NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4075 8.3349 115.2944 58.5144 63.5686 173.1154 4 N 4.7639 8.4535 122.2833 52.5659 38.9552 175.3775 5 Q 3.9819 9.3130 124.4618 59.5194 29.8927 178.3107 6 T 3.8898 7.8422 116.2207 66.7554 68.6486 176.7490 7 V 3.6202 7.7058 119.6312 65.9600 31.5484 177.0493 8 Y 3.4838 8.0339 119.6319 60.8963 38.5469 178.4135 9 Q 4.0524 8.5675 119.0976 58.6917 28.5400 178.3630 10 F 3.8003 8.0480 121.2027 61.1590 39.7166 176.9417 11 I 3.7688 7.9415 119.1594 64.4331 36.7274 178.3113 12 A 3.8355 7.6716 120.3787 54.9347 18.2634 178.8625 13 E 4.1491 8.0162 114.9547 57.4057 30.0132 176.7629 14 N 4.8809 7.5875 117.1849 52.1814 40.3612 176.9291 15 Q 3.8259 8.1859 119.4578 59.0978 28.8509 177.6708 16 N 4.2368 7.9021 117.5898 56.5364 39.1112 176.4113 17 E 3.8355 7.9102 120.3031 59.2193 29.7433 178.6680 18 L 3.2924 7.7862 119.1521 57.0341 41.3961 179.0561 19 L 3.9000 7.7511 120.4400 58.1815 42.0251 178.7220 20 Q 3.9185 7.8815 119.2836 59.2223 28.9957 178.1325 21 L 3.8938 7.7303 121.1116 58.0490 42.1033 179.0302 22 W 4.1784 8.0155 118.9166 59.7686 29.0015 178.5995 23 T 4.0458 8.3441 116.2050 67.0830 67.8770 176.3478 24 D 4.4474 8.2425 120.5666 57.3231 40.6930 178.9075 25 T 3.8875 8.1417 116.4531 66.7082 68.4566 176.3800 26 L 3.9348 8.1410 120.6865 57.8628 41.5292 179.8639 27 K 3.6634 8.0339 118.2092 59.3231 31.7656 179.0735 28 E 3.9294 8.1430 118.6136 59.2924 29.8657 178.5539 29 L 4.1198 8.2067 119.6304 57.6925 41.5651 179.5920 30 S 4.3294 8.5269 114.3555 61.2131 62.5882 176.2816 31 E 3.9854 7.8250 121.7237 58.9316 29.1964 178.1257 32 Q 4.4041 7.8836 115.7736 55.1468 29.2198 175.0506 33 E 4.6329 7.5026 120.1677 54.2798 32.0491 176.4641 34 S 4.2616 8.3616 116.2182 61.4450 62.9449 174.2717 35 Y 4.9254 6.7244 114.6804 55.4500 40.9017 173.7381 36 Q 4.7641 8.6977 118.9309 53.8347 30.8927 176.0769 37 L 4.2371 8.7411 123.1698 54.7341 42.4535 176.3460 38 T 4.4701 7.8671 110.0944 60.7119 70.3790 175.5935 39 D 4.5779 8.5905 121.0439 57.5392 40.6575 178.7830 40 Q 3.9763 8.0721 119.7781 58.8813 29.0793 178.2137 41 V 3.5081 7.4617 119.4002 66.3990 31.5080 177.7824 42 Y 4.4685 7.6185 115.8058 60.9196 37.7353 177.8244 43 E 4.4217 8.5743 122.0667 58.8048 29.7050 178.5880 44 N 4.4003 8.4585 116.6396 56.3368 38.5500 177.1374 45 I 3.8492 7.8980 121.1758 64.8395 37.3380 178.3740 46 S 4.4277 8.5287 115.7813 61.8442 62.6720 176.9301 47 K 4.0991 8.4584 122.1724 59.4511 31.4944 178.4771 48 E 4.0206 8.6184 119.8526 59.4277 29.5240 178.1391 49 Y 4.2298 8.5724 119.8100 60.9245 38.8454 178.1655 50 I 3.9171 8.2656 120.7374 64.5179 36.9851 178.1003 51 D 4.3933 8.3956 119.2736 57.3816 41.0664 178.5325 52 I 3.8383 7.7252 120.1686 64.4244 37.1436 178.2570 53 L 3.9173 7.8705 119.7223 58.0138 41.3318 179.6441 54 L 4.2532 8.0288 116.8022 56.8641 41.6396 178.6038 55 L 4.4530 7.6844 117.1668 55.5213 41.8616 177.3035 56 S 5.2738 8.2300 115.1089 57.2403 63.3901 176.6384 57 V 3.8883 8.1279 122.9626 64.7040 31.2061 177.3735 58 K 4.0563 8.0098 120.6776 57.5666 32.7334 175.7548 59 D 4.3966 6.9809 115.6958 53.1858 41.8097 175.3821 60 E 4.2511 8.3360 115.5675 57.6579 30.3489 178.1342 61 N 4.5353 8.8540 118.8102 56.3187 38.8925 177.1960 62 A 3.9264 8.0777 119.6858 54.9741 18.7060 177.9205 63 A 5.2166 7.4015 118.6355 51.5928 19.5848 178.9777 64 E 3.8627 7.8436 124.0380 61.3148 29.5806 179.0156 65 S 4.1798 7.9894 113.4761 61.4618 63.3360 176.2349 66 Q 3.9900 8.0049 121.2022 58.6253 28.4597 178.4196 67 I 3.7071 8.1547 121.2664 64.5471 37.2341 178.3722 68 S 4.0956 8.0570 113.8141 61.3805 62.2122 175.9615 69 E 3.9560 8.3987 121.3677 59.3754 29.1705 179.1433 70 L 