NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2778 8.2649 123.5768 52.5179 20.6049 177.4092 3 Q 4.2890 7.8737 115.9067 55.4605 28.6910 174.0508 4 Q 3.3245 6.9821 117.3959 60.0101 28.2484 174.3361 5 S 3.8300 6.9678 113.3534 57.6390 62.0112 171.6993 6 P 4.1551 0.0000 0.0000 62.2247 32.4830 177.2086 7 Y 3.6493 7.8614 113.2178 58.0483 36.1576 169.2654 8 S 4.0618 7.8118 115.1372 58.3976 62.6679 174.6727 9 A 3.9930 9.2341 129.3670 55.6171 18.1898 178.7989 10 A 3.1111 6.7151 109.8670 53.6603 19.9820 176.7047 11 M 4.6429 8.3551 111.5855 53.8980 33.7102 176.8831 12 A 4.2697 7.7602 117.0748 53.3291 18.1517 179.8071 13 E 4.0797 7.9673 117.8001 59.1243 29.9991 177.9499 14 Q 4.2643 8.0533 119.3913 59.2394 29.1209 178.3159 15 R 4.1323 8.0820 118.6328 59.7344 30.1812 178.5126 16 H 4.4634 7.8690 117.6080 59.3266 29.6892 177.1968 17 E 4.0771 8.9788 120.6463 59.0317 29.6470 178.9235 18 E 4.1540 8.8284 119.4262 59.0812 29.5810 178.8577 19 W 4.4790 8.7396 128.8687 60.8009 30.7897 178.0377 20 L 3.6110 7.9542 118.5788 57.3807 40.9487 179.4693 21 R 3.8355 7.7225 118.6216 59.0723 29.9198 178.3746 22 F 3.9910 7.8384 119.9907 61.2256 39.6951 176.7694 23 V 3.0268 6.9731 117.8057 66.1837 31.1923 177.7663 24 D 4.1939 7.8224 118.1301 57.0905 40.6056 178.4310 25 L 3.8031 7.6878 120.7998 58.1484 42.0421 178.8281 26 L 3.6611 7.6564 120.5259 57.6228 41.9579 178.7588 27 K 3.9194 7.6082 119.3262 59.6179 32.1445 178.4892 28 N 4.2819 7.9936 116.1398 56.1596 38.3960 176.9159 29 A 3.9360 7.9656 122.2169 55.7383 18.4079 179.1824 30 Y 3.9847 8.2297 115.1667 61.5425 37.7327 179.2327 31 Q 4.1632 7.9494 117.2378 58.0413 28.7999 177.4932 32 N 4.8110 7.8727 114.9451 51.8921 39.1400 174.2460 33 D 4.5574 8.0114 118.8195 55.9168 39.1499 174.1906 34 L 4.6897 8.0006 115.9274 54.5597 42.8431 178.6573 35 H 3.8881 7.9607 118.0982 58.5393 28.3708 176.7386 36 L 3.8500 7.3528 122.9747 57.4653 41.8599 177.1763 37 P 4.2656 0.0000 0.0000 65.5469 31.2030 177.9920 38 L 3.9125 7.7924 120.2011 58.1205 42.1762 178.9886 39 L 4.1821 8.5920 118.7173 57.3257 41.2887 178.9406 40 N 4.4902 7.7835 115.8232 55.4581 38.6323 176.8713 41 L 4.1505 7.8371 121.4979 58.3362 42.3830 178.4808 42 M 4.2772 8.4118 117.7413 56.2203 32.2085 176.3639 43 L 4.8873 7.1292 117.1907 52.9546 44.8574 176.4311 44 T 4.4615 8.3764 111.3276 60.0529 71.7148 174.0972 45 P 4.2491 0.0000 0.0000 66.0303 31.3330 178.4768 46 D 4.3720 8.0454 116.1540 57.3102 41.1623 178.0083 47 E 4.0323 7.9239 117.9062 59.1778 29.2263 179.4307 48 R 3.9399 7.6501 116.8565 59.3052 30.4673 178.6704 49 E 4.1031 8.2669 118.0430 59.4626 29.6029 179.1354 50 A 4.0403 8.0885 120.7135 55.3915 18.3596 179.7342 51 L 4.1292 8.1351 117.5811 57.6241 41.5151 179.8941 52 G 3.6227 8.0609 105.8568 48.2730 0.0000 175.8977 53 T 3.9265 7.9105 118.0783 66.3325 68.3715 176.8540 54 R 3.9853 8.0151 119.8703 59.2395 30.0043 179.4495 55 V 3.6553 7.8454 112.2838 64.3481 31.4091 178.8830 56 R 3.9057 7.8157 117.9394 59.2083 29.8924 179.0195 57 I 3.6726 7.8216 119.5410 64.5437 37.1461 178.6603 58 V 3.5832 8.0350 119.1702 65.8742 31.3137 177.6752 59 E 3.8875 8.4395 119.2441 59.4842 29.5795 178.7645 60 E 4.0122 8.4482 118.7284 59.1987 29.2209 179.3704 61 L 4.0562 7.9307 118.7428 57.5396 41.7354 179.1558 62 L 4.1252 7.5536 117.8564 57.8353 41.8602 179.1806 63 R 4.0394 8.3557 118.8043 57.3411 29.7764 176.9325 64 G 4.4109 7.7071 105.4844 46.3404 0.0000 173.2102 65 E 4.3823 7.6384 118.7398 55.9999 30.2831 175.4800 66 M 4.8416 7.5135 114.3838 52.8274 34.4948 175.6194 67 S 4.3568 8.6020 115.8586 58.6377 65.2274 175.3895 68 Q 4.0687 8.4884 120.6969 58.6926 28.0299 178.7266 69 R 3.8938 7.9316 119.6844 59.2114 30.0449 