NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3009 K 4.2659 8.3149 121.7905 55.8739 33.3981 175.0511 3010 K 4.0939 8.2596 122.1198 53.2133 32.9761 174.7668 3011 P 4.8217 0.0000 0.0000 63.3010 33.8276 174.3973 3012 K 4.9186 9.1768 118.2391 56.1343 36.2480 174.6154 3013 L 5.0169 8.6641 121.0001 53.6023 44.3255 176.0056 3014 L 5.1431 8.5912 121.3002 53.4434 43.9641 174.6902 3015 Y 4.9442 9.1861 127.0138 56.4995 40.4917 173.7308 3016 C 4.7336 9.0371 128.8068 57.2436 32.3027 174.5332 3017 S 4.0251 8.5065 121.0918 60.1560 63.2089 174.7236 3018 N 4.1332 7.9031 119.7098 56.3143 38.4721 175.3405 3019 G 3.8701 7.6984 102.9576 44.4574 0.0000 172.2172 3020 G 3.1346 7.6499 106.7259 44.6170 0.0000 173.2571 3021 H 4.8856 6.9617 114.1205 53.5411 33.4256 174.4199 3022 F 5.1577 8.8546 120.6921 56.3667 40.3468 175.1664 3023 L 4.5771 9.5626 126.6153 55.3999 43.2685 175.5458 3024 R 4.9311 9.3653 126.5535 54.6898 33.3346 174.0571 3025 I 4.8432 8.2767 127.5083 59.2954 38.1360 175.6562 3026 L 4.0850 8.8035 127.9650 53.4639 42.1558 177.2195 3027 P 4.5745 0.0000 0.0000 64.9049 31.3041 176.9229 3028 D 4.4870 7.9756 116.7253 53.8276 39.8921 176.9883 3029 G 4.0906 8.4099 109.7642 45.5495 0.0000 173.7459 3030 T 4.3241 8.3234 117.9807 63.2292 69.0191 173.5623 3031 V 4.8528 8.2431 125.6096 61.0908 34.3408 174.1857 3032 D 4.5404 8.6535 126.6760 52.9205 42.8172 174.0832 3033 G 4.5885 8.5658 104.6882 45.4887 0.0000 171.9205 3034 T 4.9910 8.7374 113.8756 60.8369 71.2184 174.4686 3035 R 4.3714 8.7842 122.6156 56.2126 31.1096 176.4527 3036 D 4.6647 8.3638 119.3999 53.1125 40.0873 176.8715 3037 R 3.6936 8.6060 126.6609 58.2208 30.1986 177.9573 3038 S 4.4575 8.4266 111.5674 57.9932 63.6321 174.0305 3039 D 4.4162 7.8863 122.3019 54.7461 41.2678 176.0667 3040 Q 4.2209 8.5621 123.9211 57.4709 29.2927 176.0969 3041 H 4.8974 9.2372 116.0780 55.4241 29.1047 175.2073 3042 I 4.6642 7.1075 111.8024 60.2350 39.1790 175.5956 3043 Q 4.2185 7.9572 123.5131 55.6827 29.7065 174.7893 3044 L 5.1426 9.0997 124.7421 52.7906 45.5698 175.3443 3045 Q 4.7429 9.3123 124.7504 54.4794 30.9857 173.9628 3046 L 5.3213 8.5524 126.9112 53.1941 43.6574 176.1208 3047 S 4.7894 8.8320 117.3457 56.4224 66.2537 173.2017 3048 A 5.3736 8.6924 126.6121 50.3045 18.4744 176.5350 3049 E 4.1646 8.7889 124.4208 59.4973 30.2079 176.5998 3050 S 4.6972 7.5241 112.4524 56.2132 67.2929 173.0598 3051 V 3.7544 8.2552 121.5151 64.4305 31.5590 176.4250 3052 G 3.9453 9.0103 113.7889 45.7125 0.0000 172.0282 3053 E 5.1023 8.1064 120.1552 54.5665 32.1711 175.6199 3054 V 5.0990 9.1515 117.6059 59.7986 36.4627 174.0718 3055 Y 5.2049 8.9305 120.4125 56.6052 40.7069 175.0222 3056 I 4.4506 8.6662 123.9032 59.5528 39.7462 174.2168 3057 K 4.7444 8.6303 128.7512 53.9089 35.5232 175.2019 3058 S 4.6088 8.6939 122.8149 58.7266 62.6403 174.9898 3059 T 3.8512 8.6540 118.2532 64.3664 68.7942 175.9061 3060 E 4.0586 8.3327 122.8068 58.6374 29.8839 177.0177 3061 T 4.2946 7.8998 105.6104 60.6761 69.8918 175.5683 3062 G 3.8224 8.2180 110.0529 45.5642 0.0000 173.8142 3063 Q 4.4602 7.6814 119.2723 55.9680 30.2998 174.6047 3064 Y 4.8088 9.3538 121.1071 56.2696 40.0617 175.1320 3065 L 4.3817 9.1144 126.3684 55.5424 43.5455 175.5163 3066 A 4.9535 8.5716 125.4184 51.1619 23.3274 174.5867 3067 M 5.4747 8.5224 118.7139 54.0052 35.1086 175.3798 3068 D 5.1581 9.5784 126.8795 52.2767 41.2245 177.0564 3069 T 4.0472 8.6085 108.6191 64.6037 68.4127 174.4144 3070 D 4.6676 8.8710 120.8122 53.9250 41.1262 177.1504 3071 G 3.3373 8.7091 108.3680 45.2571 0.0000 172.8785 3072 L 4.7206 7.7791 119.9254 53.5502 43.1207 176.2787 3073 L 5.0325 8.6280 123.8747 55.2408 42.7945 175.5526 3074 Y 4.9374 9.0708 119.5583 56.3370 42.0357 173.4317 3075 G 4.2855 9.1363 108.6240 44.9219 0.0000 173.1894 3076 S 5.0231 9.1800 122.3126 57.1462 63.4802 