NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.9696 8.4104 110.3285 60.9035 69.1756 172.0925 4 A 4.1518 7.4704 127.9096 53.2670 25.4326 176.3074 5 Y 4.3417 8.7997 114.6029 61.5179 39.8923 177.3007 6 D 4.3474 7.5068 118.8797 54.9176 41.8245 179.0627 7 V 3.6308 7.8525 119.1294 66.1022 32.1880 176.0699 8 I 3.9675 7.8095 120.6920 61.3661 36.9731 175.2025 9 L 4.8033 8.5752 125.8503 56.0659 44.1529 176.5865 10 A 4.7156 7.8124 116.5289 50.5722 22.3692 174.0904 11 P 4.7620 0.0000 0.0000 62.5925 32.5010 176.4958 12 V 4.0186 7.9028 116.5935 60.5569 32.4043 176.5201 13 L 4.5089 8.7339 126.7511 53.2857 41.1113 175.5892 14 S 4.3919 7.1603 116.3764 55.2345 66.0564 175.4335 15 E 3.6782 8.7419 122.1636 59.9387 28.9196 179.9622 16 K 3.8178 7.7244 117.3448 59.0307 32.4712 178.3755 17 A 4.0707 7.8219 121.6274 55.3319 18.2837 179.1578 18 Y 2.4779 7.1197 114.3518 61.0459 37.6930 178.7481 19 A 3.9745 7.7975 120.6591 55.3310 18.3630 179.7298 20 G 3.8199 8.3664 104.2151 47.6275 0.0000 176.0065 21 F 4.2258 8.7830 119.7622 61.8056 39.0346 176.7404 22 A 3.6991 7.9166 117.0304 55.6168 19.5859 179.9939 23 E 4.2555 7.8562 121.8873 54.9999 31.2255 176.3760 24 G 3.7347 8.5229 108.5323 46.7141 0.0000 172.3146 25 K 4.3783 7.4970 125.5211 52.9753 36.1189 171.1543 26 Y 4.8768 7.5866 116.1215 56.4178 41.7378 173.3191 27 T 4.5043 8.6939 112.0698 60.6791 70.6338 173.7747 28 F 5.1463 8.4831 124.6576 54.9626 43.6719 174.4150 29 W 4.6884 9.0710 121.3966 57.2821 29.6816 176.6184 30 V 4.5502 8.1056 125.2195 61.5715 33.3558 174.2499 31 H 4.4592 8.4821 121.1842 55.7288 29.7266 173.7103 32 P 4.2769 0.0000 0.0000 65.0459 31.4901 176.1908 33 K 4.5175 8.2046 115.6688 55.5765 35.2361 175.9324 34 A 3.5427 8.2674 116.4448 54.8643 17.4719 181.2878 35 T 3.3584 12.0000 108.2681 65.4249 69.2886 173.5737 36 K 4.6772 7.6368 117.3098 54.7064 33.1596 176.3025 37 T 3.9460 8.7379 119.5172 66.3693 68.7455 174.3260 38 E 4.5603 7.7158 121.1776 56.5220 29.2211 177.9392 39 I 4.0803 7.6646 111.9855 61.7666 38.3199 175.5782 40 K 3.6452 8.1327 120.3273 60.8223 31.6548 176.8269 41 N 4.3579 7.9313 116.2732 54.6978 39.3461 175.0177 42 A 4.3893 8.3359 121.5635 53.7758 20.9635 178.9328 43 V 3.4550 7.9173 117.0340 66.1665 30.9844 177.9850 44 E 4.1237 8.1290 116.9792 59.0255 29.6225 178.2582 45 T 4.0881 7.7149 107.8682 62.9247 69.3954 175.7501 46 A 4.2527 7.4147 123.2595 53.3213 18.9690 177.6106 47 F 4.8438 7.5439 114.2006 58.8214 40.6028 176.5671 48 K 4.1127 7.8882 115.2262 57.4216 28.4862 172.6556 49 V 4.6253 7.7584 115.1938 59.4582 37.0560 175.8830 50 K 4.6215 8.3902 121.5524 54.7111 34.2910 175.0760 51 V 4.0103 9.2653 129.1518 63.0369 31.5434 175.6507 52 V 4.3051 8.5449 126.4916 63.6737 33.7817 175.5610 53 K 4.7195 7.7891 119.8099 54.6747 35.9256 175.1013 54 V 4.8802 8.3980 125.3317 61.2597 34.5378 174.1021 55 N 5.3273 9.3049 125.0754 51.7306 41.8712 173.6162 56 T 5.2486 8.2370 110.3120 60.5537 71.9632 172.8602 57 L 4.6309 8.7505 120.3726 54.2566 46.6241 174.7335 58 H 4.9947 8.7725 119.3190 55.6732 30.8729 176.3059 59 V 4.4939 8.9275 112.5162 62.6371 33.7871 177.9219 60 R 3.1507 8.2102 123.9719 53.0292 33.2196 175.0257 61 G 4.2634 7.6985 111.4106 45.1371 0.0000 172.2480 62 K 4.3008 7.9967 120.4243 55.6242 33.3562 176.8912 63 K 4.3995 8.1353 125.8346 56.3276 34.4502 175.0211 64 K 4.3910 8.1498 117.0639 56.6212 34.7842 176.0051 65 R 4.0986 8.6934 124.8008 57.3140 30.7563 173.3556 66 L 3.9490 9.7517 126.3334 54.7394 41.2506 173.8545 67 G 4.0588 6.7563 109.7503 44.7057 0.0000 174.8331 68 R 4.8519 8.8456 120.0022 57.5417 32.2411 169.6178 69 Y 3.3407 8.3485 123.0185 58.2503 34.9954 168.8203 70 L 4.5021 8.1927 126.7364 53.5740 46.0389 179.3336 71 G 3.5605 9.0350 109.5385 45.5114 0.0000 173.2569 72 K 4.1349 8.2210 127.0817 55.6335 38.7961 175.0594 73 R 4.6446 8.1423 110.7270 57.3650 31.4992 172.7657 74 P 4.2970 0.0000 0.0000 59.1849 31.8738 175.2910 75 D 4.9142 8.9991 124.3095 54.5700 42.9287 174.6863 76 R 4.6682 10.2008 118.7409 55.4455 33.4791 173.6821 77 K 4.7646 7.6364 116.6215 55.4785 36.1237 173.6681 78 K 4.6698 7.9709 117.2485 55.9955 34.2832 175.6994 79 A 4.7525 8.1103 125.5896 51.3604 19.2788 177.1889 80 I 3.8789 9.2465 123.6403 61.9467 39.4604 172.8644 81 V 3.7103 7.9364 127.9353 61.8690 32.4284 170.9212 82 Q 4.0143 8.8913 128.1051 56.0224 29.3933 176.4868 83 V 3.4610 8.2169 115.4978 64.6183 32.0060 174.1934 84 A 4.2811 9.2394 128.9027 52.4250 15.8936 177.8829 85 P 4.3153 0.0000 0.0000 