NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 R 4.3862 8.2549 119.0734 56.3005 30.7078 176.0489 10 M 4.7937 8.3372 116.7888 54.1046 35.6193 173.4767 11 L 4.1931 9.0396 121.9781 54.0788 43.4081 175.3021 12 P 4.6171 0.0000 0.0000 62.8181 32.3632 175.7415 13 R 4.6162 9.1226 122.0316 54.4937 33.6316 173.5740 14 L 4.9394 8.5073 127.4479 53.9896 43.6422 175.0040 15 C 4.7513 9.0640 124.2794 58.1545 30.9687 172.6329 16 C 5.0443 8.7381 121.9518 58.2259 29.3256 173.0817 17 L 4.6468 8.7243 125.1263 53.1980 43.5646 175.4667 18 E 4.9489 8.6716 124.1866 54.0923 30.9017 175.3646 19 K 3.5553 9.1002 129.7281 56.8541 33.1049 176.4857 20 G 4.1766 8.3508 116.3419 42.7969 0.0000 171.7273 21 P 4.1965 0.0000 0.0000 65.4099 30.7958 176.7293 22 N 4.8435 7.9576 112.5344 52.6454 39.9831 173.1043 23 G 3.7081 7.4864 104.5279 44.6389 0.0000 174.5204 24 Y 4.3558 8.7061 115.1310 58.5455 38.7497 176.2551 25 G 3.7922 8.6252 107.5829 46.1533 0.0000 172.2760 26 F 5.5253 7.6267 112.4734 55.2456 41.9021 173.0231 27 H 4.9381 9.2135 114.7461 53.9901 32.5542 172.9886 28 L 5.6016 8.3929 120.9380 53.7507 44.9400 175.0407 29 H 4.7611 9.0987 115.5636 55.0151 32.3752 173.3547 30 G 4.3267 8.5687 107.2256 44.8725 0.0000 172.5295 31 E 4.5914 8.3236 117.3309 53.4661 33.0575 175.6027 32 K 4.0276 8.3661 122.7617 58.0425 32.3948 177.3410 33 G 3.9538 8.9991 113.9796 45.4452 0.0000 172.7458 34 K 4.7529 7.6676 117.9387 54.4053 35.1323 176.2323 35 L 4.2243 8.6238 120.6248 56.9458 41.9965 177.6233 36 G 4.0232 7.8372 106.8523 44.5841 0.0000 171.4258 37 Q 5.0191 8.2318 116.9473 54.6866 31.2929 174.7775 38 Y 5.1684 9.4476 119.6015 56.0285 42.8753 174.8901 39 I 4.5222 8.8228 123.3372 61.4015 37.4742 177.0415 40 R 4.0276 9.2078 129.7328 59.0757 30.8028 176.5410 41 L 4.5026 7.7284 117.4831 54.0237 45.6007 173.5314 42 V 4.7576 8.4100 125.4675 61.1010 33.6159 174.8181 43 E 4.3351 9.2572 128.5403 55.2396 30.5988 174.9465 44 P 5.1266 0.0000 0.0000 63.6224 31.8572 177.0503 45 G 3.9536 8.9684 109.9882 46.0311 0.0000 174.4873 46 S 4.5067 7.7058 115.1953 57.1956 65.3816 173.3228 47 P 4.2951 0.0000 0.0000 65.5158 31.0247 178.8808 48 A 3.9598 8.1490 119.7952 55.1243 18.3143 179.3049 49 E 3.8919 8.2383 117.8035 59.4501 29.5384 179.2128 50 K 4.0345 8.1506 117.1665 58.8383 32.1611 178.1717 51 A 4.4410 7.8932 118.6628 51.7902 18.9500 177.8616 52 G 3.8465 7.8813 105.7354 45.3343 0.0000 174.1728 53 L 4.1485 7.6385 118.9364 54.2712 42.3924 176.6042 54 L 4.8091 8.8703 120.8662 52.3284 45.2750 176.3318 55 A 4.3361 8.4275 124.6225 53.9044 18.8037 178.1346 56 G 4.1179 9.2686 111.2330 45.0638 0.0000 173.9330 57 D 4.6648 7.9589 120.3382 54.6995 42.1729 175.3571 58 R 4.1492 8.8700 123.5996 54.7001 31.9568 174.9638 59 L 4.3913 8.0834 127.0412 54.5615 41.9969 176.4101 60 V 4.0821 8.9484 124.4362 64.2475 32.9764 175.4199 61 E 5.2209 7.8646 117.7505 54.5004 34.5161 174.6356 62 V 4.4371 8.4175 121.8232 61.3451 34.3529 175.4977 63 N 4.1907 10.0229 128.0733 54.4709 36.5385 175.5639 64 G 3.9443 8.2632 103.3989 44.8921 0.0000 173.1487 65 E 4.5533 7.7567 120.2106 54.0355 31.1717 175.0126 66 N 4.8361 8.6994 122.6039 53.9807 39.7187 174.6980 67 V 4.4531 8.7388 117.7727 61.1111 32.6625 177.4961 68 E 3.9878 8.3719 121.7227 58.6540 29.3179 177.8776 69 K 4.5058 7.8686 114.7685 55.9338 33.0931 175.8431 70 E 4.4492 7.6684 118.9134 55.6640 30.5411 176.9713 71 T 4.3049 8.6864 111.9261 61.1793 71.0745 175.2266 72 H 4.0623 8.7823 120.6895 59.8110 29.6812 176.9247 73 Q 3.9223 8.1199 120.5069 59.2645 28.9844 178.0649 74 Q 3.9674 8.0710 119.0899 58.9136 28.6131 179.0081 75 V 3.5707 7.9263 119.2791 65.9077 31.5833 178.1431 76 V 3.5312 7.9262 118.2753 66.3007 31.3250 178.2294 77 S 4.2318 8.3846 115.0150 61.6000 62.3777 176.9067 78 R 3.9890 7.6832 119.6859 59.0302 30.0385 178.8634 79 I 3.9629 7.4953 119.7496 64.2050 37.0863 178.3454 80 R 3.9125 8.2785 118.9724 59.2172 29.9910 177.0735 81 A 4.1048 7.9998 118.0398 52.8597 18.5777 177.3909 82 A 4.4820 7.7121 119.8494 50.6755 17.6754 177.4039 83 L 4.2539 8.3584 121.5922 57.4026 42.5093 177.9994 84 N 5.0295 8.2773 114.3010 54.2626 41.7175 174.2739 85 A 5.4327 7.9149 116.8525 50.7750 22.5419 176.1084 86 V 4.4101 8.6886 118.9396 60.0786 35.3755 174.3212 87 R 4.8443 8.5535 122.6757 54.6434 32.2696 