NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7579 8.3549 109.7264 44.5893 0.0000 175.3060 2 F 4.0907 8.5257 124.5868 55.0912 39.0668 172.2094 3 P 4.3735 0.0000 0.0000 62.3009 32.1866 175.9765 4 I 4.1498 8.4381 125.5800 59.8929 36.6196 174.3273 5 P 4.4831 0.0000 0.0000 62.9608 31.6654 175.8072 6 D 4.8142 8.4145 119.0870 51.9903 43.3444 173.3382 7 P 4.6659 0.0000 0.0000 62.6245 31.7722 176.5687 8 Y 4.7345 8.9608 121.8518 58.0538 36.5668 173.7505 9 V 4.5004 7.6856 122.4638 59.5547 34.7368 175.0619 10 W 2.5400 8.1878 135.0000 56.7333 31.2006 174.5603 11 D 4.8174 7.1252 123.4452 50.2507 42.0954 174.7017 12 P 3.7854 0.0000 0.0000 65.4873 31.3229 178.4194 13 S 4.1045 7.5200 110.4484 59.7166 62.7868 174.6602 14 F 4.1921 7.0768 118.9686 56.9882 39.2195 176.2690 15 R 4.2293 7.4451 121.2015 57.1887 30.0352 176.5875 16 T 4.0241 8.8571 112.2166 61.3284 69.8914 175.8112 17 F 4.0174 7.4671 119.2314 57.8653 37.0203 175.0135 18 Y 4.6596 7.3918 120.4011 55.9356 37.3449 176.5671 19 S 4.0071 8.3539 118.8769 61.1901 63.1922 175.4032 20 I 3.7081 7.8370 120.9438 64.1878 37.9521 177.7694 21 I 3.8331 8.1588 120.8797 64.3246 36.9525 178.1528 22 D 4.4005 7.9400 119.4807 57.1999 40.6374 178.3258 23 D 4.0581 7.9880 119.5389 57.2680 40.5480 178.6556 24 E 4.0964 8.0175 120.2467 58.9419 28.9983 178.9620 25 H 4.6691 7.8404 117.1231 57.7776 28.5555 177.9189 26 K 3.8532 7.4675 120.9648 59.3408 31.5384 179.4050 27 T 3.9256 7.6621 110.1039 64.4203 68.4417 176.4810 28 L 4.0089 7.9577 122.5781 57.4213 41.9433 178.8622 29 F 4.0225 8.0541 117.1146 60.2374 38.8875 177.0633 30 N 4.4316 8.1527 116.9212 56.6893 38.7619 177.0502 31 G 3.6607 7.9399 106.5684 48.0488 0.0000 175.7230 32 I 3.6513 7.5072 121.9845 63.8359 37.1229 178.0595 33 F 4.2122 8.6909 121.8676 61.8990 39.0543 177.0221 34 H 4.2930 8.3467 115.4538 58.6491 28.4583 177.3996 35 L 3.8713 7.9403 120.8476 57.9794 41.7873 178.8090 36 A 4.1301 7.8137 120.1089 55.2997 18.4575 179.4385 37 I 4.0117 6.9430 115.5971 63.3056 37.4394 176.0992 38 D 4.3195 8.3599 120.3429 53.2964 42.2737 174.8292 39 D 4.8093 8.8534 124.5075 55.1631 41.3351 175.8877 40 N 4.5246 8.4434 115.9542 52.7652 38.0235 175.5677 41 A 3.9290 8.7844 121.3775 55.9855 18.1250 179.9166 42 D 4.2779 8.0143 116.2199 56.9457 40.9875 178.3580 43 N 4.3900 7.9829 116.6819 55.5475 38.9438 177.0683 44 L 3.7629 8.1791 122.3053 57.7645 42.0615 179.1186 45 G 3.4918 8.1138 105.9964 47.8215 0.0000 174.8584 46 E 3.8528 7.7324 122.7241 58.8603 29.4764 178.8846 47 L 3.7758 7.7316 119.9276 58.1606 42.2088 178.6967 48 R 3.6414 8.2196 119.0124 59.6494 29.8492 178.0761 49 R 3.8341 8.1865 118.8617 59.4022 30.1341 177.9147 50 C 4.0640 8.1552 118.2488 62.6587 31.4829 176.0595 51 T 3.5764 8.0124 117.6242 66.5809 68.0688 176.9427 52 G 3.6812 8.1459 109.9250 48.0444 0.0000 176.5956 53 K 4.0155 8.0736 125.9744 60.0877 31.8435 181.6750 54 H 4.7610 8.5357 121.7296 58.5182 29.7403 177.3565 55 F 4.5764 8.6391 120.0488 60.6499 38.7092 177.4683 56 L 4.1118 8.2270 120.0250 58.2723 41.8032 178.6830 57 N 4.3318 8.8263 116.8941 56.2267 38.4519 176.8350 58 E 3.9806 8.4481 120.5082 58.7833 29.7045 178.6262 59 Q 4.2878 8.1538 118.4479 58.7240 28.5939 178.4413 60 V 3.6974 8.3034 121.8349 65.9859 31.2655 178.6767 61 L 4.0765 7.5418 122.3671 59.1646 40.7170 183.4650 62 M 4.0403 7.9410 119.0477 58.6303 32.1146 179.0109 63 Q 3.7402 8.2562 117.7823 58.2807 28.4603 178.6854 64 A 3.8854 7.2624 121.2688 55.3669 18.4099 178.6339 65 S 4.5705 7.4225 109.0598 57.9339 63.0601 174.5785 66 Q 3.1841 7.7077 117.4845 56.1646 26.6340 174.0481 67 Y 4.2770 7.9539 116.6534 58.2728 39.6245 175.9981 68 Q 3.6944 8.0919 127.6335 58.5501 29.3670 177.1192 69 F 4.9326 5.4971 116.5021 57.1595 39.2921 176.8546 70 Y 4.2246 7.9535 123.8966 60.9609 39.0630 175.6797 71 D 4.3195 8.3195 119.6214 57.5127 41.0766 178.3374 72 E 3.9872 8.3250 117.4076 60.0617 29.2342 178.4903 73 H 4.1957 7.9302 118.4875 58.3320 29.7821 177.3338 74 K 3.6620 7.6894 121.7839 59.1953 32.1098 178.6030 75 K 3.8853 8.2151 119.2283 