4.1784 8.3452 121.3046 57.5687 42.1880 178.7857 71 A 4.1321 8.3605 121.0234 55.1652 18.2811 179.1966 72 L 3.6825 7.9470 118.8112 58.3262 42.0310 179.2050 73 R 3.8220 8.1376 118.2605 59.2438 30.0217 178.0858 74 A 4.0915 8.3489 120.9376 55.3278 18.4121 179.5461 75 V 3.4296 7.5633 116.4731 66.5168 31.2697 178.3639 76 Q 3.9938 8.0179 116.5882 58.6113 28.6813 178.0464 77 I 4.1061 7.8722 112.0433 61.7074 37.9693 176.7366 78 G 4.0357 7.6747 108.7585 45.4483 0.0000 173.4453 79 L 4.0858 7.7374 120.2568 54.2733 43.0100 177.7739 80 S 5.1189 8.1383 123.4027 57.3695 62.6509 176.0799 *82 K 3.9602 8.8042 116.7200 56.1906 33.5492 177.1476 83 F 3.8002 8.3391 120.2965 61.1654 39.1760 176.5416 84 L 3.8507 8.2600 119.8221 58.3673 41.8688 178.9404 85 A 3.9777 7.5903 119.9175 55.2267 18.2636 179.6234 86 T 3.5921 7.7807 114.1252 66.5602 68.4143 176.7938 87 A 3.4648 7.5546 122.8239 54.9835 17.9894 179.7139 88 L 3.0065 7.6211 117.4460 57.2838 41.4612 179.5835 89 A 4.0954 7.8529 120.7507 55.3765 18.3902 179.5312 90 E 3.6262 7.8712 116.9141 59.3443 29.5647 179.4272 91 F 4.2143 8.1053 118.4515 60.4899 38.8677 177.6736 92 W 4.1599 7.5194 115.4231 58.9208 28.1901 178.7588 93 K 3.4235 6.7538 119.3085 59.0708 31.3221 179.3531 94 R 4.1050 8.1130 118.1159 58.4381 29.7789 178.8259 95 L 4.0555 7.7951 119.6381 58.1117 42.2509 177.5916 96 Y 4.3336 8.0850 118.5491 61.3114 38.8279 177.9322 97 T 3.8124 7.8466 116.0866 66.7010 68.3720 177.0588 98 K 3.8766 7.4041 114.4257 57.7125 32.0451 177.3394 *100 N 4.4262 8.0660 119.3505 53.4688 40.3442 174.4621 101 D 4.7644 7.5045 116.7303 54.0204 40.6516 176.8335 102 K 4.4706 7.5035 114.6866 56.0981 34.2479 176.0617 *108 E 4.1517 7.9649 118.4805 56.5356 31.6008 176.6784 109 S 4.2816 8.6487 118.9031 62.1370 62.9697 177.3396 110 T 3.6855 8.2713 118.3370 66.5887 68.2122 176.4833 111 E 4.1584 8.2582 120.0176 59.4572 29.5491 178.9634 112 L 4.2578 7.7946 121.2136 57.6973 42.0517 178.9951 113 I 3.6197 8.0027 119.9686 64.3733 36.9078 178.5143 114 W 4.5399 7.9151 119.4110 59.5582 28.9317 178.7907 115 Q 4.1289 8.4799 118.5060 58.9495 28.0815 178.7943 116 I 4.1120 8.0163 120.8140 64.5775 37.1571 177.9557 117 D 4.0143 8.2938 119.1708 57.3321 40.7916 178.2340 118 R 3.8947 8.2938 118.5818 59.2059 30.0739 178.1289 119 F 4.1847 7.9415 119.7789 61.3242 39.7286 177.0374 120 F 4.1365 8.5967 117.5179 60.0296 38.7441 177.8927 121 S 4.0475 8.3334 113.3823 60.9337 62.1218 174.5949 122 P 4.2674 0.0000 0.0000 65.1045 30.9208 178.4853 123 I 3.5460 7.4177 119.1877 64.3763 37.0753 177.8615 124 N 4.0519 8.2691 117.7353 56.4231 37.9422 177.6460 125 T 3.6411 7.8500 111.2387 64.5964 68.6795 176.2209 126 E 3.9980 7.7737 122.2008 58.8521 29.5906 178.5579 127 I 3.7292 7.7083 119.9791 64.5404 37.2193 178.0898 128 F 4.5330 7.8840 118.5381 60.9002 38.8343 177.2452 129 N 4.4111 8.4305 116.3591 57.0747 38.7795 176.9530 130 Q 4.2123 8.4763 119.4700 58.7721 28.0364 177.8216 131 Y 4.0641 8.4405 120.9642 60.9321 38.8572 178.2997 132 S 4.5104 8.4831 113.8218 61.7671 62.3911 176.2605 133 I 3.8359 8.2864 121.3539 64.1475 36.7904 178.0804 134 S 4.1411 7.9115 115.7575 61.4618 62.6802 176.3624 135 W 4.4757 7.2437 116.6343 59.1578 29.2700 176.6581 136 E 4.3326 8.4270 122.7199 56.7784 29.2379 176.2856 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 8.33 4.41 0.00 3.85 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 4 N 8.45 4.76 0.00 3.21 3.07 0.00 0.00 6.64 6.85 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 5 Q 9.31 3.98 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 6 T 7.84 3.89 4.28 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 1.25 0.00 0.00 7 V 