175.2120 3077 Q 4.0865 9.0998 125.8845 57.8414 29.0448 176.1319 3078 T 4.7351 7.4248 106.4712 58.5836 71.8132 172.0370 3079 P 3.6310 0.0000 0.0000 62.7157 31.9617 175.0118 3080 N 4.7748 8.0986 116.8556 51.7934 40.1758 174.7351 3081 E 3.8565 8.7510 115.4169 59.4390 29.6936 178.2917 3082 E 4.1966 8.1690 116.8706 57.3510 29.7865 177.1872 3083 C 4.9517 7.9339 115.7386 59.0977 29.2115 173.5018 3084 L 4.5206 7.0963 120.2331 53.6624 42.9981 175.8431 3085 F 5.2122 8.8881 120.9136 55.6491 43.7461 174.0157 3086 L 4.8608 9.3346 123.1967 54.0276 42.6826 175.4834 3087 E 4.5324 9.0810 126.9325 55.3496 30.5399 175.6344 3088 R 4.7056 8.5051 126.1038 54.1994 33.3147 175.0631 3089 L 4.8753 8.5545 123.8914 54.0756 42.5601 175.7626 3090 E 4.9156 8.8771 125.0608 53.9302 33.0680 175.0746 3091 E 4.1399 8.7751 118.8778 57.5818 30.0228 176.6358 3092 N 4.6370 9.4666 116.3775 55.0962 36.1203 174.9216 3093 H 4.0800 8.5144 110.9496 56.5783 26.9910 174.9061 3094 Y 4.5108 7.8000 117.3877 57.8696 39.2074 174.2804 3095 N 5.6927 9.9774 119.4245 51.7373 43.1805 173.4720 3096 T 5.1392 8.5708 110.1698 60.2773 72.6126 172.6621 3097 Y 5.1672 8.8146 119.7662 56.6528 41.5927 174.1726 3098 I 4.7924 8.6030 126.0253 59.3424 39.7818 175.5060 3099 S 3.9107 9.0455 122.1186 58.5929 62.8206 175.0628 3100 K 3.9445 8.7526 129.2486 59.2875 32.2921 178.8204 3101 K 3.8367 7.8465 118.5360 58.8869 32.4050 176.6772 3102 H 4.8492 8.2241 114.8419 54.1854 29.5751 176.1637 3103 A 4.0202 7.8722 124.9398 54.5787 17.9717 180.5684 3104 E 4.0127 7.9949 112.6748 58.1547 29.8138 178.0614 3105 K 4.1391 7.4820 117.7292 55.4908 32.8494 175.6916 3106 N 3.8670 7.6374 115.3968 53.9061 36.3914 174.8643 3107 W 5.0150 7.9283 118.4677 56.4106 30.2206 176.8024 3108 F 5.3809 9.0323 124.2329 56.1281 40.5234 176.0181 3109 V 4.0798 9.0816 121.7422 63.0175 32.5341 175.2406 3110 G 4.4477 8.5273 112.4372 45.7516 0.0000 171.6823 3111 L 5.4130 8.5496 120.1241 52.5208 46.0905 177.1439 3112 K 4.2760 9.1014 122.2310 55.5027 32.9511 178.5306 3113 K 3.9795 8.4084 119.2566 59.2587 31.9458 177.9807 3114 N 4.5782 8.0843 114.1045 52.6987 37.7529 175.9578 3115 G 3.5476 8.2431 109.1812 45.2693 0.0000 174.0411 3116 S 4.6936 8.2282 114.9647 57.0037 64.4219 172.9346 3117 C 4.6101 8.3885 121.6329 59.4954 32.1176 172.4968 3118 K 4.4556 8.7037 127.9481 54.5201 32.9772 176.0264 3119 R 3.9279 8.7422 126.7827 56.7209 30.9092 177.8602 3120 G 3.4929 8.8311 113.0425 48.1616 0.0000 173.9971 3121 P 4.3198 0.0000 0.0000 64.5339 31.3675 176.9697 3122 R 4.3667 7.7158 116.7390 56.2565 30.5522 176.4693 3123 T 5.0213 7.3085 108.0319 60.7708 70.3781 173.5764 3124 H 4.7303 8.3195 117.8348 55.2016 32.5697 172.5609 3125 Y 3.8213 8.5767 127.1328 59.3108 39.0388 175.4985 3126 G 3.8761 7.6563 113.3863 45.8019 0.0000 174.3517 3127 Q 4.0981 7.5976 118.2812 55.4530 29.4288 177.2718 3128 K 3.7353 8.2957 119.1796 58.3006 32.8096 179.3220 3129 A 4.0192 8.0796 121.4600 53.7443 18.3956 178.4983 3130 I 4.6271 6.7420 106.0392 60.1971 38.5415 175.4470 3131 L 4.6092 7.1857 123.0277 54.1001 42.7359 175.5854 3132 F 5.3365 9.6430 123.4550 55.5557 42.5061 174.0939 3133 L 4.5416 9.3982 126.2264 52.8611 43.4505 173.5544 3134 P 4.9721 0.0000 0.0000 62.3881 32.4529 176.0108 3135 L 4.6356 8.9538 124.8547 51.9340 43.9702 174.0027 3136 P 4.6636 0.0000 0.0000 63.2492 31.7647 176.7430 3137 V 3.8626 8.4894 126.4254 62.7665 32.9878 176.8364 *3138 S 4.2803 8.3897 119.2147 58.3680 62.8860 174.6523 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 3009 K 8.31 4.27 0.00 1.75 1.98 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3010 K 8.26 4.09 0.00 1.87 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3011 P 0.00 4.82 0.00 2.07 2.16 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 3012 K 9.18 4.92 0.00 1.81 1.90 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.42 