NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3001 Y 4.7850 8.1293 121.6782 57.9702 38.6316 174.1715 3002 D 4.3100 8.5814 124.9650 51.9784 40.0728 175.9220 3003 G 3.8834 8.0464 108.3589 45.9788 0.0000 175.2435 3004 T 4.3130 7.9660 108.1340 61.0579 68.9825 174.5666 3005 K 4.3002 7.8756 123.0431 55.4087 32.1413 176.0541 3006 C 5.2650 8.4471 122.7489 54.7445 41.6786 175.4084 3007 K 3.7999 8.3255 123.7093 58.8216 32.8396 176.6121 3008 A 4.5049 7.5122 118.3393 50.2016 22.3731 174.9387 3009 A 4.0261 8.5518 122.2826 54.2230 18.3514 178.2220 3010 G 3.8947 9.1399 110.4384 45.9033 0.0000 173.1921 3011 N 4.8700 8.2324 118.5630 51.6995 39.3230 173.4691 3012 C 5.3813 8.4832 117.5719 54.6375 42.0628 174.4959 3013 W 4.2316 8.2220 130.2694 57.3265 30.9005 174.8648 3014 E 3.8963 6.0474 123.1024 53.0335 32.7985 173.8290 3015 P 3.7477 0.0000 0.0000 62.0688 32.3270 176.5521 3016 K 4.1843 7.9957 119.4237 55.2481 32.8006 174.8263 3017 P 4.4551 0.0000 0.0000 64.4030 31.4681 177.3002 3018 G 3.9207 9.0688 110.6472 45.5143 0.0000 172.8587 3019 F 4.8836 8.0159 117.9734 54.8420 41.1772 173.7988 3020 P 4.7573 0.0000 0.0000 61.7365 32.5972 175.9030 3021 E 4.3115 8.9281 120.5231 58.4126 29.8432 177.3342 3022 K 4.7084 7.9282 116.8686 54.4585 34.9693 176.0359 3023 I 4.1056 8.3282 115.6936 61.9628 38.5060 175.7822 3024 A 4.3202 7.8732 124.7621 53.7146 18.4622 177.7756 3025 G 3.9134 9.3313 111.6262 45.2914 0.0000 173.5233 3026 S 4.6016 7.8151 115.1939 56.3508 64.9309 174.7484 3027 K 4.1006 8.1632 117.6870 58.3138 32.3665 176.9144 3028 Y 4.6617 7.4477 116.7270 57.7304 38.3388 175.2353 3029 D 4.4154 7.8406 121.2463 53.9154 41.4430 174.6354 3030 P 4.2703 0.0000 0.0000 63.4783 32.0981 176.0838 3031 K 3.8020 7.9473 117.6324 57.5116 30.0302 175.2691 3032 H 4.3513 7.8791 113.9180 55.6733 29.8384 175.9487 3033 D 4.5210 8.6004 122.4859 53.3638 41.7695 175.3948 3034 P 4.2989 0.0000 0.0000 65.7077 31.1435 178.7544 3035 K 4.0505 8.2304 116.6291 59.2072 32.2366 178.9431 3036 E 4.1334 8.1039 118.7024 59.2251 29.3288 178.8368 3037 L 3.9967 7.6561 118.0794 57.7783 41.7062 178.6155 3038 N 4.6351 7.9486 114.2841 54.0742 38.8323 177.3580 3039 K 4.0250 7.9110 121.2049 59.3382 32.2592 179.0669 3040 Q 4.0473 8.0430 117.3250 58.9689 28.7611 178.1295 3041 A 4.0438 7.9240 122.4057 54.9709 18.6536 179.1499 3042 D 4.3145 7.8788 117.3309 57.4246 40.8346 178.8524 3043 S 4.2592 8.0284 113.5470 61.4676 62.3254 176.3622 3044 I 3.7891 7.8459 124.6484 64.8820 36.9544 179.1118 3045 K 3.9670 8.0214 124.5675 60.0336 31.4703 181.0632 3046 Q 4.2337 8.0497 118.8123 58.8972 28.5417 178.5800 3047 M 4.0422 8.0653 119.8274 58.5605 32.0355 178.6562 3048 E 4.0008 8.4032 118.7407 59.4023 29.4509 179.3929 3049 E 3.9686 8.1080 118.2116 59.4104 29.6909 179.5383 3050 R 3.8882 7.9644 118.1430 59.3587 30.0305 178.8721 3051 N 4.4581 8.6978 119.1358 56.8608 38.4136 178.2458 3052 K 4.0149 8.0946 125.1852 59.6039 31.6443 181.5419 3053 K 4.1357 7.8577 120.5794 59.2784 32.0734 179.2979 3054 R 3.6787 7.8071 118.0348 59.3370 30.2000 179.2607 3055 V 3.9542 8.2790 120.7028 66.7268 31.4976 178.5655 3056 E 4.0886 8.6010 118.5013 60.8645 29.5676 180.9982 3057 N 4.5120 8.0396 117.2575 56.5483 38.9832 176.6196 3058 F 4.5904 8.3663 124.5868 62.2186 39.3480 177.7939 3059 K 4.1513 8.0050 122.7774 58.9988 31.5768 181.2081 3060 K 4.4175 7.6054 121.7703 60.2232 32.1338 184.0576 3061 T 4.4871 7.9823 109.4687 61.6116 69.4456 176.1162 3062 G 3.9247 8.9829 111.9178 45.3747 0.0000 173.6780 3063 K 4.6879 7.6309 120.8844 52.2515 34.2058 181.2333 3064 F 3.8830 8.7187 127.3281 56.7024 39.8746 173.9521 3065 E 4.4405 7.3530 127.5384 54.3747 31.6585 174.6296 3066 Y 4.0040 8.7149 127.8420 60.1622 39.3926 174.5904 3067 D 4.4085 8.2346 120.2211 53.3655 40.4497 176.5561 3068 V 3.4138 8.1775 127.7543 65.5885 31.6507 177.4992 3069 A 4.1739 8.4495 121.3755 53.6489 18.1923 177.8249 3070 K 4.5056 8.0853 114.1022 55.8225 32.7886 175.7708 3071 I 4.2630 7.1952 120.3804 59.7390 38.4870 176.2866 3072 S 4.2280 8.3550 120.9923 57.3351 61.8255 174.2106 *3073 A 4.1104 8.2821 127.0937 52.2296 18.6149 176.3403 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 Y 8.13 4.79 0.00 2.63 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 3002 D 8.58 4.31 0.00 2.75 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 3003 G 8.05 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 3004 T 7.97 4.31 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 1.23 0.00 0.00 3005 K 7.88 4.30 0.00 1.97 1.81 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 3006 C 8.45 5.26 0.00 2.96 3.01 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 3007 K 8.33 3.80 0.00 1.93 1.96 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.42 7.81 3008 A 7.51 4.50 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 3009 A 8.55 4.03 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 3010 G 9.14 3.89 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 0.00 0.00 0.00 3011 N 8.23 4.87 0.00 2.73 2.70 0.00 0.00 6.98 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 3012 C 8.48 5.38 0.00 3.08 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 3013 W 8.22 4.23 0.00 3.18 3.06 