NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9379 8.3393 109.7348 45.2607 0.0000 174.3014 2 T 3.8436 8.0957 117.1573 60.5243 70.9290 173.3965 3 K 4.1159 9.2657 123.9515 58.9098 32.6643 180.4474 4 Q 3.9559 7.9278 118.3316 58.8570 28.7733 178.1503 5 E 3.1922 8.0251 121.9826 59.6751 29.3540 180.1388 6 K 3.8790 7.3258 122.1274 60.2508 31.7786 181.0201 7 T 3.9932 7.9932 116.7276 65.8148 68.3551 175.9907 8 A 4.3430 7.4095 121.7611 53.6072 19.3262 179.1471 9 L 4.1165 7.7540 118.9466 58.3772 42.1967 178.6326 10 N 4.2896 8.3987 116.7609 56.9040 38.6850 177.0871 11 M 4.0834 8.1314 119.0168 58.4558 32.2879 178.0538 12 A 4.1320 8.0622 120.6818 54.7034 18.1362 179.3175 13 R 2.9096 8.2687 117.6708 59.8907 30.1859 178.3500 14 H 3.8590 8.2616 117.7023 59.0880 29.6660 177.3144 15 I 3.8103 7.7093 121.6302 63.9531 36.0399 177.9674 16 R 3.8830 7.9163 119.6262 59.1301 29.5842 178.5734 17 S 4.1978 7.2910 114.2940 61.1670 63.2749 176.2921 18 Q 3.9302 7.8625 120.8769 59.3705 28.3424 179.4055 19 T 3.3898 7.7531 110.6063 64.2003 68.7573 176.5986 20 L 3.7370 7.2064 120.2906 58.2424 42.1914 178.5496 21 T 3.9763 7.9346 115.8666 66.9010 68.4513 176.1909 22 L 3.9072 8.7028 122.9775 57.8636 42.1202 178.8793 23 L 3.8547 7.7035 120.0031 58.1397 42.1336 178.3259 24 E 3.9258 8.5631 118.9034 59.8690 29.6435 179.9109 25 K 4.0033 8.2728 117.9529 59.2708 32.1884 179.0642 26 L 4.2207 7.8920 118.6253 56.5980 41.5726 179.0953 27 N 4.2738 8.0464 116.7200 56.2874 38.3726 176.5781 28 E 3.8267 7.7393 119.7302 59.5137 29.6045 178.0090 29 L 4.2366 7.6662 114.2766 54.7454 41.8122 176.3322 30 D 4.3334 8.3458 117.7118 54.8181 39.2187 175.1837 31 A 4.4601 7.6245 122.4557 51.1735 17.7567 176.7523 32 D 4.5707 8.0761 123.0129 54.8634 40.7790 177.9192 33 E 3.9368 8.1527 120.5830 59.6845 29.4026 178.5969 34 Q 4.0588 8.0967 116.8781 59.2069 28.9640 178.2426 35 A 4.0543 8.1093 121.9903 54.5885 17.9622 179.6992 36 D 4.3394 8.0697 115.9428 57.2068 41.0975 179.8226 37 I 3.6972 7.8048 120.4469 64.6748 37.1302 177.8743 38 C 4.2508 8.3365 119.0505 61.4066 31.2978 175.3123 39 E 3.8895 7.8364 120.9421 60.0046 29.2223 178.0153 40 S 3.9296 8.3857 114.0742 61.6294 62.8612 176.4389 41 L 3.8235 8.1480 122.2083 58.6290 42.2121 179.0082 42 H 4.3799 8.4955 119.6226 59.0263 29.8670 176.9791 43 D 4.3153 8.3230 120.7323 57.6773 40.6231 178.4999 44 H 4.4170 8.5927 116.6139 58.1515 28.5612 177.1457 45 A 4.4574 7.8152 121.6962 53.8688 18.5862 178.7951 46 D 4.4537 8.1439 117.0365 56.8127 41.3745 177.7195 47 E 3.9215 8.1180 120.0396 59.2797 29.5964 178.7055 48 L 3.8905 8.4211 120.2924 58.4701 42.2695 177.9372 49 Y 4.3924 7.8080 119.4364 61.1757 38.5088 178.3241 50 R 3.6803 8.1190 117.8762 58.0209 29.9125 178.7350 51 S 3.9903 7.8305 113.5886 61.4233 62.3314 175.9910 52 C 3.7625 8.1204 119.4384 62.5357 27.7307 175.6806 53 L 3.9292 7.4211 119.3130 58.6906 41.3028 178.7504 54 A 3.9613 7.7171 120.0484 52.9230 18.0903 178.4057 55 R 3.7143 6.9634 119.1312 58.3202 30.9950 176.9693 56 F 4.7632 7.5846 119.7958 57.6741 39.0149 175.4376 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 G 8.34 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 2 T 8.10 3.84 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 1.20 0.00 0.00 3 K 9.27 4.12 0.00 1.81 1.80 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 4 Q 7.93 3.96 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 5 E 8.03 3.19 0.00 1.88 1.12 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 1.64 2.09 0.00 6 K 7.33 3.88 0.00 1.82 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 7.99 3.99 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 1.19 0.00 0.00 8 A 7.41 4.34 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 4.12 0.00 2.03 1.88 1.