178.3493 70 E 3.9553 8.0814 118.4645 59.2520 29.5267 178.5896 71 L 3.8974 7.8514 120.4279 58.4286 42.0411 178.9799 72 K 3.8940 8.2175 119.1831 59.5983 31.5434 178.4963 73 N 4.3539 7.7996 115.5871 55.9434 38.3468 176.9258 74 E 3.9312 8.1555 120.2847 59.2629 29.7076 177.9099 75 L 4.1898 8.0666 115.9478 54.7243 42.0811 176.9621 76 G 3.8131 7.5211 105.6795 46.6303 0.0000 173.4048 77 A 4.6810 7.8030 121.1883 49.7456 21.6333 177.5373 78 G 3.9792 8.1087 107.9164 44.6091 0.0000 175.1907 79 I 3.7033 8.2641 120.0840 63.5998 37.9397 178.1413 80 A 4.0276 8.0099 121.5134 55.5287 18.0596 179.5427 81 T 3.9439 7.8162 113.9406 66.4972 68.3996 177.2409 82 I 3.7866 7.5844 121.6288 64.5263 37.2781 178.1988 83 T 3.8393 7.9397 116.6284 66.7441 68.2831 176.7821 84 R 4.0530 8.1464 120.0574 59.1245 30.0122 179.3961 85 G 3.5731 7.7966 105.5070 47.7553 0.0000 175.5152 86 S 4.1017 8.6737 116.4326 61.3683 62.2874 176.1668 87 N 4.3882 8.6078 119.3763 56.3628 38.0031 177.7051 88 S 4.1423 7.9487 115.9428 61.4617 63.2986 176.1476 89 L 4.1234 8.3963 123.5253 57.9815 41.5709 179.0785 90 K 3.9570 7.7869 117.6096 59.2984 32.0952 178.5461 91 A 4.1963 7.5992 118.7339 52.5949 19.0381 177.7647 92 A 4.1349 7.0835 120.3216 51.1836 19.3370 176.4484 93 P 4.4395 0.0000 0.0000 62.2064 33.4390 177.9556 94 V 3.6241 8.4524 120.2279 66.4345 31.4308 178.2481 95 E 3.9892 8.1901 117.5203 59.3831 29.2929 178.8909 96 L 4.0446 7.8983 119.5394 58.3545 42.3080 178.7184 97 R 4.0094 8.1454 118.1706 59.6054 29.9133 179.0545 98 Q 4.2950 8.1828 115.4069 58.4384 28.8738 177.7133 99 W 4.3822 8.1110 130.3428 59.9336 30.8716 177.8726 100 L 3.5283 8.4862 119.4311 57.8330 40.9749 179.0933 101 E 4.1551 7.9585 115.5581 57.9222 29.3221 177.9272 102 E 4.3114 7.6880 118.2484 58.2553 30.9563 178.2842 103 V 3.5513 6.7071 111.3561 64.3662 31.5105 178.1041 104 L 4.4495 7.5272 114.5044 55.2756 42.5491 176.0416 105 L 4.5285 7.2261 124.6437 55.2283 44.3763 176.9643 *106 K 4.1215 9.1003 130.6708 55.6799 32.3453 176.0592 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 4.28 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 3 Q 7.87 4.29 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 Q 6.98 3.32 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 5 S 6.97 3.83 0.00 3.76 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 6 P 0.00 4.16 0.00 2.18 2.20 0.00 3.70 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 1.91 1.94 0.00 7 Y 7.86 3.65 0.00 3.14 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 8 S 7.81 4.06 0.00 4.01 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 9 A 9.23 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 10 A 6.72 3.11 1.21 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 0.00 0.00 0.00 11 M 8.36 4.64 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 12 A 7.76 4.27 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 13 E 7.97 4.08 0.00 2.10 2.32 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 2.41 2.44 0.00 14 Q 8.05 4.26 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 15 R 8.08 4.13 0.00 1.93 2.03 0.00 3.18 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 16 H 7.87 4.46 0.00 3.64 3.51 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 8.98 4.08 0.00 2.13 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 0.00 2.37 2.41 0.00 18 E 8.83 4.15 0.00 2.19 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 2.38 2.55 0.00 19 W 8.74 4.48 0.00 3.38 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 20 L 7.95 3.61 0.00 1.83 1.58 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.72 3.84 0.00 2.16 2.02 0.00 3.11 0.00 0.00 3.10 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 7.84 3.99 0.00 3.14 3.02 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 23 V 6.97 3.