NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2389 8.2993 119.9917 55.3877 33.9345 174.8852 4 P 4.3814 0.0000 0.0000 62.1190 31.3006 173.9385 5 I 4.4746 8.8520 116.9338 59.1028 41.5037 174.7181 6 E 4.9749 8.5432 123.1464 55.0217 30.6641 175.3004 7 V 4.9011 8.6787 119.6143 59.8593 35.3666 174.7078 8 T 4.8463 9.1886 112.6811 59.4492 71.9459 174.3468 9 D 4.4498 8.5849 119.8289 56.7425 41.3249 177.3511 10 Q 4.1264 8.2401 119.5217 58.2621 29.3685 176.4724 11 N 4.8887 8.0114 112.9855 52.3510 37.7574 175.9604 12 F 3.9953 8.4093 124.6465 62.0640 39.4480 176.7832 13 D 4.2705 8.2102 117.6224 57.2983 40.4985 178.3541 14 E 3.9223 8.1003 117.4223 59.7630 29.8585 179.0368 15 T 3.9714 7.9026 115.5541 66.8352 68.3397 176.7459 16 L 3.9218 7.3753 119.1993 57.2317 41.5918 179.1862 17 G 3.7765 7.7622 104.0263 46.1285 0.0000 174.8728 18 Q 4.3615 7.6012 117.9181 55.5021 29.7075 175.1903 19 H 4.9252 7.4982 116.6694 52.8597 32.2726 171.7312 20 P 4.5891 0.0000 0.0000 65.3183 32.7612 175.7555 21 L 5.1269 7.8463 122.0752 53.3126 45.3310 175.1450 22 V 4.8504 8.9673 126.6665 60.9783 34.9073 173.7807 23 L 4.9848 9.1405 130.7315 53.7687 43.5906 174.9194 24 V 4.7308 9.0537 128.0157 61.3573 33.7277 173.8347 25 D 5.0664 9.2754 128.7922 52.8287 42.6837 175.1875 26 F 5.0915 9.4151 127.0660 56.6803 40.2116 175.1897 27 W 5.3256 9.1452 120.5585 55.5545 32.4183 173.2983 28 A 3.7091 7.9849 118.6620 50.3434 21.2401 177.5097 29 E 4.0549 8.1306 120.1884 59.2766 29.6720 178.5487 30 W 4.3908 7.4399 112.2331 57.0989 28.8475 176.1797 31 C 4.5952 7.4683 120.6048 55.0264 43.0891 173.8023 32 A 4.0269 8.8571 130.7612 54.9857 18.2407 176.6173 33 P 4.4362 0.0000 0.0000 65.9787 31.7858 178.7257 34 C 4.5157 8.3680 115.2478 60.2330 40.2192 177.5926 35 R 3.9036 7.4818 118.1451 55.8838 28.8154 177.7877 *37 I 4.0382 7.8751 111.6128 60.3539 39.7447 176.9171 38 A 3.7714 7.5777 124.2707 55.0302 18.2348 177.8027 39 P 4.5583 0.0000 0.0000 65.4230 31.2507 178.5996 40 I 3.7228 7.5043 119.2984 64.2044 37.0218 178.1013 41 L 3.9131 8.0881 120.0643 57.3298 41.2270 179.3526 42 E 3.9003 7.9206 119.0175 59.2672 29.3112 179.0861 43 E 3.9477 8.0576 118.3761 59.3550 29.6176 179.4095 44 I 3.7396 7.7438 119.7416 64.1725 36.9150 178.2477 45 A 4.0328 7.8776 120.8296 55.1630 18.5492 179.6424 46 K 4.0292 7.8802 116.5625 59.6708 31.9790 179.1868 47 E 3.7950 8.0047 118.1964 58.5188 29.4878 177.0148 48 Y 4.6992 7.4436 113.9351 57.2315 38.5482 174.6686 49 E 4.0015 7.8485 121.5138 58.1061 29.9486 175.5656 50 G 4.2629 9.2045 114.2990 45.6105 0.0000 174.2359 51 K 4.5203 8.1183 116.0286 55.9190 33.6673 175.7578 52 L 4.9705 7.6482 119.5415 53.2800 45.5869 174.4802 53 L 4.7143 8.7857 126.7920 53.2161 44.8884 174.8928 54 V 4.7912 8.3299 125.5087 61.2788 33.6212 174.1123 55 A 5.1880 9.1898 129.1378 50.0254 22.8203 174.5335 56 K 4.8879 9.2975 119.7540 54.4125 35.5733 175.1620 57 L 4.7690 9.2633 126.8808 53.0072 44.6065 175.1682 58 D 4.1509 8.6074 127.3587 53.5150 41.0766 177.3576 59 V 3.7717 8.1571 121.8893 64.2725 31.8843 177.8473 60 D 4.5002 8.3277 119.8713 56.9637 40.7329 177.1859 61 E 4.1832 8.1595 117.7679 57.4210 30.7338 175.6389 62 N 5.1275 7.8535 115.5740 51.2346 39.1807 173.4890 63 P 4.3328 0.0000 0.0000 65.6951 32.1491 179.6428 64 K 4.0736 7.9429 117.3239 59.2621 32.2322 178.3444 65 T 3.9880 7.8860 115.5872 66.3466 68.7137 176.6916 66 A 4.1999 7.6582 121.6633 52.7926 17.8678 179.1206 *68 R 4.0244 8.1079 120.2922 57.9064 31.4580 175.9333 69 Y 4.3671 7.6314 111.2028 56.8191 38.2968 175.7167 70 R 3.7210 7.7051 117.3988 57.0730 27.7585 176.3692 71 V 3.7968 7.8556 116.2602 61.6598 32.8196 175.0940 *73 S 4.3105 8.3514 119.6258 58.0966 63.8272 173.0621 74 I 4.7840 8.1490 117.5627 57.7784 40.5978 173.1578 75 P 4.8455 0.0000 0.0000 63.2967 32.9766 175.1484 76 T 5.0988 8.6837 118.1059 61.9826 72.5478 172.8131 77 V 5.0474 9.2473 126.8102 61.1942 34.3884 174.2037 78 I 4.9691 9.0134 128.1953 59.4264 40.5634 173.9943 79 L 5.0553 8.6893 129.2767 53.6047 43.9819 174.8774 80 F 5.1704 9.4072 125.1515 55.4644 42.1649 174.1016 81 K 4.7688 9.3679 125.2388 54.9137 34.3897 175.8503 82 D 4.4079 10.3155 130.2134 55.5388 38.8545 175.1061 83 G 4.0058 8.3565 104.7611 45.6453 0.0000 173.4440 84 Q 4.8738 7.9382 119.7662 52.9987 30.8340 173.3504 85 P 4.0196 0.0000 0.0000 62.8546 31.8237 176.3567 86 V 4.4127 8.5501 113.9225 61.1430 34.2320 175.6178 87 E 4.7762 7.7377 118.2045 54.7072 34.1713 174.3601 88 V 4.8264 8.2714 121.2886 61.1564 35.0678 174.5862 89 L 4.6701 9.2743 127.1050 53.0585 44.6821 175.4398 90 V 4.3253 8.5705 124.5805 62.5417 32.7029 176.8595 91 G 3.9923 9.4213 112.7599 44.9970 0.0000 172.6736 92 A 4.2747 8.2907 122.0121 51.9582 18.6268 177.1800 93 Q 4.7303 8.2952 120.8716 52.9677 32.7878 173.8505 94 P 4.5139 0.0000 0.0000 62.3357 32.3207 177.1130 95 K 4.1307 8.9976 120.9646 60.1614 31.8435 179.0047 96 R 4.4728 8.0358 116.9226 58.9703 28.9715 178.4749 97 N 4.2632 8.1613 117.0933 56.1767 38.3976 177.0535 98 Y 4.0866 7.6779 117.7780 60.9870 38.0740 177.8992 99 Q 4.1644 8.4937 118.8697 58.9284 28.7357 178.5822 100 A 3.9879 8.1486 121.6967 55.5317 18.2513 180.0213 101 K 3.9889 7.5836 114.9739 59.0493 32.2737 179.7494 102 I 3.8035 7.7920 120.6174 64.4521 37.1316 178.2472 103 E 3.9651 8.2885 118.9880 58.5812 29.0270 178.8633 104 K 4.1105 7.6011 118.9140 58.3598 32.1493 176.5992 105 H 4.7690 7.5664 114.2970 55.3947 30.2338 173.4001 106 L 4.0194 8.0235 125.8140 55.3252 41.8873 174.3765 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 K 8.30 4.24 0.00 1.83 1.85 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 4 P 0.00 4.38 0.00 2.04 2.03 0.00 3.65 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 1.90 1.91 0.00 5 I 8.85 4.47 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.91 0.00 0.00 6 E 8.54 4.97 0.00 2.03 1.89 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 2.27 2.41 0.00 7 V 8.68 4.90 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 0.69 0.00 0.00 1.07 0.00 0.00 8 T 9.19 4.85 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 D 8.58 4.45 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 10 Q 8.24 4.13 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 N 8.01 4.89 0.00 3.01 3.01 0.00 0.00 6.62 9.00 0.00 0.00 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 F 8.41 4.00 0.00 3.39 3.15 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 13 D 8.21 4.27 0.00 2.78 2.73 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 14 E 8.10 3.92 0.00 2.02 2.01 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 2.32 2.42 0.00 15 T 7.90 3.97 4.12 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 1.03 0.00 0.00 16 L 7.38 3.92 0.00 1.46 1.45 -0.32 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.76 3.78 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 0.00 0.00 0.00 18 Q 7.60 4.36 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.53 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 19 H 7.50 4.93 0.00 2.99 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.59 0.00 2.12 2.31 0.00 3.65 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 2.08 1.97 0.00 21 L 7.85 5.13 0.00 1.72 1.65 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.97 4.85 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 