NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.4844 8.1827 122.8302 57.9565 40.7589 172.9819 *4 R 4.2389 8.0612 118.3317 56.4873 31.7077 174.6111 5 E 5.1361 8.5295 123.8325 54.4525 32.1940 174.6103 6 I 5.0335 8.9139 119.5691 59.0493 41.8535 173.6788 7 E 5.2001 9.0915 122.5727 54.6390 32.9254 174.2020 8 L 5.0112 8.8384 126.6769 53.7968 44.2843 175.5889 9 R 5.0140 9.1213 121.2727 54.3907 34.1887 171.8846 10 G 4.2220 8.2904 111.2219 45.9819 0.0000 176.3813 11 H 4.7101 8.7157 118.7171 53.8291 27.1776 174.0009 12 I 3.8365 7.6386 124.3020 64.0730 37.7887 176.8637 13 I 4.2764 7.6126 119.4688 61.5101 38.0221 175.3513 14 D 4.6579 8.9994 122.7891 54.2458 39.5220 173.4892 15 S 4.6921 7.2041 111.1976 57.5457 64.3797 174.0510 16 L 4.5029 8.0393 120.5411 54.3405 41.6684 178.1035 17 I 3.5452 7.6016 120.7823 64.2845 37.6595 177.5150 18 L 3.3121 7.6000 118.7726 57.2952 41.5799 177.7726 19 P 4.1615 0.0000 0.0000 64.9149 31.1484 179.0541 20 K 3.8814 7.6853 117.8054 59.3016 32.1052 179.1047 21 V 3.5014 7.8223 118.8260 66.2515 31.2531 177.8622 22 F 4.0870 7.7052 117.3120 60.8366 38.7424 177.4303 23 D 4.4314 8.2152 118.2977 57.1774 40.3716 178.8930 24 K 3.9068 8.0578 119.0449 59.6298 32.6329 178.3028 25 I 3.9015 7.7575 120.0690 64.7692 36.8946 178.0251 26 L 4.2642 8.1669 118.0708 58.1324 41.6228 179.4489 27 D 4.4059 8.1974 118.7808 55.4851 42.3090 178.1074 *29 G 3.8411 7.9544 106.0140 44.9980 0.0000 173.3641 30 G 4.1624 8.0238 107.6396 44.8546 0.0000 172.4478 31 D 5.3103 9.0580 118.7549 52.4456 45.0487 173.6341 32 Y 5.4317 7.6746 118.7055 55.3155 41.8631 174.4882 33 K 4.4602 8.8479 120.6801 54.8783 35.9420 175.1159 34 V 4.2116 8.6784 128.1595 63.4181 31.5629 175.1255 35 L 4.5118 9.3853 128.6869 56.6184 42.6399 176.8365 36 E 4.9443 8.0590 116.0862 54.7682 34.4655 174.6778 37 F 4.7029 8.5993 123.4198 57.1278 42.3982 172.8537 38 E 4.4903 8.2177 127.7556 54.2977 31.9406 174.6760 39 I 4.4686 8.3976 127.6808 60.0321 38.6468 176.2009 40 G 3.8217 8.4879 114.3608 44.8164 0.0000 173.7812 41 K 4.0993 8.5478 121.0645 58.4944 32.6371 177.3801 42 R 4.7427 7.7901 115.2656 53.6274 33.7125 176.1736 43 K 3.7055 8.7409 119.7776 59.1792 32.4887 177.4062 44 T 4.2048 7.6677 112.9668 63.2012 67.8229 174.0992 45 D 4.7605 8.5111 121.7878 53.1049 42.0494 173.7722 46 P 4.8180 0.0000 0.0000 62.2617 32.7298 176.3097 47 S 4.8400 8.9786 120.1843 57.5315 65.6705 172.3945 48 Y 5.2713 8.1740 117.7030 55.5296 41.6417 173.9591 49 A 4.9507 8.7819 122.1587 50.1449 22.6910 174.9305 50 K 5.0041 8.8532 121.6070 54.8849 34.6105 175.6431 51 I 5.0708 8.6085 125.1839 59.4006 41.1405 174.1908 52 L 4.7916 9.0052 129.4826 54.2567 43.4523 175.2031 53 V 4.9723 8.5476 126.3966 61.2461 33.6564 174.7728 54 I 4.8235 9.1481 128.2500 59.7115 40.6364 174.8646 55 G 4.8033 8.7238 113.5066 44.3403 0.0000 172.5423 56 R 4.2328 8.9284 115.4119 58.7207 29.9201 176.3432 57 D 4.5908 7.5538 116.5608 51.2655 42.7931 176.0238 58 E 3.3652 8.2637 120.1005 59.1368 29.5366 178.1583 59 R 3.7942 7.9364 118.2583 60.1483 29.9487 177.5947 60 H 4.1623 8.4794 117.3754 59.3217 29.9835 177.3318 61 V 3.6554 8.1060 120.1987 66.2737 31.2870 177.7255 62 D 4.5257 8.5102 118.9483 57.1959 40.6708 178.5298 63 E 3.9632 7.9329 118.7380 59.3919 29.4001 179.4888 64 I 3.6588 7.5654 119.6171 64.5241 37.1952 178.2371 65 L 3.9764 8.3964 120.1050 58.2704 41.4803 179.6291 66 N 4.3418 8.2818 116.1214 56.2306 38.4729 177.1641 67 E 3.9664 8.0901 119.8265 59.6781 29.4702 179.5942 68 L 4.0569 8.2064 118.8749 57.5791 41.4823 179.5198 69 R 4.1689 8.1008 120.4513 58.8118 30.0092 178.2039 70 D 4.3738 8.0329 118.7810 56.6429 40.8482 178.3484 71 L 4.0123 7.9724 121.3383 58.2817 41.8826 179.4300 72 G 3.6113 7.6943 104.1050 47.4860 0.0000 175.3086 73 A 4.1521 7.5580 122.5151 54.8895 18.4126 179.0507 74 E 4.1001 7.9528 117.3833 58.2389 30.0525 177.0553 75 I 3.7685 7.5343 120.9131 60.9702 37.4338 175.6921 76 P 4.3970 0.0000 0.0000 65.2905 31.4462 177.6593 77 E 4.1834 8.1489 116.8394 57.7783 29.8176 176.0036 78 I 5.1395 7.2690 110.4923 58.8560 40.9418 174.5411 79 E 4.7699 8.8356 121.8062 54.5929 32.0567 174.1990 80 E 5.1855 8.6146 122.3725 54.9337 32.5166 174.7641 81 V 4.5341 8.4256 117.4554 60.1591 36.7323 173.7601 82 E 4.8092 8.6811 121.4297 55.3730 31.2920 175.5145 83 L 4.7386 8.5957 122.4832 52.8245 44.0437 176.3331 84 Q 4.1313 8.6490 125.2207 55.0429 30.0225 173.8747 85 P 