NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3001 A 4.3802 8.3645 123.5813 52.1335 21.2042 177.8799 3002 S 4.5471 7.8751 124.2101 57.4280 60.5462 179.7994 3003 R 3.4426 9.9310 110.6275 59.1546 26.0109 174.9580 3004 G 4.1742 8.4371 108.4713 45.0917 0.0000 170.8358 3005 V 4.1708 8.0920 119.1531 60.6592 33.3627 174.4942 3006 N 4.8090 8.6912 126.0950 51.8688 39.4308 173.3427 3007 K 4.9196 8.2919 126.7248 55.0305 35.6141 175.2706 3008 V 4.5465 8.8064 126.5351 59.9043 34.5673 174.3625 3009 I 4.8272 8.3833 124.0908 59.5303 39.5447 174.8848 3010 L 4.7792 9.1232 126.2816 53.1097 46.4222 175.5745 3011 V 4.6973 8.2021 120.9202 61.2449 34.6366 175.0431 3012 G 3.9058 7.6439 114.2774 46.0602 0.0000 170.9306 3013 N 5.4597 7.3576 115.5014 50.9807 41.5275 174.4111 3014 L 4.7339 8.1117 121.9150 54.9387 42.4964 177.8879 3015 G 4.1463 9.5305 112.6670 48.1501 0.0000 173.8280 3016 Q 4.6321 7.7998 118.5480 53.5851 32.7592 175.1740 3017 D 4.5645 8.5251 118.1945 52.5242 40.2654 174.4343 3018 P 4.2850 0.0000 0.0000 64.7848 31.8131 177.4102 3019 E 4.4730 8.8420 124.4445 55.1827 29.2127 170.1040 3020 V 4.6515 8.1539 124.2096 59.5843 32.7461 175.7641 3021 R 5.0591 8.1551 123.5104 54.3880 32.1785 174.0605 3022 Y 4.5357 8.3485 112.9529 56.8768 42.2829 175.2633 *3028 A 3.9181 8.2391 123.8590 50.8731 19.6625 177.9913 3029 V 4.0754 6.6976 119.9337 61.7846 35.1939 172.5139 3030 A 4.7976 8.4063 130.6245 50.1224 21.9565 174.5990 3031 N 5.2743 8.5073 119.4035 51.3214 41.2120 173.9432 3032 I 4.8750 9.1497 120.0314 59.8636 41.2794 175.0141 3033 T 5.7291 8.5024 118.5635 59.2196 71.8380 171.6404 3034 L 5.1797 8.6854 125.7106 52.0781 45.5424 174.8995 3035 A 4.4548 8.4523 120.4598 50.3582 22.7596 175.6758 3036 T 4.5231 8.1820 111.0843 60.3332 71.6601 173.8329 3037 S 5.0094 8.6002 122.4381 57.8056 64.7660 173.2482 3038 E 4.8137 8.2678 120.2796 55.3243 32.6545 174.3727 3039 S 4.8768 8.6749 119.8138 56.6796 65.6343 173.2028 3040 W 4.8763 8.0001 119.0165 57.3085 32.8261 173.3775 *3050 E 3.8759 7.9818 121.1764 56.8621 29.5236 174.9713 3051 Q 5.1033 7.7873 117.3249 55.1882 30.3696 169.1320 3052 T 4.6484 8.3398 120.7955 61.5887 70.8225 174.1751 3053 E 4.7322 8.5309 123.5680 54.3092 33.3799 174.1032 3054 W 5.1723 8.9077 125.7249 55.3934 31.2940 174.8065 3055 H 4.9079 9.0403 124.2370 54.8799 31.1433 175.1087 3056 R 4.8379 8.6306 123.0956 55.6891 30.1335 173.4761 3057 V 4.8116 8.8856 126.6218 60.6385 34.2483 174.9848 3058 V 4.7753 8.5653 125.7684 60.0521 34.2657 174.3821 3059 L 4.9945 8.6374 125.3505 53.0870 44.8559 175.6100 3060 F 4.8274 8.4636 119.3292 55.7191 43.4815 177.1836 3061 G 3.9639 9.0482 108.0598 45.7196 0.0000 177.6068 3062 K 3.9475 8.7795 131.8985 59.9658 31.2360 176.8787 3063 L 4.1724 8.0330 119.2075 57.5211 41.6460 179.1362 3064 A 3.9820 8.5023 123.4117 56.1354 18.2378 180.2330 3065 E 3.9187 8.0321 116.1092 61.0928 29.8043 181.1845 3066 V 3.9643 7.9674 119.2338 65.8929 31.5385 177.7073 3067 A 4.0861 8.4675 123.2382 56.1998 17.9870 180.1215 3068 S 4.0590 7.9761 117.8766 64.4166 62.3390 178.7409 3069 E 4.2646 8.1629 120.3124 59.4840 29.7129 178.6945 3070 Y 4.7256 8.4997 113.1825 57.7611 40.3121 175.6156 3071 L 4.3866 8.8353 123.9410 54.2500 42.5975 176.8831 3072 R 4.6603 8.4172 124.1371 54.6249 32.2149 173.3394 3073 K 4.1167 7.7107 113.7970 58.9653 32.7202 177.5060 3074 G 3.9118 8.3790 110.8168 49.0082 0.0000 173.5807 3075 S 3.9093 7.5435 114.3846 55.7335 63.5741 173.4561 3076 Q 5.1826 8.8583 126.1874 54.6001 31.1120 174.4654 3077 V 5.0292 8.8447 124.6812 