7.81 3013 L 8.66 5.02 0.00 1.72 1.67 0.30 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3014 L 8.59 5.14 0.00 1.63 1.72 0.91 0.23 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 3015 Y 9.19 4.94 0.00 3.24 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 3016 C 9.04 4.73 0.00 2.52 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 3017 S 8.51 4.03 0.00 3.91 4.01 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 0.00 0.00 0.00 3018 N 7.90 4.13 0.00 2.61 2.74 0.00 0.00 6.77 7.98 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 3019 G 7.70 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 3020 G 7.65 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 0.00 0.00 0.00 3021 H 6.96 4.89 0.00 3.00 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3022 F 8.85 5.16 0.00 3.09 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 3023 L 9.56 4.58 0.00 1.80 1.54 0.97 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 3024 R 9.37 4.93 0.00 1.93 2.06 0.00 3.35 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 3025 I 8.28 4.84 1.85 0.00 0.00 0.78 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 0.73 0.91 0.00 0.00 3026 L 8.80 4.09 0.00 1.90 1.52 0.92 0.86 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 3027 P 0.00 4.57 0.00 2.17 2.19 0.00 3.15 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 1.94 1.88 0.00 3028 D 7.98 4.49 0.00 2.82 2.82 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 3029 G 8.41 4.09 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 0.00 0.00 0.00 3030 T 8.32 4.32 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 1.23 0.00 0.00 3031 V 8.24 4.85 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 0.85 0.00 0.00 0.95 0.00 0.00 3032 D 8.65 4.54 0.00 2.88 2.71 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 3033 G 8.57 4.59 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 0.00 0.00 0.00 3034 T 8.74 4.99 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 1.39 0.00 0.00 3035 R 8.78 4.37 0.00 1.90 2.01 0.00 3.38 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 3036 D 8.36 4.66 0.00 2.82 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 3037 R 8.61 3.69 0.00 1.83 1.87 0.00 3.42 0.00 0.00 3.54 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 3038 S 8.43 4.46 0.00 3.93 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 3039 D 7.89 4.42 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 3040 Q 8.56 4.22 0.00 1.77 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.18 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 3041 H 9.24 4.90 0.00 3.26 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3042 I 7.11 4.66 1.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 1.04 0.00 0.00 3043 Q 7.96 4.22 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 3044 L 9.10 5.14 0.00 1.55 1.42 0.80 0.52 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 3045 Q 9.31 4.74 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 3046 L 8.55 5.32 0.00 1.57 1.63 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 3047 S 8.83 4.79 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3048 A 8.69 5.37 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 3049 E 8.79 4.16 0.00 1.87 1.87 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 2.30 2.43 0.00 3050 S 7.52 4.70 0.00 3.84 3.68 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 0.00 0.00 0.00 0.00 3051 V 8.26 3.75 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 0.94 0.00 0.00 3052 G 9.01 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 3053 E 8.11 5.10 0.00 2.01 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 2.17 2.22 0.00 3054 V 9.15 5.10 2.20 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 0.91 0.00 0.00 1.16 