NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3390 8.2649 123.5747 52.4956 19.4842 177.8372 3 Q 4.2269 8.3080 125.5634 54.5257 30.2833 173.4120 4 Q 3.2190 7.0859 116.1712 61.3246 28.3505 175.3787 5 S 3.4362 6.3722 118.7316 59.2350 61.5603 173.7662 6 P 3.8914 0.0000 0.0000 64.7781 31.7449 176.4139 7 Y 3.9286 6.7590 113.3558 58.6089 36.4530 171.9278 8 S 4.4725 7.6623 116.9506 56.7663 62.9134 174.6042 9 A 3.9415 8.7623 129.4453 54.5501 17.6332 177.4507 10 A 3.8864 7.5059 117.1039 55.2104 18.7503 177.6052 11 M 4.7213 8.3237 111.0010 54.7461 33.1480 177.6397 12 A 4.2706 7.8346 119.6691 53.3100 18.9227 180.0894 13 E 4.2402 8.0933 116.4295 58.8661 29.8370 178.7080 14 Q 4.2212 7.9702 119.3578 59.0798 28.2920 177.9175 15 R 4.2268 8.0326 115.6673 58.5488 29.3088 177.0235 16 H 4.9461 9.2052 120.3762 58.6610 30.6738 176.5560 17 E 4.0614 8.1562 119.6759 59.0714 29.2192 178.8800 18 E 4.1087 7.9620 118.0222 58.7621 29.4502 178.9373 19 W 4.3761 7.7709 128.9154 60.5655 30.7371 178.1090 20 L 3.5577 8.0849 118.9706 57.5020 40.9769 179.4068 21 R 3.7928 7.7867 118.5891 59.1971 29.8685 178.4619 22 F 4.0337 7.7826 120.6056 61.2004 39.5756 177.0780 23 V 3.0002 7.3461 118.1215 66.1450 31.1882 177.7819 24 D 4.2090 8.0139 118.5043 57.0401 40.6181 178.4509 25 L 3.8130 7.7389 120.8762 58.0538 42.0266 178.7970 26 L 3.6563 7.5362 120.4689 57.6506 41.7405 178.5808 27 K 3.8790 7.6730 119.2851 59.9013 32.1227 178.4323 28 N 4.3063 8.0334 116.0861 56.1122 38.3366 177.1091 29 A 3.9474 7.9657 122.2143 55.5556 18.3325 179.2771 30 Y 3.9405 8.2634 115.4167 61.4223 37.7146 179.0057 31 Q 4.1675 7.8715 117.7172 57.9935 28.8342 177.3475 32 N 4.7890 7.8296 115.1596 52.0732 38.9523 174.4959 33 D 4.5866 7.7152 118.4069 55.6026 39.2481 174.1176 34 L 4.6538 7.9457 117.1044 54.7794 42.4158 178.5333 35 H 3.9528 7.9147 118.3842 58.4396 28.3514 176.8417 36 L 3.8285 7.2658 122.8258 57.4265 42.1684 177.1821 37 P 4.3050 0.0000 0.0000 65.4430 31.2030 178.0363 38 L 3.9742 7.6560 120.2247 58.0089 42.1412 178.7140 39 L 4.1490 8.4503 118.9681 57.2209 41.3576 178.8670 40 N 4.4880 7.8613 115.9804 55.4659 38.5905 176.8374 41 L 4.1574 7.5243 121.1359 58.2824 42.3903 178.4163 42 M 4.2618 8.2681 117.5159 56.1845 32.2837 176.4441 43 L 4.9120 7.0806 117.1390 52.9139 44.8347 176.6194 44 T 4.4214 8.7412 112.2354 60.1880 71.5691 174.2224 45 P 4.2460 0.0000 0.0000 65.9280 31.3334 178.4758 46 D 4.3622 8.0583 116.2441 57.2500 41.1679 178.0845 47 E 3.9849 7.9836 119.1356 59.3330 29.2848 179.3093 48 R 3.9741 7.6580 116.6763 59.3908 30.4643 178.6660 49 E 4.1051 8.1955 117.9323 59.4566 29.5195 179.1414 50 A 4.0302 8.0912 120.7030 55.4062 18.4788 179.7349 51 L 4.1361 8.2508 117.4935 57.5497 41.4969 179.9662 52 G 3.6121 7.9922 105.8693 48.2823 0.0000 175.8656 53 T 3.9178 7.9329 118.3653 66.3622 68.4474 176.8063 54 R 4.0139 8.0695 119.9200 59.0720 30.0367 179.5380 55 V 3.6535 7.7823 112.1175 64.3501 31.5378 178.5960 56 R 4.0517 7.7106 117.8663 59.4514 29.9233 178.8351 57 I 3.6595 7.7319 119.2759 64.6480 37.3107 178.5278 58 V 3.5761 7.9049 118.6704 65.9288 31.2506 177.5477 59 E 3.8857 8.6196 119.2690 59.5747 29.5356 178.7223 60 E 3.9532 8.5998 118.9067 59.2964 29.2359 179.4590 61 L 4.0136 7.9081 118.4620 57.7736 41.7660 179.2322 62 L 4.1303 7.5890 117.4471 57.7533 41.3870 179.1234 63 R 4.0499 8.3642 119.0776 57.5002 29.7637 177.2431 64 G 4.6477 8.0927 105.4555 46.4704 0.0000 173.2352 65 E 4.4148 7.6376 118.2164 55.8920 30.1335 175.4405 66 M 4.8455 7.4656 113.9893 52.9725 34.5628 175.3994 67 S 4.3520 8.5807 115.8573 58.6167 65.2585 175.4588 68 Q 4.0626 8.5041 120.9292 58.9514 28.2297 179.0856 69 R 3.9800 7.9302 118.9648 59.0682 30.0471 