59.7771 32.0139 178.6293 76 E 4.2152 8.1902 118.3513 60.1559 29.4768 179.2073 77 H 3.7804 7.9576 115.5439 59.0628 28.7254 177.7195 78 E 4.2000 8.8120 123.0004 60.2583 29.2180 180.2839 *79 T 3.8818 8.1251 114.6159 66.1661 68.6273 178.9980 80 F 4.3190 8.1900 123.5070 60.7838 39.1395 177.4698 81 I 3.6629 8.0687 119.8924 64.3501 36.7055 177.6543 82 H 4.0531 8.2416 117.8897 59.1854 29.9971 176.5688 83 A 4.0514 7.9177 122.4298 55.4762 17.9827 179.5364 84 L 3.5975 7.2134 115.5411 57.8554 41.7499 178.8975 85 D 4.6283 7.9599 115.9748 54.9005 41.6611 176.0338 86 N 5.0065 7.9847 117.1494 51.4369 39.6205 175.0804 87 W 4.5753 8.5398 129.8430 58.9363 31.3273 175.7642 88 K 4.0588 7.2404 125.2199 53.7524 32.1439 174.1805 89 G 3.6655 5.4789 105.3664 46.3747 0.0000 175.1980 90 D 4.4347 6.0500 123.3855 53.7457 39.3376 177.7278 91 V 4.1597 7.7585 123.3802 64.7406 32.0934 178.4996 92 K 4.2083 8.1586 116.6418 59.8254 31.8976 178.7284 93 W 4.4735 8.6873 129.2961 59.9094 30.5583 177.5280 94 A 4.4285 8.4558 120.2590 55.5562 17.3654 179.7928 95 K 3.5897 8.1876 117.9426 58.7756 31.8743 179.8056 96 S 4.2453 8.2304 114.6719 60.9913 63.1980 176.1333 97 W 3.7805 8.8242 133.0916 60.1945 29.9411 177.0243 98 Y 4.0375 8.2911 119.4420 60.8536 38.2498 178.4548 99 V 3.6147 7.5021 118.0133 66.2445 31.6446 177.8120 100 N 3.9513 7.9126 116.1132 55.9695 38.2615 177.0245 101 H 3.3682 7.7515 120.1355 59.0878 29.7877 177.0779 102 I 3.7369 6.7844 122.5447 63.8688 36.7606 178.6939 103 K 2.0000 6.9398 117.8597 57.9362 31.6663 178.5156 104 T 4.4115 7.1918 107.8220 61.5230 70.8101 175.3951 105 I 3.9923 7.4654 122.0698 62.8912 38.0828 177.7047 106 D 3.9489 7.3778 119.1200 57.1113 40.3244 178.4804 107 F 4.1561 8.3664 118.3598 60.3991 38.5703 177.9420 108 K 4.2053 7.4067 116.8368 59.2625 32.1342 178.0374 109 Y 4.6054 7.7693 115.9074 56.5429 38.0858 175.5216 110 K 4.5891 7.3814 121.0237 58.3163 32.4403 177.5922 111 G 4.0931 9.6665 112.3776 45.8164 0.0000 173.9361 112 K 4.6853 8.4855 117.8696 55.9641 33.0548 176.3373 113 I 4.1146 7.5930 118.0872 60.9716 37.6042 174.9802 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 1 G 8.35 3.76 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 0.00 0.00 0.00 2 F 8.53 4.09 0.00 3.28 2.86 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 3 P 0.00 4.37 0.00 2.25 2.13 0.00 3.97 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 4 I 8.44 4.15 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 1.14 0.00 0.00 5 P 0.00 4.48 0.00 2.28 2.17 0.00 4.02 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 6 D 8.41 4.81 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.51 2.33 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 2.06 2.05 0.00 8 Y 8.96 4.73 0.00 3.11 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 9 V 7.69 4.50 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 0.78 0.00 0.00 0.81 0.00 0.00 10 W 8.19 2.54 0.00 2.09 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 11 D 7.13 4.82 0.00 2.70 2.54 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 12 P 0.00 3.79 0.00 2.07 2.12 0.00 3.44 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 2.10 2.17 0.00 13 S 7.52 4.10 0.00 3.75 3.79 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 14 F 7.08 4.19 0.00 1.97 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 15 R 7.45 4.23 0.00 1.46 0.90 0.00 3.14 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 16 T 8.86 4.02 4.70 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 1.59 0.00 0.00 17 F 7.47 4.02 0.00 2.93 3.12 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 18 Y 7.39 4.66 0.00 3.15 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 19 S 8.35 4.01 0.00 3.93 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 20 I 7.84 3.71 1.88 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 1.64 1.06 0.93 0.00 0.00 21 I 8.16 3.83 2.24 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 1.16 0.00 0.00 22 D 7.94 4.40 0.00 2.70 2.39 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 