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 3014 E 6.05 3.90 0.00 1.38 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 2.01 2.11 0.00 3015 P 0.00 3.75 0.00 2.23 2.10 0.00 3.27 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 3016 K 8.00 4.18 0.00 1.56 1.74 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.36 7.81 3017 P 0.00 4.46 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 3018 G 9.07 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 0.00 0.00 0.00 3019 F 8.02 4.88 0.00 3.15 2.97 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 3020 P 0.00 4.76 0.00 2.46 2.14 0.00 4.14 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 3021 E 8.93 4.31 0.00 2.00 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 2.38 2.56 0.00 3022 K 7.93 4.71 0.00 1.79 1.70 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.44 7.81 3023 I 8.33 4.11 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 1.05 0.00 0.00 3024 A 7.87 4.32 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 3025 G 9.33 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 3026 S 7.82 4.60 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 3027 K 8.16 4.10 0.00 1.64 1.75 0.00 1.33 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.69 0.54 7.81 3028 Y 7.45 4.66 0.00 3.10 3.02 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 3029 D 7.84 4.42 0.00 2.92 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 3030 P 0.00 4.27 0.00 1.66 2.02 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 3031 K 7.95 3.80 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 3032 H 7.88 4.35 0.00 3.14 3.19 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3033 D 8.60 4.52 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 3035 K 8.23 4.05 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 3036 E 8.10 4.13 0.00 2.10 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 2.40 2.34 0.00 3037 L 7.66 4.00 0.00 1.76 1.72 0.92 0.97 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 3038 N 7.95 4.64 0.00 2.67 2.84 0.00 0.00 6.99 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 3039 K 7.91 4.02 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.63 7.81 3040 Q 8.04 4.05 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 3041 A 7.92 4.04 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 3042 D 7.88 4.31 0.00 2.70 2.72 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 0.00 0.00 0.00 3043 S 8.03 4.26 0.00 3.92 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 3044 I 7.85 3.79 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 1.39 0.42 0.91 0.00 0.00 3045 K 8.02 3.97 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 3046 Q 8.05 4.23 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 3047 M 8.07 4.04 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 3048 E 8.40 4.00 0.00 2.14 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 2.34 2.47 0.00 3049 E 8.11 3.97 0.00 2.17 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 2.32 2.53 0.00 3050 R 7.96 3.89 0.00 1.95 1.87 0.00 3.03 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 3051 N 8.70 4.46 0.00 2.73 2.92 0.00 0.00 7.16 7.86 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 3052 K 8.09 4.01 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 3053 K 7.86 4.14 0.00 1.74 1.95 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 3054 R 7.81 3.68 0.00 2.09 1.74 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 3055 V 8.28 3.95 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 1.09 0.00 0.00 1.13 0.00 0.00 3056 E 8.60 4.09 0.00 2.00 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 2.24 2.18 0.00 3057 N 8.04 4.51 0.00 2.82 2.92 0.00 0.00 6.77 9.05 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 3058 F 8.37 4.59 0.00 3.19 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 3059 K 8.00 4.15 0.00 1.94 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.32 7.81 3060 K 7.61 4.42 0.00 1.84 1.74 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.31 7.81 3061 T 7.98 4.49 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 1.26 0.00 0.00 3062 G 8.98 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 0.00 0.00 0.00 3063 K 7.63 4.69 0.00 1.72 1.57 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.20 7.81 3064 F 8.72 3.88 0.00 1.94 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 3065 E 7.35 4.44 0.00 1.76 1.55 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 2.09 2.19 0.00 3066 Y 8.71 4.00 0.00 3.09 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 3067 D 8.23 4.41 0.00 2.82 2.75 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 0.00 0.00 0.00 3068 V 8.18 3.41 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 0.85 0.00 0.00 0.76 0.00 0.00 3069 A 8.45 4.17 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 3070 K 8.09 4.51 0.00 1.69 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.35 7.81 3071 I 7.20 4.26 1.81 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 1.19 0.44 0.86 0.00 0.00 3072 S 8.35 4.23 0.00 3.84 3.83 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 *3073 A 8.28 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.