178.7594 70 E 3.9679 8.0062 118.4459 59.2908 29.4747 178.8654 71 L 3.9100 7.7901 120.2259 58.2939 42.1038 179.0439 72 K 3.9534 8.1657 119.2924 59.3904 31.9510 178.5971 73 N 4.3864 7.8187 116.8614 55.8655 38.3446 176.9632 74 E 3.9997 8.1330 119.8522 59.4615 29.9323 178.6641 75 L 4.2560 8.0366 116.6718 54.9285 41.8945 177.3523 76 G 3.7368 7.5225 104.9469 46.5232 0.0000 173.5396 77 A 4.5293 7.8662 122.2102 50.1379 21.2515 177.7143 78 G 4.0333 8.0486 108.0224 44.5207 0.0000 175.0323 79 I 3.8622 8.1513 118.8037 63.4292 37.9729 177.7701 80 A 4.0250 8.0366 121.5782 55.6259 17.9641 179.5635 81 T 3.9190 7.6242 112.6856 66.5807 68.4500 177.1044 82 I 3.8246 7.5608 121.5721 64.4522 37.2328 178.2676 83 T 3.9424 7.9997 116.6794 66.6523 68.2337 176.8954 84 R 4.0372 8.1806 120.1812 59.1047 29.9886 179.3903 85 G 3.5626 7.8395 105.4685 47.7498 0.0000 175.5623 86 S 4.1069 8.5051 116.3122 61.3917 62.2959 176.1807 87 N 4.4185 8.5544 119.3897 56.2844 38.0187 177.7435 88 S 4.1411 7.9063 116.0530 61.4646 63.3028 176.1219 89 L 4.1217 8.3527 123.4586 57.9940 41.5570 179.1072 90 K 3.9654 7.7437 117.3749 59.2083 32.1110 178.4424 91 A 4.2471 7.5454 118.4602 52.2058 19.1189 177.6766 92 A 4.1510 7.0288 120.2584 51.1666 19.3111 176.4797 93 P 4.4713 0.0000 0.0000 61.9883 33.4063 177.9368 94 V 3.6017 8.4399 120.2717 66.4859 31.3302 178.1057 95 E 3.9874 8.2619 117.4845 59.4813 29.2495 179.0495 96 L 4.0311 7.8818 119.3629 58.3722 42.4628 178.7765 97 R 4.0071 8.1927 118.2905 59.5579 29.8647 179.0610 98 Q 4.1289 8.3342 116.0657 58.6192 29.0406 177.8227 99 W 4.3008 8.3522 130.8111 60.1360 30.6419 178.0069 100 L 3.6594 8.5329 119.5140 57.6887 40.9265 179.0034 101 E 4.0262 7.9315 115.8931 58.0244 29.2918 178.1369 102 E 4.2692 7.7131 118.8301 58.1831 30.1925 178.5867 103 V 3.3692 6.8045 110.4851 64.4643 31.6298 177.8390 104 L 4.2301 7.6387 116.9666 55.9659 42.6264 177.6631 105 L 4.5420 6.9137 121.3004 55.1464 42.0989 177.3005 *106 K 4.1215 8.7494 128.8333 55.8459 32.3453 173.9957 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 2 A 8.26 4.34 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 3 Q 8.31 4.23 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 4 Q 7.09 3.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 5 S 6.37 3.44 0.00 3.44 3.89 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 0.00 0.00 0.00 6 P 0.00 3.89 0.00 2.09 2.08 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 7 Y 6.76 3.93 0.00 3.09 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 8 S 7.66 4.47 0.00 4.01 4.13 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 9 A 8.76 3.94 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 10 A 7.51 3.89 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 11 M 8.32 4.72 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 12 A 7.83 4.27 1.29 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 0.00 0.00 13 E 8.09 4.24 0.00 2.05 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 2.33 2.37 0.00 14 Q 7.97 4.22 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 15 R 8.03 4.23 0.00 2.09 2.20 0.00 3.00 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 16 H 9.21 4.95 0.00 3.18 3.49 0.00 5.60 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 17 E 8.16 4.06 0.00 2.14 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 2.43 2.48 0.00 18 E 7.96 4.11 0.00 2.34 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 2.37 2.66 0.00 19 W 7.77 4.38 0.00 3.59 3.30 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 20 L 8.08 3.56 0.00 1.82 1.58 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.79 3.79 0.00 2.11 2.01 0.00 3.11 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 