65.5034 31.4829 177.9144 86 G 3.9832 7.1628 107.5011 45.4756 0.0000 173.3737 87 Q 4.5157 7.4768 122.0328 54.8400 32.3266 172.5985 88 K 3.8282 8.9849 124.3960 56.9807 32.3331 177.6596 89 I 3.2864 8.3220 120.0388 61.9626 35.2020 174.6932 90 E 3.8009 7.3021 121.0237 58.6493 29.7969 177.4130 91 A 4.0716 7.8306 125.0724 54.0672 19.0049 177.3646 92 L 4.2242 7.4913 116.1656 54.8502 42.6282 176.5189 93 E 3.5292 9.8298 124.2717 56.9761 28.1844 174.7368 94 G 3.4096 7.9081 112.0559 45.8746 0.0000 174.3712 *95 L 4.1219 8.1297 122.5371 53.9632 41.6291 179.1328 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 T 8.41 4.97 4.21 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 1.19 0.00 0.00 4 A 7.47 4.15 0.85 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 0.00 0.00 5 Y 8.80 4.34 0.00 3.13 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 6 D 7.51 4.35 0.00 2.72 2.67 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 7 V 7.85 3.63 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 0.95 0.00 0.00 0.87 0.00 0.00 8 I 7.81 3.97 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.26 0.76 0.00 0.00 9 L 8.58 4.80 0.00 1.91 1.80 1.06 0.67 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 10 A 7.81 4.72 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.13 2.20 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 12 V 7.90 4.02 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 0.00 0.00 -0.02 0.00 0.00 0.65 0.00 0.00 13 L 8.73 4.51 0.00 1.72 1.79 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.16 4.39 0.00 3.78 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 15 E 8.74 3.68 0.00 1.96 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 2.38 2.45 0.00 16 K 7.72 3.82 0.00 1.65 1.72 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.45 7.81 17 A 7.82 4.07 1.10 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 0.00 0.00 0.00 0.00 0.00 18 Y 7.12 2.48 0.00 2.74 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 0.00 0.00 0.00 0.00 19 A 7.80 3.97 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 20 G 8.37 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 21 F 8.78 4.23 0.00 2.79 3.16 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 22 A 7.92 3.70 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 23 E 7.86 4.26 0.00 1.78 1.90 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 2.33 2.32 0.00 24 G 8.52 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 0.00 0.00 0.00 25 K 7.50 4.38 0.00 1.77 2.19 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.38 7.81 26 Y 7.59 4.88 0.00 3.21 3.14 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 27 T 8.69 4.50 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 1.18 0.00 0.00 28 F 8.48 5.15 0.00 2.96 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 29 W 9.07 4.69 0.00 3.42 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 30 V 8.11 4.55 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 0.79 0.00 0.00 1.07 0.00 0.00 31 H 8.48 4.46 0.00 3.31 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.28 0.00 2.15 2.13 0.00 3.75 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 1.81 1.96 0.00 33 K 8.20 4.52 0.00 1.95 2.01 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.43 7.81 34 A 8.27 3.54 1.31 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 0.00 0.00 35 T 12.00 3.36 4.70 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 1.26 0.00 0.00 36 K 7.64 4.68 0.00 2.04 1.99 0.00 1.29 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.65 7.81 37 T 8.74 3.95 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 1.21 0.00 0.00 38 E 7.72 4.56 0.00 1.95 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 2.33 2.37 0.00 39 I 7.66 4.08 1.82 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 1.49 1.16 0.94 0.00 0.00 40 K 8.13 3.65 0.00 1.95 1.76 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.51 7.81 41 N 7.93 4.36 0.00 2.67 2.81 0.00 0.00 6.64 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 42 A 8.34 4.39 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 43 V 7.92 3.45 2.13 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 1.11 0.00 0.00 0.50 0.00 0.00 44 E 8.13 4.12 0.00 2.39 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 2.33 2.34 0.00 45 T 7.71 4.09 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 1.11 0.00 0.00 46 A 7.41 4.25 0.62 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 