4.3972 0.0000 0.0000 62.2857 32.0797 176.8674 86 A 4.3291 8.4842 122.0358 52.8115 18.0991 176.9425 87 E 4.6615 7.8633 119.5143 55.2794 32.6663 176.5650 88 K 4.1000 8.7752 127.7640 57.7670 32.1228 175.7718 89 D 4.5889 7.6566 117.4907 53.2854 42.0593 175.3239 *91 V 3.9942 7.8607 120.9279 62.6226 32.3772 174.4832 92 L 4.8650 8.2970 124.8158 52.3040 44.6551 174.6887 93 P 4.7072 0.0000 0.0000 61.4413 32.9903 174.9329 94 E 4.1663 8.6532 118.5198 55.1627 28.9131 177.0505 95 G 3.8934 9.9515 109.3724 44.3040 0.0000 173.5650 96 F 3.9971 8.5644 119.0550 58.2153 36.3298 175.8801 *97 Y 3.9110 7.3594 125.0604 57.4185 37.1220 173.9349 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 F 8.18 4.48 0.00 3.13 3.13 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 *4 R 8.06 4.24 0.00 2.09 1.89 0.00 3.28 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 5 E 8.53 5.14 0.00 2.05 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 0.00 2.29 2.29 0.00 6 I 8.91 5.03 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.94 0.00 0.00 7 E 9.09 5.20 0.00 1.94 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 2.12 2.39 0.00 8 L 8.84 5.01 0.00 1.57 1.52 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.12 5.01 0.00 1.83 1.77 0.00 3.04 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 G 8.29 4.22 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 0.00 11 H 8.72 4.71 0.00 3.10 3.30 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.64 3.84 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.91 1.09 0.00 0.00 13 I 7.61 4.28 1.91 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 1.33 0.70 0.92 0.00 0.00 14 D 9.00 4.66 0.00 2.79 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.20 4.69 0.00 4.11 3.83 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 0.00 0.00 0.00 0.00 16 L 8.04 4.50 0.00 1.68 1.61 0.91 0.62 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 17 I 7.60 3.55 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.90 0.88 0.00 0.00 18 L 7.60 3.31 0.00 1.49 1.02 1.04 0.90 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 19 P 0.00 4.16 0.00 2.11 2.11 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 20 K 7.69 3.88 0.00 2.00 1.78 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 21 V 7.82 3.50 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 1.00 0.00 0.00 0.87 0.00 0.00 22 F 7.71 4.09 0.00 3.04 2.74 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 23 D 8.22 4.43 0.00 2.97 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 24 K 8.06 3.91 0.00 1.86 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 25 I 7.76 3.90 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.12 1.04 0.00 0.00 26 L 8.17 4.26 0.00 1.71 1.82 1.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.20 4.41 0.00 2.87 2.77 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 0.00 0.00 0.00 0.00 *29 G 7.95 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 0.00 0.00 0.00 30 G 8.02 4.16 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 0.00 31 D 9.06 5.31 0.00 2.64 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 32 Y 7.67 5.43 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.85 4.46 0.00 1.77 1.61 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81 34 V 8.68 4.21 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 1.11 0.00 0.00 1.18 0.00 0.00 35 L 9.39 4.51 0.00 1.70 1.74 1.00 0.84 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 36 E 8.06 4.94 0.00 2.02 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 2.35 2.35 0.00 37 F 8.60 4.70 0.00 3.06 2.83 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 0.00 0.00 0.00 0.00 38 E 8.22 4.49 0.00 1.16 1.12 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 2.00 2.11 0.00 39 I 8.40 4.47 1.90 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.92 0.00 0.00 40 G 8.49 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.55 4.10 0.00 1.73 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 42 R 7.79 4.74 0.00 1.88 1.74 0.00 3.36 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 43 K 8.74 3.71 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.46 7.81 44 T 7.67 4.20 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 1.27 0.00 0.00 45 D 8.51 4.76 0.00 2.72 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 46 P 0.00 4.82 0.00 1.96 1.99 