0.00 0.00 3055 Y 8.93 5.20 0.00 3.05 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 3056 I 8.67 4.45 1.68 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.64 0.00 0.00 3057 K 8.63 4.74 0.00 1.16 1.31 0.00 1.30 0.00 0.00 0.94 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.94 0.59 7.81 3058 S 8.69 4.61 0.00 3.88 3.65 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 0.00 0.00 0.00 0.00 3059 T 8.65 3.85 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 1.17 0.00 0.00 3060 E 8.33 4.06 0.00 1.91 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 2.23 2.32 0.00 3061 T 7.90 4.29 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 1.27 0.00 0.00 3062 G 8.22 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 3063 Q 7.68 4.46 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 3064 Y 9.35 4.81 0.00 2.90 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 3065 L 9.11 4.38 0.00 1.57 1.44 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 3066 A 8.57 4.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3067 M 8.52 5.47 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 3068 D 9.58 5.16 0.00 2.96 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 3069 T 8.61 4.05 4.35 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 1.31 0.00 0.00 3070 D 8.87 4.67 0.00 2.75 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 3071 G 8.71 3.34 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 3072 L 7.78 4.72 0.00 2.04 1.65 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 3073 L 8.63 5.03 0.00 1.59 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 3074 Y 9.07 4.94 0.00 3.17 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 3075 G 9.14 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 0.00 0.00 0.00 0.00 3076 S 9.18 5.02 0.00 3.88 3.88 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 3077 Q 9.10 4.09 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 3078 T 7.42 4.74 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 1.23 0.00 0.00 3079 P 0.00 3.63 0.00 1.59 0.49 0.00 3.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 3080 N 8.10 4.77 0.00 2.85 2.93 0.00 0.00 5.95 7.66 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 3081 E 8.75 3.86 0.00 2.11 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 0.00 2.35 2.30 0.00 3082 E 8.17 4.20 0.00 2.16 2.27 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 2.45 2.38 0.00 3083 C 7.93 4.95 0.00 3.31 3.30 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 3084 L 7.10 4.52 0.00 1.46 1.33 0.84 -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 0.00 0.00 0.00 0.00 3085 F 8.89 5.21 0.00 3.04 3.09 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 3086 L 9.33 4.86 0.00 1.58 1.62 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3087 E 9.08 4.53 0.00 2.18 1.92 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 2.21 1.98 0.00 3088 R 8.51 4.71 0.00 1.80 1.83 0.00 3.34 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 3089 L 8.55 4.88 0.00 1.55 1.62 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 3090 E 8.88 4.92 0.00 2.08 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 2.25 2.41 0.00 3091 E 8.78 4.14 0.00 2.11 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 2.39 0.00 3092 N 9.47 4.64 0.00 3.13 3.12 0.00 0.00 7.01 8.16 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 3093 H 8.51 4.08 0.00 3.21 3.42 0.00 5.89 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 3094 Y 7.80 4.51 0.00 3.11 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 3095 N 9.98 5.69 0.00 2.62 2.26 0.00 0.00 6.73 5.12 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 3096 T 8.57 5.14 4.65 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 0.00 0.00 0.00 1.37 0.00 0.00 3097 Y 8.81 5.17 0.00 