NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1864 8.5398 121.1813 55.5979 34.2805 174.9438 3 V 4.2362 7.4873 117.4539 59.5023 33.3132 174.0855 4 C 4.7433 8.6536 121.6705 55.2355 45.3264 174.2728 5 A 4.3141 8.3708 123.6647 52.1838 17.6447 177.6286 6 C 5.0355 8.2819 118.8936 54.8313 44.4977 172.7363 7 P 4.5976 0.0000 0.0000 62.9413 31.6046 175.7262 8 K 4.4399 8.2545 117.1229 56.7962 32.6376 176.9722 9 I 4.0749 7.5984 117.8424 59.9318 39.1257 174.3859 10 L 4.5679 8.2273 127.4705 53.6839 42.9507 176.7766 11 K 4.7122 8.8698 128.8707 53.8582 32.9916 172.6541 12 P 4.8808 0.0000 0.0000 62.8209 33.1919 175.9050 13 V 4.7912 8.6614 121.3591 60.3609 35.2697 173.0767 14 C 4.9856 9.6861 124.2252 55.7634 42.5055 172.6612 15 G 4.7204 9.3396 113.6680 44.5701 0.0000 174.9274 16 S 4.5043 9.1075 118.3440 61.0760 62.9854 175.2863 17 D 4.6542 8.2497 118.3401 52.9255 39.2025 176.7880 18 G 3.9077 8.5075 106.4699 46.5472 0.0000 173.7988 19 R 4.5213 7.7663 117.8788 54.1952 33.3151 174.7949 20 T 4.7944 7.9989 116.9297 61.0618 69.3696 172.9409 21 Y 4.9272 8.7891 126.0466 55.9254 40.6986 176.6540 22 A 4.0079 8.8095 124.8262 55.5712 18.6938 177.1265 23 N 5.7116 7.9154 112.6499 51.8242 41.1149 175.4829 24 S 4.1055 8.5386 115.4110 61.6535 62.9069 176.8940 25 C 4.1921 8.2178 121.5908 59.6390 43.2536 175.4376 26 I 3.5148 7.8257 119.5014 63.5168 36.8969 178.0349 27 A 3.0054 7.4015 122.4863 54.7822 18.3102 179.6263 28 R 3.8384 8.1079 116.3778 59.5935 29.9719 178.4510 29 C 4.2402 8.1061 117.0695 58.6350 41.9368 173.8462 30 N 4.7888 8.2054 117.6523 52.2531 38.4779 174.9114 31 G 4.4531 7.9305 105.1482 46.3547 0.0000 173.9096 32 V 4.3447 6.8921 116.8671 60.7811 33.6452 175.0457 33 S 4.6877 8.1822 120.8827 57.3054 65.1478 173.8198 34 I 4.3932 8.2685 124.0866 60.9873 36.1465 175.6470 35 K 4.2861 9.1254 130.9902 59.3242 32.7165 176.8171 36 S 4.6156 7.7539 111.8587 57.2845 66.4355 173.8374 37 E 4.3140 8.8549 122.3607 58.1537 29.0575 174.8909 38 G 4.1513 8.0532 111.7292 43.0715 0.0000 172.9343 39 S 4.5195 8.2129 115.3447 57.8015 63.3276 175.4878 40 C 4.4118 8.5285 121.7937 56.2920 40.5102 172.1631 41 P 4.4083 0.0000 0.0000 63.0281 31.0364 176.0914 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 2 K 8.54 5.19 0.00 1.73 1.86 0.00 1.53 0.00 0.00 2.37 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 3 V 7.49 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 4 C 8.65 4.74 0.00 2.90 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 5 A 8.37 4.31 1.24 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 6 C 8.28 5.04 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.60 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 8 K 8.25 4.44 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 9 I 7.60 4.07 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 1.31 0.78 0.92 0.00 0.00 10 L 8.23 4.57 0.00 1.61 1.56 0.97 0.51 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 11 K 8.87 4.71 0.00 1.83 1.62 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.43 7.81 12 P 0.00 4.88 0.00 2.11 2.00 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 13 V 8.66 4.79 2.14 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 1.00 0.00 0.00 1.04 0.00 0.00 14 C 9.69 4.99 0.00 3.16 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 15 G 9.34 4.72 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 0.00 0.00 0.00 16 S 9.11 4.50 0.00 3.87 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 17 D 8.25 4.65 0.00 2.82 2.81 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 18 G 8.51 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 19 R 7.77 4.52 0.00 1.63 1.31 0.00 3.22 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 20 T 8.00 4.79 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 1.11 0.00 0.00 21 Y 8.79 4.93 0.00 2.94 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 22 A 8.81 4.01 1.35 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 0.00 0.00 23 N 7.92 5.71 0.00 2.98 2.93 0.00 0.00 6.49 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.54 4.11 0.00 4.06 4.18 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 25 C 8.22 4.19 0.00 3.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.83 3.51 2.04 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 1.46 0.82 0.98 0.00 0.00 27 A 7.40 3.01 1.14 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 0.00 0.00 28 R 8.11 3.84 0.00 1.79 1.95 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 29 C 8.11 4.24 0.00 3.01 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 30 N 8.21 4.79 0.00 2.55 2.68 0.00 0.00 6.83 8.09 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 31 G 7.93 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 32 V 6.89 4.34 1.86 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 1.05 0.00 0.00 0.99 0.00 0.00 33 S 8.18 4.69 0.00 3.83 3.76 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 34 I 8.27 4.39 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 1.25 0.39 1.00 0.00 0.00 35 K 9.13 4.29 0.00 1.78 1.86 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 36 S 7.75 4.62 0.00 3.90 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 37 E 8.85 4.31 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 38 G 8.05 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 39 S 8.21 4.52 0.00 3.86 3.79 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 40 C 8.53 4.41 0.00 2.91 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 41 P 0.00 4.41 0.00 2.17 2.02 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00