174.8479 88 L 5.0194 8.8475 125.0028 52.7549 44.5011 175.2721 89 L 4.8402 8.6414 127.1079 54.0458 43.4963 175.7963 90 V 4.9610 8.9758 119.1231 59.4983 36.5357 174.5485 91 V 4.6319 8.2733 121.7588 61.0676 33.6365 174.9185 92 D 5.7835 9.0120 127.7161 52.9860 41.6256 174.5127 93 P 4.5627 0.0000 0.0000 63.1668 32.0496 175.3606 94 E 4.7656 8.2786 120.0033 55.2091 33.5908 174.6479 95 T 4.1420 7.7052 111.8586 62.3662 69.7316 172.4360 96 D 4.7221 8.7884 124.4953 53.9221 41.4767 175.9453 97 E 4.2183 8.0761 121.6713 54.9500 29.2795 175.1909 98 Q 4.5011 8.5527 128.2380 54.3840 30.2672 175.1961 99 L 4.3309 8.4519 124.4228 54.8929 42.0311 176.3936 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 *9 R 8.25 4.39 0.00 1.85 1.37 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 10 M 8.34 4.79 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 11 L 9.04 4.19 0.00 1.62 1.59 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.62 0.00 1.91 1.95 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 13 R 9.12 4.62 0.00 1.76 1.67 0.00 3.05 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 14 L 8.51 4.94 0.00 1.64 1.51 0.90 0.86 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 15 C 9.06 4.75 0.00 2.73 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 16 C 8.74 5.04 0.00 2.82 2.86 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 0.00 0.00 0.00 17 L 8.72 4.65 0.00 1.53 1.75 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.67 4.95 0.00 2.01 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 2.24 2.32 0.00 19 K 9.10 3.56 0.00 1.41 1.51 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.05 0.21 7.81 20 G 8.35 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.20 0.00 2.17 2.21 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 22 N 7.96 4.84 0.00 2.67 2.80 0.00 0.00 7.07 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 23 G 7.49 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.71 4.36 0.00 3.15 3.32 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 25 G 8.63 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 0.00 0.00 0.00 26 F 7.63 5.53 0.00 3.13 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 27 H 9.21 4.94 0.00 3.12 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.39 5.60 0.00 1.59 1.86 1.00 1.31 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 29 H 9.10 4.76 0.00 3.21 3.37 0.00 5.27 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.57 4.33 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 0.00 31 E 8.32 4.59 0.00 1.24 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 1.84 1.47 0.00 32 K 8.37 4.03 0.00 1.65 1.66 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 33 G 9.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.67 4.75 0.00 1.88 1.88 0.00 1.42 0.00 0.00 1.83 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.48 7.81 35 L 8.62 4.22 0.00 1.67 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.84 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 0.00 0.00 0.00 37 Q 8.23 5.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 38 Y 9.45 5.17 0.00 2.94 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 39 I 8.82 4.52 2.07 0.00 0.00 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 1.17 0.67 1.05 0.00 0.00 40 R 9.21 4.03 0.00 1.48 2.04 0.00 3.18 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 41 L 7.73 4.50 0.00 1.78 1.49 0.95 0.83 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 42 V 8.41 4.76 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 0.92 0.00 0.00 0.99 0.00 0.00 43 E 9.26 4.34 0.00 2.08 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 2.44 2.46 0.00 44 P 0.00 5.13 0.00 2.05 2.01 0.00 3.82 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 45 G 8.97 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.71 4.51 0.00 4.39 4.12 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 47 P 0.00 4.30 0.00 2.41 2.50 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 48 A 8.15 3.96 1.45 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 0.00 0.00 0.00 49 E 8.24 3.89 0.00 2.09 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 0.00 2.32 2.36 0.00 50 K 8.15 4.03 0.00 1.94 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.62 