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.40 4.29 0.00 2.98 2.86 0.00 0.00 6.70 8.50 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 11 M 8.13 4.08 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 12 A 8.06 4.13 1.60 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 0.00 0.00 13 R 8.27 2.91 0.00 1.85 2.08 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 14 H 8.26 3.86 0.00 3.38 3.27 0.00 5.83 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 15 I 7.71 3.81 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.92 0.00 0.00 16 R 7.92 3.88 0.00 2.00 2.08 0.00 2.77 0.00 0.00 2.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 17 S 7.29 4.20 0.00 3.75 3.77 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 18 Q 7.86 3.93 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 19 T 7.75 3.39 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 1.24 0.00 0.00 20 L 7.21 3.74 0.00 1.63 1.80 0.75 0.70 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 21 T 7.93 3.98 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 1.19 0.00 0.00 22 L 8.70 3.91 0.00 1.81 1.66 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.70 3.85 0.00 1.91 1.74 0.90 0.74 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 24 E 8.56 3.93 0.00 2.25 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 0.00 2.32 2.35 0.00 25 K 8.27 4.00 0.00 1.91 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 26 L 7.89 4.22 0.00 1.87 1.70 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.05 4.27 0.00 2.94 2.84 0.00 0.00 6.40 7.09 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 28 E 7.74 3.83 0.00 1.93 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 0.00 2.33 2.32 0.00 29 L 7.67 4.24 0.00 1.71 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.35 4.33 0.00 2.70 2.68 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 31 A 7.62 4.46 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 32 D 8.08 4.57 0.00 2.87 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 33 E 8.15 3.94 0.00 2.05 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 2.38 2.41 0.00 34 Q 8.10 4.06 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 35 A 8.11 4.05 1.38 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 0.00 0.00 36 D 8.07 4.34 0.00 3.11 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 37 I 7.80 3.70 2.01 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 1.41 0.67 0.91 0.00 0.00 38 C 8.34 4.25 0.00 3.13 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 39 E 7.84 3.89 0.00 2.08 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 0.00 2.31 2.35 0.00 40 S 8.39 3.93 0.00 4.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.15 3.82 0.00 1.92 1.75 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.50 4.38 0.00 3.26 3.51 0.00 5.88 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 43 D 8.32 4.32 0.00 2.86 2.67 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 0.00 0.00 0.00 0.00 44 H 8.59 4.42 0.00 3.17 3.32 0.00 5.62 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 45 A 7.82 4.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.45 0.00 2.77 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 47 E 8.12 3.92 0.00 2.13 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 0.00 2.31 2.33 0.00 48 L 8.42 3.89 0.00 1.78 1.78 0.96 0.86 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 49 Y 7.81 4.39 0.00 3.28 3.24 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 50 R 8.12 3.68 0.00 2.01 1.83 0.00 3.62 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.00 51 S 7.83 3.99 0.00 4.04 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 52 C 8.12 3.76 0.00 3.28 3.26 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 53 L 7.42 3.93 0.00 1.50 1.56 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.72 3.96 1.17 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 55 R 6.96 3.71 0.00 1.30 1.29 0.00 2.65 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 56 F 7.58 4.76 0.00 3.24 2.79 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