2.89 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 3098 I 8.60 4.79 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.66 0.81 0.00 0.00 3099 S 9.05 3.91 0.00 4.07 3.92 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 3100 K 8.75 3.94 0.00 1.72 1.62 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.28 7.81 3101 K 7.85 3.84 0.00 1.57 1.57 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.97 1.28 7.81 3102 H 8.22 4.85 0.00 3.16 2.44 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3103 A 7.87 4.02 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 3104 E 7.99 4.01 0.00 2.03 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 0.00 2.19 2.16 0.00 3105 K 7.48 4.14 0.00 0.86 1.26 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.47 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.02 0.87 7.81 3106 N 7.64 3.87 0.00 2.96 2.96 0.00 0.00 6.96 7.29 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 3107 W 7.93 5.02 0.00 3.33 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 3108 F 9.03 5.38 0.00 3.05 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 3109 V 9.08 4.08 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 0.57 0.00 0.00 0.63 0.00 0.00 3110 G 8.53 4.45 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 0.00 3111 L 8.55 5.41 0.00 1.54 1.48 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 3112 K 9.10 4.28 0.00 1.91 1.70 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.50 7.81 3113 K 8.41 3.98 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.37 7.81 3114 N 8.08 4.58 0.00 2.81 2.90 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3115 G 8.24 3.55 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 0.00 0.00 0.00 3116 S 8.23 4.69 0.00 3.99 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 3117 C 8.39 4.61 0.00 3.03 2.89 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 3118 K 8.70 4.46 0.00 1.76 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 3119 R 8.74 3.93 0.00 1.67 1.61 0.00 3.10 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 3120 G 8.83 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 3121 P 0.00 4.32 0.00 2.14 2.15 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 3122 R 7.72 4.37 0.00 1.90 1.99 0.00 3.30 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 3123 T 7.31 5.02 4.45 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 1.46 0.00 0.00 3124 H 8.32 4.73 0.00 3.22 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3125 Y 8.58 3.82 0.00 3.00 2.85 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 3126 G 7.66 3.88 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 0.00 0.00 0.00 3127 Q 7.60 4.10 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 3128 K 8.30 3.74 0.00 1.84 1.62 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.28 7.81 3129 A 8.08 4.02 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 3130 I 6.74 4.63 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.19 0.82 0.00 0.00 3131 L 7.19 4.61 0.00 1.24 1.35 0.52 1.24 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 3132 F 9.64 5.34 0.00 3.25 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 3133 L 9.40 4.54 0.00 0.67 1.54 0.42 0.91 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 3134 P 0.00 4.97 0.00 2.04 2.07 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 3135 L 8.95 4.64 0.00 1.55 1.58 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 3136 P 0.00 4.66 0.00 1.92 2.01 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 2.04 2.12 0.00 3137 V 8.49 3.86 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 0.64 0.00 0.00 0.90 0.00 0.00 *3138 S 8.39 4.28 0.00 3.64 3.66 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 * Residues marked with a * may have inaccurate shift predictions.