7.71 3.62 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 0.91 0.00 0.00 1.02 0.00 0.00 8 Y 8.03 3.48 0.00 3.02 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 9 Q 8.57 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 10 F 8.05 3.80 0.00 3.08 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 11 I 7.94 3.77 1.73 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 1.75 0.81 0.87 0.00 0.00 12 A 7.67 3.84 1.19 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 0.00 0.00 13 E 8.02 4.15 0.00 1.74 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 2.25 2.34 0.00 14 N 7.59 4.88 0.00 2.23 2.36 0.00 0.00 6.88 7.96 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 15 Q 8.19 3.83 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 16 N 7.90 4.24 0.00 2.69 2.73 0.00 0.00 6.81 7.65 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 17 E 7.91 3.84 0.00 1.95 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 2.30 0.00 18 L 7.79 3.29 0.00 1.17 0.16 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.75 3.90 0.00 1.80 1.87 1.03 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 20 Q 7.88 3.92 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 21 L 7.73 3.89 0.00 1.72 1.48 0.91 0.85 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 22 W 8.02 4.18 0.00 3.16 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 0.00 0.00 0.00 23 T 8.34 4.05 4.45 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 1.35 0.00 0.00 24 D 8.24 4.45 0.00 2.89 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 25 T 8.14 3.89 4.68 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 1.34 0.00 0.00 26 L 8.14 3.93 0.00 1.89 1.40 1.34 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.03 3.66 0.00 1.94 1.86 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.59 7.81 28 E 8.14 3.93 0.00 2.01 2.19 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 2.30 2.34 0.00 29 L 8.21 4.12 0.00 1.67 1.47 0.49 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.53 4.33 0.00 4.07 4.07 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 31 E 7.82 3.99 0.00 2.11 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 2.57 2.51 0.00 32 Q 7.88 4.40 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 33 E 7.50 4.63 0.00 1.88 1.64 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 2.52 2.23 0.00 34 S 8.36 4.26 0.00 3.69 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 35 Y 6.72 4.93 0.00 3.06 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 36 Q 8.70 4.76 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 37 L 8.74 4.24 0.00 1.06 1.39 0.81 1.04 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 38 T 7.87 4.47 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 1.21 0.00 0.00 39 D 8.59 4.58 0.00 2.85 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 40 Q 8.07 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 41 V 7.46 3.51 1.79 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 0.77 0.00 0.00 0.83 0.00 0.00 42 Y 7.62 4.47 0.00 3.28 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 43 E 8.57 4.42 0.00 2.12 2.16 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 2.37 2.28 0.00 44 N 8.46 4.40 0.00 3.14 2.91 0.00 0.00 7.02 6.84 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 45 I 7.90 3.85 2.30 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 0.88 1.16 0.00 0.00 46 S 8.53 4.43 0.00 4.14 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 0.00 47 K 8.46 4.10 0.00 1.96 2.04 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 48 E 8.62 4.02 0.00 2.31 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 