22 F 7.78 4.03 0.00 3.09 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 23 V 7.35 3.00 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 0.75 0.00 0.00 -0.08 0.00 0.00 24 D 8.01 4.21 0.00 2.77 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 25 L 7.74 3.81 0.00 1.77 1.60 0.88 0.37 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 26 L 7.54 3.66 0.00 0.95 1.33 0.66 0.85 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 27 K 7.67 3.88 0.00 1.91 1.91 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 28 N 8.03 4.31 0.00 2.99 2.81 0.00 0.00 6.98 7.23 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 29 A 7.97 3.95 1.23 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 30 Y 8.26 3.94 0.00 3.11 2.91 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 31 Q 7.87 4.17 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 32 N 7.83 4.79 0.00 2.68 2.82 0.00 0.00 7.02 7.35 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 33 D 7.72 4.59 0.00 2.82 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 34 L 7.95 4.65 0.00 1.61 1.56 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.91 3.95 0.00 2.55 2.57 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.27 3.83 0.00 1.57 1.61 0.94 0.91 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 37 P 0.00 4.31 0.00 2.27 2.26 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 38 L 7.66 3.97 0.00 1.85 1.80 0.94 0.26 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 39 L 8.45 4.15 0.00 1.75 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.86 4.49 0.00 2.87 2.88 0.00 0.00 6.94 7.94 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 41 L 7.52 4.16 0.00 1.67 1.93 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.27 4.26 0.00 2.08 2.31 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 2.96 0.00 43 L 7.08 4.91 0.00 1.79 1.57 1.00 0.70 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 44 T 8.74 4.42 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 1.25 0.00 0.00 45 P 0.00 4.25 0.00 2.18 2.15 0.00 3.60 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 2.12 2.15 0.00 46 D 8.06 4.36 0.00 2.79 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 47 E 7.98 3.98 0.00 2.20 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 2.32 2.34 0.00 48 R 7.66 3.97 0.00 2.00 2.03 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 49 E 8.20 4.11 0.00 2.18 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 2.34 2.48 0.00 50 A 8.09 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.25 4.14 0.00 2.04 1.79 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 3.92 4.41 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 1.22 0.00 0.00 54 R 8.07 4.01 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 55 V 7.78 3.65 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 0.88 0.00 0.00 1.03 0.00 0.00 56 R 7.71 4.05 0.00 1.95 1.99 0.00 3.45 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 1.66 1.84 0.00 57 I 7.73 3.66 2.02 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 1.41 0.70 0.92 0.00 0.00 58 V 7.90 3.58 2.18 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 1.02 0.00 0.00 0.96 0.00 0.00 59 E 8.62 3.89 0.00 2.01 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 2.33 0.00 60 E 8.60 3.95 0.00 2.02 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 2.49 2.50 0.00 61 L 7.91 4.01 0.00 1.83 1.73 0.93 0.88 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 62 L 7.59 4.13 0.00 1.83 1.72 0.91 0.72 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 63 R 8.36 4.05 0.00 2.06 2.06 0.00 3.22 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 