7.81 51 A 7.89 4.44 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 52 G 7.88 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 0.00 0.00 0.00 53 L 7.64 4.15 0.00 1.66 1.44 0.25 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.87 4.81 0.00 1.79 1.51 0.92 1.26 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 55 A 8.43 4.34 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 56 G 9.27 4.12 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 0.00 0.00 0.00 57 D 7.96 4.66 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.15 0.00 1.71 1.64 0.00 2.99 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.00 59 L 8.08 4.39 0.00 1.61 1.51 0.85 0.80 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 60 V 8.95 4.08 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 1.04 0.00 0.00 0.86 0.00 0.00 61 E 7.86 5.22 0.00 1.86 1.72 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 2.26 2.25 0.00 62 V 8.42 4.44 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 0.96 0.00 0.00 0.91 0.00 0.00 63 N 10.02 4.19 0.00 2.80 2.82 0.00 0.00 7.13 7.50 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 64 G 8.26 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 0.00 0.00 0.00 65 E 7.76 4.55 0.00 2.11 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 2.23 2.35 0.00 66 N 8.70 4.84 0.00 2.64 2.71 0.00 0.00 6.93 7.71 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 67 V 8.74 4.45 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 0.90 0.00 0.00 0.92 0.00 0.00 68 E 8.37 3.99 0.00 1.94 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 2.26 2.45 0.00 69 K 7.87 4.51 0.00 1.71 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 70 E 7.67 4.45 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 2.24 0.00 71 T 8.69 4.30 4.27 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 1.23 0.00 0.00 72 H 8.78 4.06 0.00 3.31 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.12 3.92 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 74 Q 8.07 3.97 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 75 V 7.93 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 76 V 7.93 3.53 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 0.95 0.00 0.00 0.76 0.00 0.00 77 S 8.38 4.23 0.00 4.06 3.90 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 78 R 7.68 3.99 0.00 1.97 1.99 0.00 3.15 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 79 I 7.50 3.96 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.96 0.00 0.00 80 R 8.28 3.91 0.00 1.80 1.97 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 81 A 8.00 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 82 A 7.71 4.48 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 83 L 8.36 4.25 0.00 1.67 1.74 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.28 5.03 0.00 2.72 2.82 0.00 0.00 6.81 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 85 A 7.91 5.43 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 86 V 8.69 4.41 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 0.03 0.00 0.00 0.85 0.00 0.00 87 R 8.55 4.84 0.00 1.73 1.84 0.00 3.05 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 88 L 8.85 5.02 0.00 1.35 1.40 0.42 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.64 4.84 0.00 1.72 1.57 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.98 4.96 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 0.49 0.00 0.00 0.92 0.00 0.00 91 V 8.27 4.63 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 1.07 0.00 0.00 0.90 0.00 0.00 92 D 9.01 5.78 0.00 2.60 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 93 P 0.00 4.56 0.00 2.10 2.25 0.00 3.75 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 2.01 2.22 0.00 94 E 8.28 4.77 0.00 1.93 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 2.37 2.21 0.00 95 T 7.71 4.14 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 1.26 0.00 0.00 96 D 8.79 4.72 0.00 2.68 2.64 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 0.00 0.00 0.00 97 E 8.08 4.22 0.00 1.94 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 2.27 2.23 0.00 98 Q 8.55 4.50 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 99 L 8.45 4.33 0.00 1.65 1.53 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.