0.00 2.42 2.40 0.00 49 Y 8.57 4.23 0.00 3.39 3.37 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 50 I 8.27 3.92 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.15 0.98 0.00 0.00 51 D 8.40 4.39 0.00 2.86 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 52 I 7.73 3.84 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 0.80 0.00 0.00 53 L 7.87 3.92 0.00 1.88 1.90 1.40 0.07 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 54 L 8.03 4.25 0.00 1.65 1.81 0.88 0.58 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 55 L 7.68 4.45 0.00 1.84 1.74 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.23 5.27 0.00 3.85 3.57 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 57 V 8.13 3.89 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 0.49 0.00 0.00 0.61 0.00 0.00 58 K 8.01 4.06 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 59 D 6.98 4.40 0.00 2.85 2.70 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 0.00 60 E 8.34 4.25 0.00 2.06 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 2.22 0.00 61 N 8.85 4.54 0.00 2.92 2.88 0.00 0.00 6.79 7.72 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 62 A 8.08 3.93 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 63 A 7.40 5.22 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 64 E 7.84 3.86 0.00 2.12 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 2.31 2.34 0.00 65 S 7.99 4.18 0.00 4.09 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 66 Q 8.00 3.99 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 67 I 8.15 3.71 2.08 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 1.42 0.82 0.93 0.00 0.00 68 S 8.06 4.10 0.00 3.91 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 69 E 8.40 3.96 0.00 2.04 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 2.45 2.48 0.00 70 L 8.35 4.18 0.00 1.97 1.91 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.36 4.13 1.48 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 0.00 0.00 72 L 7.95 3.68 0.00 1.76 1.78 0.70 0.59 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 73 R 8.14 3.82 0.00 2.03 2.15 0.00 3.20 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 A 8.35 4.09 1.67 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 75 V 7.56 3.43 1.83 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 0.41 0.00 0.00 -0.04 0.00 0.00 76 Q 8.02 3.99 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 77 I 7.87 4.11 1.89 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 1.79 0.56 0.92 0.00 0.00 78 G 7.67 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 0.00 0.00 0.00 0.00 79 L 7.74 4.09 0.00 1.90 1.81 1.17 0.60 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 80 S 8.14 5.12 0.00 4.03 3.59 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 *82 K 8.80 3.96 0.00 1.81 1.85 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 83 F 8.34 3.80 0.00 3.17 3.19 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 84 L 8.26 3.85 0.00 1.87 1.51 0.96 1.59 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 85 A 7.59 3.98 0.72 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 86 T 7.78 3.59 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 0.99 0.00 0.00 87 A 7.55 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.62 3.01 0.00 1.67 1.61 0.92 0.20 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 89 A 7.85 4.10 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 90 E 7.87 3.63 0.00 1.97 1.95 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 2.25 2.35 0.00 91 F 8.11 4.21 0.00 2.65 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 0.00 0.00 0.00 0.00 92 W 7.52 4.16 0.00 3.