23 D 7.99 4.06 0.00 2.79 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 24 E 8.02 4.10 0.00 2.28 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 0.00 2.35 2.46 0.00 25 H 7.84 4.67 0.00 3.26 3.60 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.47 3.85 0.00 1.72 1.59 0.00 1.24 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 0.46 7.81 27 T 7.66 3.93 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 1.19 0.00 0.00 28 L 7.96 4.01 0.00 1.97 1.43 0.83 0.04 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 29 F 8.05 4.02 0.00 3.45 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 30 N 8.15 4.43 0.00 2.97 2.98 0.00 0.00 7.09 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 31 G 7.94 3.66 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 0.00 0.00 0.00 32 I 7.51 3.65 1.88 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.63 0.00 0.00 33 F 8.69 4.21 0.00 3.53 3.28 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 34 H 8.35 4.29 0.00 3.50 3.34 0.00 5.88 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 35 L 7.94 3.87 0.00 1.75 1.79 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.81 4.13 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 37 I 6.94 4.01 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.84 0.00 0.00 38 D 8.36 4.32 0.00 2.60 2.50 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 39 D 8.85 4.81 0.00 2.88 2.72 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 40 N 8.44 4.52 0.00 2.93 3.04 0.00 0.00 6.83 7.89 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 41 A 8.78 3.93 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 42 D 8.01 4.28 0.00 2.71 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 43 N 7.98 4.39 0.00 2.93 2.81 0.00 0.00 6.81 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 44 L 8.18 3.76 0.00 1.52 1.75 0.22 1.14 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 45 G 8.11 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 46 E 7.73 3.85 0.00 2.13 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 0.00 2.30 2.35 0.00 47 L 7.73 3.78 0.00 1.65 1.55 0.75 0.59 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 48 R 8.22 3.64 0.00 1.77 2.01 0.00 3.06 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 49 R 8.19 3.83 0.00 1.95 1.98 0.00 3.13 0.00 0.00 3.06 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 50 C 8.16 4.06 0.00 3.00 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 51 T 8.01 3.58 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 0.61 0.00 0.00 52 G 8.15 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 0.00 0.00 0.00 53 K 8.07 4.02 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 54 H 8.54 4.76 0.00 3.27 3.57 0.00 5.80 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 55 F 8.64 4.58 0.00 3.30 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 56 L 8.23 4.11 0.00 2.00 1.90 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.83 4.33 0.00 2.98 2.86 0.00 0.00 6.68 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 58 E 8.45 3.98 0.00 2.12 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 0.00 2.29 2.22 0.00 59 Q 8.15 4.29 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.77 0.00 60 V 8.30 3.70 2.27 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 0.96 0.00 0.00 0.97 0.00 0.00 61 L 7.54 4.08 0.00 1.65 1.65 0.92 1.15 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 62 M 7.94 4.04 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.06 0.00 63 Q 8.26 3.74 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.00 64 A 7.26 3.89 1.34 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 0.00 0.00 0.00 65 S 7.42 4.57 0.00 3.84 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 66 Q 7.71 3.18 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 67 Y 7.95 4.28 0.00 2.98 3.05 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 68 Q 8.09 3.69 0.00 1.