64 G 8.09 4.65 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 0.00 65 E 7.64 4.41 0.00 1.83 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 2.26 2.22 0.00 66 M 7.47 4.85 0.00 2.09 2.04 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 2.45 2.51 0.00 67 S 8.58 4.35 0.00 4.07 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 68 Q 8.50 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 69 R 7.93 3.98 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 70 E 8.01 3.97 0.00 2.15 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 2.33 2.31 0.00 71 L 7.79 3.91 0.00 1.91 1.78 0.92 0.59 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 72 K 8.17 3.95 0.00 1.88 2.08 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.70 7.81 73 N 7.82 4.39 0.00 2.93 2.84 0.00 0.00 6.56 7.44 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 74 E 8.13 4.00 0.00 2.14 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 2.32 2.36 0.00 75 L 8.04 4.26 0.00 1.76 1.71 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.52 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.87 4.53 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 78 G 8.05 4.03 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 0.00 0.00 0.00 79 I 8.15 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 0.91 0.00 0.00 80 A 8.04 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 81 T 7.62 3.92 4.36 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 1.22 0.00 0.00 82 I 7.56 3.82 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.40 0.94 0.00 0.00 83 T 8.00 3.94 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 1.21 0.00 0.00 84 R 8.18 4.04 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 85 G 7.84 3.56 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 0.00 86 S 8.51 4.11 0.00 3.96 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 87 N 8.55 4.42 0.00 2.82 2.85 0.00 0.00 7.10 7.34 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 88 S 7.91 4.14 0.00 4.05 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 89 L 8.35 4.12 0.00 2.00 1.77 0.96 0.40 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 90 K 7.74 3.97 0.00 2.04 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.73 7.81 91 A 7.55 4.25 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 92 A 7.03 4.15 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 93 P 0.00 4.47 0.00 2.19 2.04 0.00 3.65 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 2.12 2.15 0.00 94 V 8.44 3.60 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 1.18 0.00 0.00 0.95 0.00 0.00 95 E 8.26 3.99 0.00 2.09 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 2.40 2.45 0.00 96 L 7.88 4.03 0.00 1.79 1.88 1.04 1.03 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 97 R 8.19 4.01 0.00 2.06 2.02 0.00 3.20 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 98 Q 8.33 4.13 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 99 W 8.35 4.30 0.00 3.48 3.47 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 0.00 0.00 0.00 0.00 100 L 8.53 3.66 0.00 1.94 1.68 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.93 4.03 0.00 1.96 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 2.33 2.51 0.00 102 E 7.71 4.27 0.00 1.91 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 2.21 2.50 0.00 103 V 6.80 3.37 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 -0.15 0.00 0.00 0.04 0.00 0.00 104 L 7.64 4.23 0.00 1.77 1.63 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 L 6.91 4.54 0.00 1.64 1.03 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.75 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.