NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6289 8.3049 120.2770 55.2300 33.8685 174.0681 2 K 4.5260 8.8582 119.3881 54.2473 36.0123 174.3744 3 L 4.9130 8.6216 124.3623 54.3702 44.3201 175.0633 4 A 4.5957 8.0857 121.0511 51.0369 23.3307 175.3890 5 V 4.3675 8.0171 119.5745 59.5135 34.3516 175.4163 6 V 4.1416 8.6883 124.9815 63.3427 31.4623 176.2805 7 T 4.3656 8.7204 119.7413 63.2924 69.8843 174.8203 8 G 4.0534 7.0490 106.4270 46.3842 0.0000 171.3803 9 Q 5.0012 8.7933 120.1151 54.3778 32.2993 175.5032 10 I 4.4199 8.5371 126.9005 59.6361 38.8342 175.2832 11 V 4.1039 8.3611 127.1399 61.6759 32.4732 175.3248 12 C 4.6434 8.2629 124.2190 58.2269 29.8615 173.8880 13 T 3.8921 8.4711 115.0019 64.2949 68.8278 175.7887 14 V 3.7892 7.5961 123.2950 61.9378 31.4360 174.6856 15 R 4.6290 7.9796 125.9831 54.8416 33.1757 173.6283 16 H 4.4175 8.6749 122.2991 56.0710 30.5193 176.0266 17 H 4.1261 8.8830 124.0287 58.9546 28.2267 178.0436 18 G 3.6316 7.5779 106.4697 47.3284 0.0000 174.6618 19 L 4.2339 7.9731 120.0174 54.9665 42.5509 176.8231 20 A 4.1000 6.8470 120.9778 54.2581 18.8365 176.2792 21 H 4.0947 8.8110 113.7485 57.1399 26.2962 174.5354 22 D 5.0531 7.9920 115.8879 52.4555 45.0689 175.0237 23 K 4.6335 8.9856 121.6178 54.7318 35.2743 174.6743 24 L 5.0569 8.4062 125.7389 53.1498 44.0015 175.1878 25 L 5.0406 8.8888 124.3555 53.1242 44.9314 175.1318 26 M 4.8096 8.6544 122.8853 54.5786 33.7340 175.2965 27 V 4.9131 8.8432 119.0758 59.4417 36.3187 174.0528 28 E 4.8573 8.6956 124.0388 54.4579 32.3929 175.3684 29 M 4.5520 8.3679 126.3457 55.4103 33.5885 175.0953 30 I 4.7549 7.7072 122.6324 59.3806 39.3452 175.8642 31 D 4.6274 9.0848 127.1595 51.7006 40.4210 175.3468 32 P 4.3633 0.0000 0.0000 65.7929 31.2266 177.3985 33 Q 4.3211 8.3086 114.2022 55.6064 28.7732 176.2774 34 G 4.1978 8.7115 106.4921 45.8324 0.0000 173.1580 35 N 4.9678 8.1865 117.2481 50.2710 40.2633 172.9714 36 P 4.5746 0.0000 0.0000 63.4039 31.7234 176.1588 37 D 4.7633 8.9207 123.7933 53.1041 39.3836 177.0151 38 G 3.8731 7.8518 112.4362 46.7394 0.0000 173.8835 39 Q 3.9619 7.5371 125.7525 56.1109 29.2605 175.5781 40 C 4.5938 8.5000 124.4191 59.2942 33.2982 171.4248 41 A 4.5450 8.9812 123.1924 51.3726 23.0663 174.8462 42 V 4.7926 8.3000 118.2837 61.2568 33.4967 174.7433 43 A 4.9945 8.7523 128.7166 50.0367 22.5273 175.2927 44 I 4.2431 8.6735 122.2724 61.3012 38.9868 175.1826 45 D 4.9107 9.2858 125.5575 53.1029 43.8217 174.9939 46 N 4.9220 8.9327 122.3369 52.7800 38.2846 175.7766 47 I 3.8892 7.9525 120.1164 65.3809 38.1184 175.9799 48 G 4.1037 7.9933 108.4146 45.9931 0.0000 172.5421 49 A 4.7325 9.1657 123.1677 50.7813 20.7729 178.0261 50 G 4.0348 9.1070 112.8323 43.8662 0.0000 173.2338 51 T 4.0206 8.0878 109.6966 62.9509 69.1980 173.1876 52 G 4.2789 9.2807 112.4769 45.6619 0.0000 174.2260 53 E 4.4084 7.7856 118.1739 56.2667 30.7339 176.7490 54 W 5.0159 8.9810 122.3832 56.1448 31.4200 175.7247 55 V 4.9750 8.8504 115.4839 59.6545 36.0044 174.0464 56 L 4.9650 8.7201 125.0781 53.7849 44.0388 175.1432 57 L 5.3227 9.1757 126.0110 52.9117 44.9918 176.0658 58 V 4.3303 8.4953 123.5880 60.9700 33.8197 175.6119 59 S 4.6502 8.4935 119.4689 57.0129 62.8183 173.3340 60 G 4.5126 8.7064 116.4308 45.4177 0.0000 171.0824 *74 V 3.9862 7.3304 115.3147 60.6954 33.8716 176.0996 75 D 4.6418 7.3353 118.8177 54.7282 44.4833 174.4111 76 L 4.9835 7.9800 114.2013 54.1598 44.1892 175.6375 77 C 5.2388 8.5809 120.4251 57.6762 32.4638 173.6183 78 V 4.2479 8.6404 124.6124 62.8028 31.4706 175.5660 79 I 4.5009 9.1970 120.8069 59.4440 38.4653 175.6671 80 G 4.2445 7.3549 114.8129 46.0467 0.0000 171.6578 81 I 4.7070 7.9882 121.1725 59.2603 39.0213 175.5267 82 V 4.0885 8.6236 126.1583 62.4657 31.5421 175.5516 83 D 4.6855 9.0030 128.6293 57.1423 41.9991 175.9664 84 E 5.0247 7.6808 112.3433 55.6211 32.3064 175.4096 85 V 