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.75 3.42 0.00 1.42 1.47 0.00 1.21 0.00 0.00 1.17 0.00 0.00 2.66 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.21 7.81 94 R 8.11 4.11 0.00 2.07 2.05 0.00 3.23 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 95 L 7.80 4.06 0.00 2.14 2.19 1.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.09 4.33 0.00 3.18 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 97 T 7.85 3.81 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 1.16 0.00 0.00 98 K 7.40 3.88 0.00 1.90 1.95 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.61 7.81 *100 N 8.07 4.43 0.00 1.64 2.27 0.00 0.00 7.15 8.47 0.00 0.00 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 D 7.50 4.76 0.00 2.64 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 0.00 102 K 7.50 4.47 0.00 1.81 1.82 0.00 1.88 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.43 7.81 *108 E 7.96 4.15 0.00 2.26 2.16 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 2.33 2.40 0.00 109 S 8.65 4.28 0.00 3.93 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 0.00 110 T 8.27 3.69 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 1.35 0.00 0.00 111 E 8.26 4.16 0.00 2.08 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 2.52 2.46 0.00 112 L 7.79 4.26 0.00 1.85 2.01 0.93 0.68 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 0.00 113 I 8.00 3.62 1.29 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.24 0.00 0.00 114 W 7.92 4.54 0.00 3.39 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 0.00 115 Q 8.48 4.13 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 116 I 8.02 4.11 2.12 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 1.22 0.00 0.00 117 D 8.29 4.01 0.00 2.38 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 0.00 118 R 8.29 3.89 0.00 1.95 2.27 0.00 3.36 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 119 F 7.94 4.18 0.00 3.00 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 0.00 120 F 8.60 4.14 0.00 3.13 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 0.00 121 S 8.33 4.05 0.00 4.03 3.84 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 0.00 122 P 0.00 4.27 0.00 2.38 2.23 0.00 3.75 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 1.91 1.84 0.00 123 I 7.42 3.55 1.85 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.25 0.79 0.00 0.00 124 N 8.27 4.05 0.00 2.55 2.32 0.00 0.00 6.86 7.91 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 0.00 125 T 7.85 3.64 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 1.28 0.00 0.00 126 E 7.77 4.00 0.00 2.15 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 2.28 2.39 0.00 127 I 7.71 3.73 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.56 1.04 0.00 0.00 128 F 7.88 4.53 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.43 4.41 0.00 3.06 3.03 0.00 0.00 7.30 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 0.00 130 Q 8.48 4.21 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 131 Y 8.44 4.06 0.00 3.31 3.19 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 0.00 132 S 8.48 4.51 0.00 4.15 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 0.00 133 I 8.29 3.84 2.01 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 1.57 0.80 0.93 0.00 0.00 134 S 7.91 4.14 0.00 3.64 3.40 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 0.00 135 W 7.24 4.48 0.00 3.59 3.23 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 0.00 136 E 8.43 4.33 0.00 2.06 1.95 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 2.38 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.