0.85 0.00 0.00 0.85 0.00 0.00 23 L 9.14 4.98 0.00 1.75 1.51 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.05 4.73 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 0.73 0.00 0.00 0.81 0.00 0.00 25 D 9.28 5.07 0.00 2.73 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 26 F 9.42 5.09 0.00 3.23 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 27 W 9.15 5.33 0.00 3.41 3.25 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 28 A 7.98 3.71 0.07 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 0.00 0.00 29 E 8.13 4.05 0.00 1.94 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 2.10 2.26 0.00 30 W 7.44 4.39 0.00 3.53 3.22 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 0.00 0.00 0.00 31 C 7.47 4.60 0.00 2.13 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 32 A 8.86 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.10 2.19 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 34 C 8.37 4.52 0.00 3.26 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 35 R 7.48 3.90 0.00 2.03 1.97 0.00 3.22 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 *37 I 7.88 4.04 1.79 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 1.62 1.15 1.02 0.00 0.00 38 A 7.58 3.77 1.16 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 0.00 0.00 39 P 0.00 4.56 0.00 2.23 2.27 0.00 3.84 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 2.03 1.88 0.00 40 I 7.50 3.72 1.98 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 1.65 0.60 0.92 0.00 0.00 41 L 8.09 3.91 0.00 1.61 1.53 0.75 0.17 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 42 E 7.92 3.90 0.00 2.12 1.92 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 2.21 2.45 0.00 43 E 8.06 3.95 0.00 2.22 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 2.29 2.46 0.00 44 I 7.74 3.74 1.93 0.00 0.00 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 1.68 1.20 1.08 0.00 0.00 45 A 7.88 4.03 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 46 K 7.88 4.03 0.00 1.80 1.82 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 47 E 8.00 3.79 0.00 1.70 1.72 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 1.47 1.81 0.00 48 Y 7.44 4.70 0.00 3.19 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 49 E 7.85 4.00 0.00 2.15 1.89 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 2.34 2.29 0.00 50 G 9.20 4.26 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 0.00 0.00 0.00 51 K 8.12 4.52 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 52 L 7.65 4.97 0.00 1.54 1.68 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.79 4.71 0.00 1.70 1.35 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.33 4.79 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 0.91 0.00 0.00 0.91 0.00 0.00 55 A 9.19 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.30 4.89 0.00 1.65 1.60 0.00 1.28 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.12 1.19 7.81 57 L 9.26 4.77 0.00 1.32 0.97 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.61 4.15 0.00 2.43 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 59 V 8.16 3.77 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 0.87 0.00 0.00 0.95 0.00 0.00 60 D 8.33 4.50 0.00 2.76 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 61 E 8.16 4.18 0.00 1.85 1.91 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 2.25 2.37 0.00 62 N 7.85 5.13 0.00 2.83 2.66 0.00 0.00 6.57 8.06 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 63 P 0.00 4.33 0.00 2.22 2.32 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 64 K 7.94 4.07 0.00 1.76 