60.4784 35.9653 172.8796 3078 Y 5.0715 8.9825 123.0429 56.0816 40.8328 174.4695 3079 I 4.7479 9.1958 126.1065 59.4079 41.7936 174.4188 3080 E 4.6690 8.9535 126.2558 55.2287 32.4586 173.3503 3081 G 4.3407 8.5782 117.3718 45.4290 0.0000 170.1468 3082 Q 5.2179 8.7051 117.9778 54.1632 32.3489 174.9799 3083 L 4.8331 9.2392 120.8127 54.5258 42.9937 176.7279 3084 R 4.6160 9.0984 122.9719 55.2259 33.7885 173.4682 3085 T 5.1927 8.7580 123.2125 61.8634 70.5301 173.8064 3086 R 4.7332 9.2876 126.2796 54.8688 32.3804 175.7256 3087 K 4.8435 8.6985 126.1324 53.6901 32.8404 173.8910 3088 W 5.1621 9.2116 122.3381 54.0641 32.0010 174.3745 3089 T 4.6813 8.5426 117.1241 62.2081 70.0503 174.0898 3090 D 4.9515 7.8367 126.3547 52.2952 42.2893 176.2617 3091 Q 4.0468 8.6118 116.9751 58.7136 28.1273 174.7664 3092 S 4.2148 8.0965 112.4128 60.5619 63.6937 173.9190 *3095 D 4.3081 7.6186 120.3867 53.4387 41.9805 174.6341 3096 R 4.7280 8.0223 118.9835 54.9605 35.0741 173.6601 3097 Y 5.3543 8.7120 117.7889 56.7742 42.0643 175.0427 3098 T 4.7009 9.1674 119.5466 62.3290 72.1971 172.8866 3099 T 5.0853 8.7030 123.4277 62.3461 70.2367 174.0982 3100 E 4.8192 9.5122 124.3107 54.9168 35.2468 174.5512 3101 V 4.5221 8.7211 121.6159 61.9433 32.9340 174.8961 3102 V 4.7631 8.7504 123.2179 60.0535 33.3369 176.1658 3103 V 4.5077 8.5334 129.6459 61.2557 29.9115 177.0223 3104 N 4.9614 8.3475 127.6254 51.6168 37.8327 177.9938 3105 V 3.0224 8.6560 110.4717 66.0205 31.0061 176.0591 3106 G 4.2545 8.8606 104.8233 46.3168 0.0000 174.5163 3107 G 3.9856 7.3144 110.7819 46.0330 0.0000 173.5911 3108 T 4.2401 7.5740 113.0381 62.1470 71.4429 172.1817 3109 M 5.5429 8.5767 125.6520 54.2346 35.7646 173.9842 3110 Q 4.7339 8.8087 122.6272 56.0148 32.4914 173.7384 3111 M 4.7464 8.6408 121.3636 54.9156 32.5934 176.7406 3112 L 4.3977 8.7127 122.6882 54.1184 41.7366 176.4815 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 3001 A 8.36 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3002 S 7.88 4.55 0.00 3.72 3.03 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 3003 R 9.93 3.44 0.00 1.89 1.85 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 3004 G 8.44 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 3005 V 8.09 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 3006 N 8.69 4.81 0.00 2.69 2.70 0.00 0.00 6.93 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3007 K 8.29 4.92 0.00 1.75 1.61 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.44 7.81 3008 V 8.81 4.55 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 0.68 0.00 0.00 0.89 0.00 0.00 3009 I 8.38 4.83 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 1.01 0.00 0.00 3010 L 9.12 4.78 0.00 1.25 1.32 0.77 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 3011 V 8.20 4.70 2.11 0.00 0.00 0.00 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 1.12 0.00 0.00 3012 G 7.64 3.91 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 0.00 0.00 0.00 3013 N 7.36 5.46 0.00 2.70 2.67 0.00 0.00 7.47 8.07 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 3014 L 8.11 4.73 0.00 1.92 1.84 0.99 1.43 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 3015 G 9.53 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 0.00 0.00 0.00 0.00 3016 Q 7.80 4.63 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 3017 D 8.53 4.56 0.00 2.69 2.47 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 3018 P 0.00 4.29 0.00 2.03 2.09 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 3019 E 8.84 4.47 0.00 1.72 