177.7285 167 D 4.4260 8.2875 118.6877 57.2687 40.3873 178.4573 168 F 4.0376 8.3887 120.6820 61.7652 39.4404 176.7374 169 V 3.6127 7.7306 118.3079 64.9232 31.2460 177.6441 170 I 3.5973 7.9435 112.6143 64.4715 37.1897 178.1906 171 G 3.5345 7.9875 105.4404 46.4651 0.0000 174.5641 172 A 4.3344 8.4389 122.2940 52.8996 19.4824 177.0323 173 M 4.3520 7.4741 116.8076 55.8431 32.2724 176.5531 174 Q 4.0666 7.7511 123.2779 56.2093 29.9419 175.2727 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 S 8.14 5.07 0.00 3.89 4.06 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 4 V 7.57 3.50 1.59 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 0.89 0.00 0.00 -0.38 0.00 0.00 5 V 7.60 3.48 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 0.95 0.00 0.00 0.90 0.00 0.00 6 T 7.48 3.79 4.19 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 1.17 0.00 0.00 7 K 7.66 4.03 0.00 1.91 1.77 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.14 4.15 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.52 3.59 1.83 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 1.37 0.89 0.86 0.00 0.00 10 V 7.16 3.53 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 0.81 0.00 0.00 0.96 0.00 0.00 11 N 7.79 4.42 0.00 3.02 2.84 0.00 0.00 7.02 6.93 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 12 A 8.49 3.98 1.38 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 0.00 0.00 13 D 8.57 4.29 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.57 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.07 4.35 0.00 1.95 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 2.22 2.27 0.00 16 A 7.46 3.76 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 17 R 7.81 4.76 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 18 Y 8.56 3.94 0.00 2.96 2.95 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 19 L 8.57 4.17 0.00 1.67 1.75 0.92 0.86 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 20 S 9.32 4.41 0.00 4.03 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 21 P 0.00 4.37 0.00 2.29 2.38 0.00 3.72 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 2.09 2.06 0.00 22 G 8.03 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 23 E 7.98 4.13 0.00 2.08 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 2.33 2.36 0.00 24 L 7.79 3.99 0.00 1.93 1.75 0.95 0.91 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 25 D 8.52 4.44 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.29 4.03 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 27 I 7.80 3.83 1.88 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 1.60 1.05 0.87 0.00 0.00 28 K 8.20 3.99 0.00 2.06 2.06 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 N 7.87 4.62 0.00 2.95 2.84 0.00 0.00 6.82 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 30 F 8.02 4.21 0.00 3.37 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.79 3.84 2.13 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 0.95 0.00 0.00 1.03 0.00 0.00 32 S 7.74 4.35 0.00 4.17 4.10 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 33 T 7.56 4.46 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 34 G 7.59 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.09 3.90 0.00 1.97 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 2.31 2.42 0.00 36 R 8.05 3.97 0.00 1.90 2.03 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 37 R 7.90 3.89 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 38 L 8.05 4.02 0.00 1.86 1.73 0.93 0.65 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 39 R 8.27 3.88 0.00 1.85 2.14 0.00 3.10 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 1.63 1.68 0.00 40 I 7.74 3.68 2.04 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 1.59 0.87 0.93 0.00 0.00 41 A 8.03 3.95 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 42 Q 8.22 3.89 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 43 T 8.13 4.00 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 1.30 0.00 0.00 44 L 7.95 4.05 0.00 1.91 1.76 1.10 0.68 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 45 T 8.06 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 46 E 7.74 4.44 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.64 0.00 47 N 7.74 4.95 0.00 2.73 2.79 0.00 0.00 6.88 7.66 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 48 R 7.87 3.92 0.00 2.02 2.35 0.00 2.80 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 49 E 8.12 4.01 0.00 1.96 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 2.32 2.36 0.00 50 R 7.87 4.04 0.00 1.85 1.96 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 51 I 7.86 3.65 1.89 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 1.40 0.98 0.94 0.00 0.00 52 V 7.35 3.51 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 0.79 0.00 0.00 0.99 0.00 0.00 53 K 8.05 3.96 0.00 1.86 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 Q 8.16 4.50 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.25 0.00 55 A 7.64 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.80 2.86 0.00 0.00 6.79 8.15 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 *75 A 7.47 4.24 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 76 Y 7.97 4.99 0.00 2.92 2.79 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 0.00 0.00 0.00 0.00 77 G 8.34 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 78 E 8.61 3.90 0.00 2.11 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 0.00 2.32 2.28 0.00 79 E 7.95 3.90 0.00 1.95 1.98 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 2.37 2.33 0.00 80 M 7.79 4.29 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 81 T 7.94 3.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 82 A 8.19 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 3.89 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 1.29 0.00 0.00 84 C 7.82 4.09 0.00 3.15 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 85 L 8.03 4.12 0.00 1.91 1.70 0.95 0.72 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 86 R 7.59 3.70 0.00 1.75 1.96 0.00 2.87 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.33 0.00 87 D 8.38 4.23 0.00 3.07 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 88 L 8.21 4.26 0.00 1.94 1.78 0.90 1.36 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 89 D 7.97 4.44 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 4.36 0.00 2.98 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 1.11 0.00 0.00 108 E 8.33 4.08 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 109 E 8.38 4.05 0.00 1.95 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 2.37 2.51 0.00 110 I 7.85 4.21 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.89 0.00 0.00 111 G 8.59 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.31 4.79 0.00 1.98 1.72 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.68 4.14 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 0.80 0.00 0.00 1.02 0.00 0.00 114 G 8.36 4.09 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 0.00 0.00 0.00 115 V 7.98 3.76 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.04 1.83 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.62 1.04 0.00 0.00 134 R 7.87 3.84 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 135 A 7.89 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 M 7.49 3.85 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.58 0.00 137 K 7.52 2.48 0.00 1.14 1.75 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.28 7.81 138 N 7.73 4.33 0.00 2.85 2.76 0.00 0.00 6.47 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 0.00 139 V 7.50 3.48 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 0.81 0.00 0.00 0.94 0.00 0.00 140 A 8.15 4.11 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 0.00 141 C 7.70 4.10 0.00 2.92 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 0.00 142 S 7.73 4.25 0.00 3.99 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 0.00 143 L 7.67 4.43 0.00 1.75 1.74 0.92 0.79 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 0.00 144 L 6.83 4.79 0.00 1.65 1.57 1.05 0.88 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 0.00 145 S 8.26 4.40 0.00 4.05 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 0.00 146 A 8.52 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.00 4.17 0.00 2.07 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 2.37 2.45 0.00 148 D 7.79 4.50 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.89 4.31 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.62 3.80 1.38 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 0.00 0.00 *161 E 7.96 4.39 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 2.51 2.46 0.00 162 A 7.75 4.42 1.59 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 0.00 163 G 8.32 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.08 4.09 0.00 3.70 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 0.00 165 Y 8.09 4.04 0.00 2.97 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 0.00 166 F 7.85 4.29 0.00 3.35 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 0.00 167 D 8.29 4.43 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.39 4.04 0.00 2.92 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 0.00 169 V 7.73 3.61 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 0.67 0.00 0.00 1.07 0.00 0.00 170 I 7.94 3.60 1.83 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 1.67 0.44 1.00 0.00 0.00 171 G 7.99 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 0.00 172 A 8.44 4.33 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 0.00 173 M 7.47 4.35 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 174 Q 7.75 4.07 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.