4.5221 8.7216 120.3505 61.3344 35.0019 174.0227 86 V 4.8135 8.6146 127.1785 60.4851 33.6013 174.7770 87 S 4.7906 9.0635 121.8638 58.0906 61.8803 178.1002 88 G 3.9022 8.5211 100.3055 44.9881 0.0000 172.1702 89 G 4.0986 8.3482 110.6320 45.3278 0.0000 171.3986 90 Q 4.5980 7.5711 117.8972 53.6817 31.1849 174.8068 91 V 4.2379 8.3379 122.3251 62.8363 31.7035 175.5287 92 I 4.3928 8.2944 120.7550 61.2315 38.7107 175.5486 93 F 4.5875 7.6377 124.2048 57.5200 42.5616 171.9879 94 H 4.4470 7.3740 124.3226 53.5904 33.0458 172.6968 95 K 3.7525 8.0153 125.8453 56.9527 31.5760 175.9666 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 1 M 8.30 4.63 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 2 K 8.86 4.53 0.00 1.61 1.59 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.46 7.81 3 L 8.62 4.91 0.00 1.43 1.32 1.05 0.90 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 4 A 8.09 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.02 4.37 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 0.54 0.00 0.00 1.02 0.00 0.00 6 V 8.69 4.14 2.24 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 0.85 0.00 0.00 1.00 0.00 0.00 7 T 8.72 4.37 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 1.22 0.00 0.00 8 G 7.05 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 0.00 0.00 0.00 9 Q 8.79 5.00 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 10 I 8.54 4.42 1.87 0.00 0.00 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 1.10 0.61 0.91 0.00 0.00 11 V 8.36 4.10 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 0.81 0.00 0.00 0.93 0.00 0.00 12 C 8.26 4.64 0.00 2.93 2.96 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 0.00 0.00 0.00 13 T 8.47 3.89 4.23 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 1.20 0.00 0.00 14 V 7.60 3.79 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 0.78 0.00 0.00 0.93 0.00 0.00 15 R 7.98 4.63 0.00 1.90 1.70 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 16 H 8.67 4.42 0.00 3.18 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.88 4.13 0.00 3.17 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.58 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.23 0.00 1.75 1.81 0.93 1.10 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 20 A 6.85 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 21 H 8.81 4.09 0.00 3.29 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.99 5.05 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 4.63 0.00 1.83 1.67 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 24 L 8.41 5.06 0.00 1.81 1.55 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.89 5.04 0.00 1.65 1.53 0.94 0.68 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 26 M 8.65 4.81 0.00 2.16 1.92 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 2.52 2.48 0.00 27 V 8.84 4.91 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 0.57 0.00 0.00 0.91 0.00 0.00 28 E 8.70 4.86 0.00 1.93 1.64 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 2.08 2.17 0.00 29 M 8.37 4.55 0.00 1.85 2.24 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 2.55 2.73 0.00 30 I 7.71 4.75 1.39 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.36 0.65 0.00 0.00 31 D 9.08 4.63 0.00 2.79 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 32 P 0.00 4.36 0.00 2.07 2.21 0.00 3.66 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 2.04 2.14 0.00 33 Q 8.31 4.32 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 34 G 8.71 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.97 0.00 3.01 2.75 0.00 0.00 7.00 8.18 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 36 P 0.00 4.57 0.00 2.00 1.92 0.00 3.67 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 2.04 2.02 0.00 37 D 8.92 4.76 0.00 2.67 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 38 G 7.85 