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.08 0.00 0.00 24 D 7.82 4.19 0.00 2.76 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 7.69 3.80 0.00 1.76 1.58 0.87 0.34 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 7.66 3.66 0.00 0.94 1.34 0.66 0.43 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 27 K 7.61 3.92 0.00 1.93 1.92 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 28 N 7.99 4.28 0.00 3.03 2.81 0.00 0.00 6.95 6.94 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 29 A 7.97 3.94 1.22 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 0.00 0.00 30 Y 8.23 3.98 0.00 3.09 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 31 Q 7.95 4.16 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.78 0.00 32 N 7.87 4.81 0.00 2.67 2.81 0.00 0.00 7.02 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 33 D 8.01 4.56 0.00 2.87 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 34 L 8.00 4.69 0.00 1.60 1.54 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.96 3.89 0.00 2.55 2.51 0.00 5.67 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 36 L 7.35 3.85 0.00 1.56 1.62 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.27 0.00 2.27 2.26 0.00 3.63 0.00 0.00 3.63 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 7.79 3.91 0.00 1.84 1.80 0.93 0.51 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 39 L 8.59 4.18 0.00 1.76 1.76 0.95 0.93 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 40 N 7.78 4.49 0.00 2.90 2.87 0.00 0.00 6.94 7.73 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 41 L 7.84 4.15 0.00 1.62 1.96 0.93 1.09 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 42 M 8.41 4.28 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.00 0.00 43 L 7.13 4.89 0.00 1.76 1.57 1.00 0.68 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 44 T 8.38 4.46 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 2.16 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 2.16 0.00 46 D 8.05 4.37 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 7.92 4.03 0.00 2.25 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 7.65 3.94 0.00 2.01 2.02 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 1.88 0.00 49 E 8.27 4.10 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 2.34 2.43 0.00 50 A 8.09 4.04 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 51 L 8.14 4.13 0.00 2.02 1.78 1.00 0.96 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 8.06 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.91 3.93 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 8.02 3.99 0.00 2.04 2.00 0.00 3.15 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 1.66 2.04 0.00 55 V 7.85 3.66 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 0.85 0.00 0.00 1.03 0.00 0.00 56 R 7.82 3.91 0.00 1.95 1.98 0.00 3.30 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 1.82 0.00 57 I 7.82 3.67 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 8.04 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 0.99 0.00 0.00 59 E 8.44 3.89 0.00 2.04 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 0.00 2.28 2.48 0.00 60 E 8.45 4.01 0.00 2.01 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 2.50 2.49 0.00 61 L 7.93 4.06 0.00 1.76 1.73 0.93 0.85 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 7.55 4.13 0.00 1.77 1.71 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.36 4.04 0.00 2.07 2.09 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 G 7.71 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 