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 2.20 2.12 0.00 3020 V 8.15 4.65 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 0.98 0.00 0.00 0.73 0.00 0.00 3021 R 8.16 5.06 0.00 1.98 2.03 0.00 2.97 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 3022 Y 8.35 4.54 0.00 2.85 2.88 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 0.00 0.00 0.00 *3028 A 8.24 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3029 V 6.70 4.08 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 0.40 0.00 0.00 0.81 0.00 0.00 3030 A 8.41 4.80 1.13 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 0.00 0.00 3031 N 8.51 5.27 0.00 2.54 2.65 0.00 0.00 6.26 8.43 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 3032 I 9.15 4.87 1.89 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 1.12 1.33 0.90 0.00 0.00 3033 T 8.50 5.73 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 3034 L 8.69 5.18 0.00 1.56 1.64 0.86 1.00 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 3035 A 8.45 4.45 0.15 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 3036 T 8.18 4.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 3037 S 8.60 5.01 0.00 3.75 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 3038 E 8.27 4.81 0.00 2.01 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 2.38 2.32 0.00 3039 S 8.67 4.88 0.00 3.83 3.69 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 3040 W 8.00 4.88 0.00 3.60 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3050 E 7.98 3.88 0.00 1.93 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 2.21 2.31 0.00 3051 Q 7.79 5.10 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.65 0.00 0.00 0.00 0.00 0.00 2.11 1.72 0.00 3052 T 8.34 4.65 4.30 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 0.93 0.00 0.00 3053 E 8.53 4.73 0.00 2.04 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 2.16 2.09 0.00 3054 W 8.91 5.17 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3055 H 9.04 4.91 0.00 3.19 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3056 R 8.63 4.84 0.00 1.49 1.85 0.00 3.23 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 3057 V 8.89 4.81 2.19 0.00 0.00 0.00 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 0.93 0.00 0.00 3058 V 8.57 4.78 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 0.75 0.00 0.00 0.74 0.00 0.00 3059 L 8.64 4.99 0.00 1.49 1.56 0.91 1.12 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 3060 F 8.46 4.83 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3061 G 9.05 3.96 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 0.00 0.00 0.00 3062 K 8.78 3.95 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.15 7.81 3063 L 8.03 4.17 0.00 1.85 1.77 0.96 0.98 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 3064 A 8.50 3.98 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 3065 E 8.03 3.92 0.00 2.03 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 2.24 2.19 0.00 3066 V 7.97 3.96 2.25 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 0.81 0.00 0.00 1.01 0.00 0.00 3067 A 8.47 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3068 S 7.98 4.06 0.00 3.74 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 3069 E 8.16 4.26 0.00 2.07 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 2.24 2.21 0.00 3070 Y 8.50 4.73 0.00 2.87 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 3071 L 8.84 4.39 0.00 1.77 1.64 0.98 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 3072 R 8.42 4.66 0.00 1.69 1.76 0.00 3.30 