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 47 S 8.98 4.84 0.00 3.57 3.73 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 48 Y 8.17 5.27 0.00 2.98 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 49 A 8.78 4.95 1.15 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 0.00 0.00 50 K 8.85 5.00 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.54 7.81 51 I 8.61 5.07 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.10 0.00 0.00 52 L 9.01 4.79 0.00 1.78 1.67 0.88 0.97 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 53 V 8.55 4.97 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 0.91 0.00 0.00 1.01 0.00 0.00 54 I 9.15 4.82 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.98 0.00 0.00 55 G 8.72 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.23 0.00 1.95 2.09 0.00 3.05 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 57 D 7.55 4.59 0.00 2.90 2.79 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 58 E 8.26 3.37 0.00 1.16 1.49 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 2.23 1.47 0.00 59 R 7.94 3.79 0.00 1.86 2.07 0.00 3.23 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 60 H 8.48 4.16 0.00 3.38 3.52 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.11 3.66 2.30 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 1.04 0.00 0.00 1.15 0.00 0.00 62 D 8.51 4.53 0.00 2.92 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 63 E 7.93 3.96 0.00 2.16 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 2.33 2.35 0.00 64 I 7.57 3.66 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.95 0.00 0.00 65 L 8.40 3.98 0.00 1.66 1.77 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.28 4.34 0.00 2.92 2.86 0.00 0.00 6.99 7.49 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 67 E 8.09 3.97 0.00 2.22 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 2.51 0.00 68 L 8.21 4.06 0.00 1.92 1.72 0.93 0.80 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 69 R 8.10 4.17 0.00 1.98 2.12 0.00 3.13 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 70 D 8.03 4.37 0.00 2.90 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 71 L 7.97 4.01 0.00 1.95 1.75 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.69 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 73 A 7.56 4.15 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 74 E 7.95 4.10 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 75 I 7.53 3.77 1.85 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 1.27 0.84 0.92 0.00 0.00 76 P 0.00 4.40 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 77 E 8.15 4.18 0.00 1.98 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 2.35 2.18 0.00 78 I 7.27 5.14 1.94 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 1.26 0.68 0.91 0.00 0.00 79 E 8.84 4.77 0.00 2.04 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 2.16 2.19 0.00 80 E 8.61 5.19 0.00 2.00 1.80 0.00 0.00 0.00 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 2.24 0.00 81 V 8.43 4.53 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 0.64 0.00 0.00 0.89 0.00 0.00 82 E 8.68 4.81 0.00 1.85 1.88 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 2.28 2.34 0.00 83 L 8.60 4.74 0.00 1.51 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.65 4.13 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 85 P 0.00 4.40 0.00 2.46 1.90 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 86 A 8.48 4.33 1.26 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 87 E 7.86 4.66 0.00 1.89 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 2.20 2.21 0.00 88 K 8.78 4.10 0.00 1.82 1.70 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 0.99 7.81 89 D 7.66 4.59 0.00 2.66 2.62 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 *91 V 7.86 3.99 2.31 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 0.95 0.00 0.00 1.28 0.00 0.00 92 L 8.30 4.86 0.00 1.65 1.60 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.71 0.00 2.16 2.09 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 94 E 8.65 4.17 0.00 1.97 1.94 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 2.32 2.39 0.00 95 G 9.95 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 0.00 0.00 0.00 96 F 8.56 4.00 0.00 3.25 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 *97 Y 7.36 3.91 0.00 2.60 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.