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.54 3.96 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 40 C 8.50 4.59 0.00 2.97 2.84 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 41 A 8.98 4.54 1.16 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 42 V 8.30 4.79 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 0.81 0.00 0.00 0.92 0.00 0.00 43 A 8.75 4.99 1.18 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 44 I 8.67 4.24 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 1.11 0.62 0.93 0.00 0.00 45 D 9.29 4.91 0.00 2.72 2.61 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 46 N 8.93 4.92 0.00 2.85 3.03 0.00 0.00 6.30 7.81 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 47 I 7.95 3.89 1.99 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 1.36 0.85 0.93 0.00 0.00 48 G 7.99 4.10 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 0.00 49 A 9.17 4.73 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 50 G 9.11 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 51 T 8.09 4.02 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 1.25 0.00 0.00 52 G 9.28 4.28 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 0.00 53 E 7.79 4.41 0.00 2.17 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 2.37 0.00 54 W 8.98 5.02 0.00 2.88 2.84 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 55 V 8.85 4.98 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 0.89 0.00 0.00 0.95 0.00 0.00 56 L 8.72 4.96 0.00 1.79 1.54 0.98 0.61 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 57 L 9.18 5.32 0.00 1.60 1.48 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.50 4.33 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 0.72 0.00 0.00 0.93 0.00 0.00 59 S 8.49 4.65 0.00 3.74 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 60 G 8.71 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 3.99 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 0.70 0.00 0.00 0.93 0.00 0.00 75 D 7.34 4.64 0.00 2.68 2.35 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 76 L 7.98 4.98 0.00 1.82 1.55 0.90 0.83 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 77 C 8.58 5.24 0.00 2.80 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 78 V 8.64 4.25 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 0.81 0.00 0.00 0.93 0.00 0.00 79 I 9.20 4.50 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 1.32 0.86 0.96 0.00 0.00 80 G 7.35 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 0.00 0.00 0.00 0.00 81 I 7.99 4.71 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 1.11 0.00 0.00 82 V 8.62 4.09 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 0.98 0.00 0.00 1.07 0.00 0.00 83 D 9.00 4.69 0.00 2.61 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 84 E 7.68 5.02 0.00 1.89 1.47 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 2.02 2.21 0.00 85 V 8.72 4.52 2.23 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 1.05 0.00 0.00 1.13 0.00 0.00 86 V 8.61 4.81 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 0.88 0.00 0.00 0.94 0.00 0.00 87 S 9.06 4.79 0.00 3.84 3.38 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 88 G 8.52 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 0.00 0.00 0.00 89 G 8.35 4.10 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 0.00 90 Q 7.57 4.60 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 91 V 8.34 4.24 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 0.86 0.00 0.00 0.92 0.00 0.00 92 I 8.29 4.39 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 1.01 0.00 0.00 93 F 7.64 4.59 0.00 2.14 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 7.37 4.45 0.00 2.90 2.78 0.00 5.82 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 95 K 8.02 3.75 0.00 1.71 1.57 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.