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 3073 K 7.71 4.12 0.00 1.78 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3074 G 8.38 3.91 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 0.00 0.00 0.00 3075 S 7.54 3.91 0.00 3.94 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 3076 Q 8.86 5.18 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 3077 V 8.84 5.03 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 0.62 0.00 0.00 1.08 0.00 0.00 3078 Y 8.98 5.07 0.00 3.11 2.88 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 0.00 0.00 0.00 3079 I 9.20 4.75 1.65 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 1.02 0.78 0.79 0.00 0.00 3080 E 8.95 4.67 0.00 1.90 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 2.21 2.27 0.00 3081 G 8.58 4.34 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 0.00 3082 Q 8.71 5.22 0.00 2.10 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 3083 L 9.24 4.83 0.00 1.51 1.65 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 3084 R 9.10 4.62 0.00 1.85 1.75 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 3085 T 8.76 5.19 4.34 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 1.40 0.00 0.00 3086 R 9.29 4.73 0.00 1.83 2.04 0.00 2.73 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 3087 K 8.70 4.84 0.00 1.56 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 0.99 7.81 3088 W 9.21 5.16 0.00 3.47 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 3089 T 8.54 4.68 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 1.12 0.00 0.00 3090 D 7.84 4.95 0.00 2.56 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 0.00 0.00 0.00 3091 Q 8.61 4.05 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.08 0.00 0.00 0.00 0.00 0.00 2.29 1.98 0.00 3092 S 8.10 4.21 0.00 3.95 3.97 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 0.00 0.00 0.00 *3095 D 7.62 4.31 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3096 R 8.02 4.73 0.00 0.67 1.43 0.00 3.09 0.00 0.00 2.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.00 3097 Y 8.71 5.35 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3098 T 9.17 4.70 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 1.18 0.00 0.00 3099 T 8.70 5.09 4.30 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 1.25 0.00 0.00 3100 E 9.51 4.82 0.00 1.83 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 2.21 2.25 0.00 3101 V 8.72 4.52 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 0.99 0.00 0.00 0.95 0.00 0.00 3102 V 8.75 4.76 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 0.70 0.00 0.00 0.95 0.00 0.00 3103 V 8.53 4.51 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 0.75 0.00 0.00 0.93 0.00 0.00 3104 N 8.35 4.96 0.00 2.77 1.84 0.00 0.00 6.83 7.67 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 3105 V 8.66 3.02 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 0.69 0.00 0.00 0.93 0.00 0.00 3106 G 8.86 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 0.00 0.00 0.00 0.00 3107 G 7.31 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 3108 T 7.57 4.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 3109 M 8.58 5.54 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 3110 Q 8.81 4.73 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 3111 M 8.64 4.75 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.14 0.00 3112 L 8.71 4.40 0.00 1.61 1.65 1.06 0.86 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 * Residues marked with a * may have inaccurate shift predictions.