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.29 0.00 0.00 0.00 0.00 0.00 1.31 1.93 0.00 69 F 5.50 4.93 0.00 3.14 2.90 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 70 Y 7.95 4.22 0.00 3.29 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 71 D 8.32 4.32 0.00 2.81 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 72 E 8.33 3.99 0.00 2.21 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 0.00 2.63 2.40 0.00 73 H 7.93 4.20 0.00 3.51 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.69 3.66 0.00 1.46 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.38 7.81 75 K 8.22 3.89 0.00 1.96 1.93 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.69 7.81 76 E 8.19 4.22 0.00 2.23 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 2.57 2.44 0.00 77 H 7.96 3.78 0.00 3.16 2.96 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.81 4.20 0.00 2.25 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 2.41 2.56 0.00 *79 T 8.13 3.88 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 80 F 8.19 4.32 0.00 1.51 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 81 I 8.07 3.66 2.13 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 2.11 1.10 0.95 0.00 0.00 82 H 8.24 4.05 0.00 3.27 3.60 0.00 5.97 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.92 4.05 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 84 L 7.21 3.60 0.00 1.54 1.39 0.42 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.96 4.63 0.00 2.67 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 86 N 7.98 5.01 0.00 2.56 2.61 0.00 0.00 6.86 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 87 W 8.54 4.58 0.00 3.36 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 88 K 7.24 4.06 0.00 1.68 1.70 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 0.96 7.81 89 G 5.48 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 90 D 6.05 4.43 0.00 2.42 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 0.00 0.00 0.00 0.00 91 V 7.76 4.16 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 0.80 0.00 0.00 0.93 0.00 0.00 92 K 8.16 4.21 0.00 2.04 1.97 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.54 7.81 93 W 8.69 4.47 0.00 3.46 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 94 A 8.46 4.43 1.71 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 0.00 0.00 95 K 8.19 3.59 0.00 1.90 1.66 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.20 7.81 96 S 8.23 4.25 0.00 4.11 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 0.00 97 W 8.82 3.78 0.00 2.00 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 98 Y 8.29 4.04 0.00 3.05 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 99 V 7.50 3.61 2.27 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 0.98 0.00 0.00 1.24 0.00 0.00 100 N 7.91 3.95 0.00 2.85 2.63 0.00 0.00 6.69 8.25 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 0.00 101 H 7.75 3.37 0.00 1.73 2.77 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.78 3.74 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.90 0.00 0.00 103 K 6.94 2.00 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.30 7.81 104 T 7.19 4.41 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 1.36 0.00 0.00 105 I 7.47 3.99 1.34 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.35 0.00 0.00 106 D 7.38 3.95 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.16 0.00 2.95 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 0.00 108 K 7.41 4.21 0.00 2.12 2.12 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.63 7.81 109 Y 7.77 4.61 0.00 2.61 2.46 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 0.00 110 K 7.38 4.59 0.00 1.87 1.89 0.00 1.86 0.00 0.00 1.26 0.00 0.00 2.27 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.70 1.42 7.81 111 G 9.67 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 0.00 112 K 8.49 4.69 0.00 2.24 2.23 0.00 2.02 0.00 0.00 2.19 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.55 7.81 113 I 7.59 4.11 1.59 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.24 0.56 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.