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.46 7.81 65 T 7.89 3.99 4.30 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 0.66 0.00 0.00 66 A 7.66 4.20 1.41 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 0.00 0.00 *68 R 8.11 4.02 0.00 1.88 2.10 0.00 3.16 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.39 0.00 69 Y 7.63 4.37 0.00 2.85 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 70 R 7.71 3.72 0.00 1.90 1.95 0.00 3.18 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 71 V 7.86 3.80 1.75 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 0.60 0.00 0.00 0.13 0.00 0.00 *73 S 8.35 4.31 0.00 4.09 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 74 I 8.15 4.78 1.90 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 1.04 0.00 0.00 75 P 0.00 4.85 0.00 2.24 2.29 0.00 3.69 0.00 0.00 3.81 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 76 T 8.68 5.10 4.26 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 1.16 0.00 0.00 77 V 9.25 5.05 2.36 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 1.05 0.00 0.00 1.06 0.00 0.00 78 I 9.01 4.97 2.10 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 1.07 0.68 0.27 0.00 0.00 79 L 8.69 5.06 0.00 1.74 1.43 0.90 1.04 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 80 F 9.41 5.17 0.00 2.85 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 81 K 9.37 4.77 0.00 1.68 1.60 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 82 D 10.32 4.41 0.00 2.77 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 G 8.36 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 0.00 0.00 0.00 84 Q 7.94 4.87 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 85 P 0.00 4.02 0.00 1.92 1.43 0.00 3.87 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 86 V 8.55 4.41 1.92 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 0.69 0.00 0.00 0.67 0.00 0.00 87 E 7.74 4.78 0.00 1.79 1.75 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 2.27 2.30 0.00 88 V 8.27 4.83 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 0.80 0.00 0.00 0.87 0.00 0.00 89 L 9.27 4.67 0.00 1.70 1.44 1.01 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.57 4.33 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 0.93 0.00 0.00 91 G 9.42 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 0.00 0.00 0.00 92 A 8.29 4.27 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 93 Q 8.30 4.73 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 94 P 0.00 4.51 0.00 2.24 2.20 0.00 3.68 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 2.04 1.94 0.00 95 K 9.00 4.13 0.00 1.92 1.94 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.65 7.81 96 R 8.04 4.47 0.00 2.09 2.21 0.00 3.18 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 97 N 8.16 4.26 0.00 2.55 2.68 0.00 0.00 6.95 7.62 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 98 Y 7.68 4.09 0.00 3.23 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 99 Q 8.49 4.16 0.00 2.36 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 100 A 8.15 3.99 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 0.00 101 K 7.58 3.99 0.00 1.71 1.90 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 102 I 7.79 3.80 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.10 0.00 0.00 103 E 8.29 3.97 0.00 2.02 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 2.48 2.63 0.00 104 K 7.60 4.11 0.00 1.88 1.91 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.39 7.81 105 H 7.57 4.77 0.00 3.20 3.20 0.00 5.80 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.02 4.02 0.00 1.82 1.72 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.