0.00 0.00 0.00 0.00 65 E 7.64 4.38 0.00 2.06 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 2.26 2.22 0.00 66 M 7.51 4.84 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 2.49 0.00 67 S 8.60 4.36 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 8.49 4.07 0.00 2.12 2.19 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 2.45 2.41 0.00 69 R 7.93 3.89 0.00 1.92 1.92 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 70 E 8.08 3.96 0.00 2.26 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 2.31 0.00 71 L 7.85 3.90 0.00 1.88 1.69 0.92 0.43 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 72 K 8.22 3.89 0.00 1.86 2.10 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.72 7.81 73 N 7.80 4.35 0.00 2.97 2.84 0.00 0.00 6.60 7.54 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 74 E 8.16 3.93 0.00 2.16 2.04 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 2.33 2.29 0.00 75 L 8.07 4.19 0.00 1.78 1.70 0.98 0.81 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 76 G 7.52 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.80 4.68 1.24 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 0.00 0.00 78 G 8.11 3.98 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 0.00 0.00 0.00 79 I 8.26 3.70 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 8.01 4.03 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 81 T 7.82 3.94 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 1.22 0.00 0.00 82 I 7.58 3.79 2.02 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 0.69 0.97 0.00 0.00 83 T 7.94 3.84 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 8.15 4.05 0.00 2.04 1.98 0.00 3.12 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 1.84 0.00 85 G 7.80 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 0.00 0.00 0.00 86 S 8.67 4.10 0.00 3.94 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 8.61 4.39 0.00 2.80 2.85 0.00 0.00 7.12 7.32 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 88 S 7.95 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 8.40 4.12 0.00 1.99 1.78 0.95 0.30 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 90 K 7.79 3.96 0.00 2.02 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 1.69 7.81 91 A 7.60 4.20 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 92 A 7.08 4.13 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 93 P 0.00 4.44 0.00 2.19 2.12 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 2.13 2.15 0.00 94 V 8.45 3.62 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 1.09 0.00 0.00 0.95 0.00 0.00 95 E 8.19 3.99 0.00 2.10 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 7.90 4.04 0.00 1.80 1.88 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.15 4.01 0.00 1.95 2.02 0.00 3.20 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 98 Q 8.18 4.29 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 99 W 8.11 4.38 0.00 3.42 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 8.49 3.53 0.00 1.94 1.67 1.03 0.96 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 0.00 101 E 7.96 4.16 0.00 1.93 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 2.61 0.00 102 E 7.69 4.31 0.00 1.80 1.87 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 2.23 2.56 0.00 103 V 6.71 3.55 1.69 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 0.23 0.00 0.00 -0.19 0.00 0.00 104 L 7.53 4.45 0.00 1.62 1.59 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.23 4.53 0.00 1.61 0.66 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 9.10 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 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.