47 F 7.54 4.84 0.00 3.05 2.98 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 48 K 7.89 4.11 0.00 1.87 2.07 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.76 4.63 2.13 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 0.73 0.00 0.00 1.05 0.00 0.00 50 K 8.39 4.62 0.00 1.80 1.66 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 51 V 9.27 4.01 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 0.94 0.00 0.00 52 V 8.54 4.31 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 0.84 0.00 0.00 0.96 0.00 0.00 53 K 7.79 4.72 0.00 1.82 1.56 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 54 V 8.40 4.88 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 0.88 0.00 0.00 0.99 0.00 0.00 55 N 9.30 5.33 0.00 2.66 2.66 0.00 0.00 6.14 6.99 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 56 T 8.24 5.25 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 57 L 8.75 4.63 0.00 1.67 1.59 0.97 0.95 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 58 H 8.77 4.99 0.00 3.08 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.93 4.49 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 0.88 0.00 0.00 1.21 0.00 0.00 60 R 8.21 3.15 0.00 1.83 2.15 0.00 3.31 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 61 G 7.70 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 62 K 8.00 4.30 0.00 1.72 1.50 0.00 1.30 0.00 0.00 1.09 0.00 0.00 2.43 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.28 7.81 63 K 8.14 4.40 0.00 1.82 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.40 7.81 64 K 8.15 4.39 0.00 1.62 1.60 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.36 7.81 65 R 8.69 4.10 0.00 1.76 1.78 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 66 L 9.75 3.95 0.00 1.83 1.84 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.76 4.06 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 0.00 0.00 0.00 68 R 8.85 4.85 0.00 1.59 1.83 0.00 2.41 0.00 0.00 3.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 69 Y 8.35 3.34 0.00 3.14 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 70 L 8.19 4.50 0.00 1.57 1.73 0.91 1.19 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 71 G 9.04 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 72 K 8.22 4.13 0.00 1.79 1.62 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 1.37 7.81 73 R 8.14 4.64 0.00 1.92 2.14 0.00 3.00 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 74 P 0.00 4.30 0.00 2.23 1.90 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 75 D 9.00 4.91 0.00 2.95 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 76 R 10.20 4.67 0.00 1.76 2.08 0.00 2.79 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.70 0.00 77 K 7.64 4.76 0.00 1.80 2.28 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.01 7.81 78 K 7.97 4.67 0.00 2.00 1.86 0.00 1.24 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.40 7.81 79 A 8.11 4.75 1.31 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 0.00 0.00 80 I 9.25 3.88 1.88 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 1.13 1.35 0.96 0.00 0.00 81 V 7.94 3.71 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 0.79 0.00 0.00 0.95 0.00 0.00 82 Q 8.89 4.01 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 V 8.22 3.46 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 0.75 0.00 0.00 0.94 0.00 0.00 84 A 9.24 4.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.32 0.00 2.07 2.16 0.00 4.09 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 2.04 2.11 0.00 86 G 7.16 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 87 Q 7.48 4.52 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 5.94 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 88 K 8.98 3.83 0.00 1.98 1.80 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.56 7.81 89 I 8.32 3.29 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.74 0.00 0.00 90 E 7.30 3.80 0.00 1.86 1.85 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 2.42 2.33 0.00 91 A 7.83 4.07 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 L 7.49 4.22 0.00 1.75 1.59 0.96 0.91 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 93 E 9.83 3.53 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 94 G 7.91 3.41 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 *95 L 8.13 4.12 0.00 1.42 1.50 0.92 0.71 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 * Residues marked with a * may have inaccurate shift predictions.