NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.4062 8.3049 120.3501 55.2814 33.6595 175.7379 0 Q 4.0935 8.1654 114.7761 55.6725 29.4469 174.3529 1 T 4.5675 8.5077 113.5704 59.6536 71.8726 173.9616 2 L 3.7504 8.2720 127.6802 58.3693 42.2443 179.6189 3 S 4.1369 7.9243 113.6022 61.4894 62.9518 176.2322 4 E 3.9772 7.8902 121.7361 58.9988 29.3214 179.0704 5 R 3.8484 8.2017 119.2056 59.3021 30.0540 178.3878 6 L 3.9918 8.1589 120.5998 57.7963 42.0875 178.8436 7 K 4.1849 7.8479 120.5822 58.9264 32.1953 178.9781 8 K 3.9925 8.0554 118.7829 59.5280 31.9963 179.4049 9 R 3.9518 8.1288 118.9733 59.2635 30.0668 178.2069 10 R 3.8831 8.2564 118.8467 59.9075 30.1915 178.6336 11 I 3.8066 7.9763 118.9336 64.0950 36.7988 178.3369 12 A 4.0986 7.8158 121.2650 54.5932 18.2387 178.6189 13 L 4.3027 7.7101 115.0244 53.5820 42.3253 176.8191 14 K 3.8473 7.6708 116.8359 58.1618 30.1509 174.7785 15 M 4.7685 7.9222 115.9494 53.6392 35.3192 176.7198 16 T 4.4936 7.9296 111.3357 60.6719 72.2215 175.9316 17 Q 4.0546 8.4130 120.0606 59.1700 28.5829 179.2714 18 T 3.8799 7.7717 116.5941 66.7083 68.6449 176.5660 19 E 3.9512 8.0886 120.1973 58.9812 29.4289 179.0876 20 L 3.8734 8.0314 120.2404 58.0815 42.2305 178.6446 21 A 3.9405 8.0516 120.6515 55.6850 18.0724 179.5037 22 T 3.7561 7.8048 112.5384 67.0034 68.6963 176.7586 23 K 3.9941 7.9459 118.7306 58.9936 32.1192 178.4478 24 A 4.4161 7.9233 119.4352 51.2780 19.5857 177.0077 25 G 3.6334 7.9809 104.9206 47.1478 0.0000 173.4088 26 V 4.2824 7.3547 110.5141 58.3216 35.7157 175.6674 27 K 4.1791 8.1708 119.9512 56.1945 32.3545 178.6196 28 Q 4.1504 8.6432 123.3247 58.9748 28.7513 177.9296 29 Q 4.4111 7.9110 120.6878 57.5579 28.9280 177.5512 30 S 4.3423 8.3764 116.7784 61.4973 62.8789 176.5219 31 I 3.7750 7.6232 122.1615 64.3581 36.8124 178.0165 32 Q 4.0838 7.7042 118.6169 59.2319 28.5651 179.2084 33 L 4.0057 7.5478 118.3009 57.7739 41.5958 179.8611 34 I 3.8480 7.3991 119.3698 64.6091 36.6745 178.4420 35 E 4.0380 9.0276 120.1696 58.8977 28.9941 178.2718 36 A 4.4999 8.5498 119.3808 51.5497 18.6377 177.9325 37 G 3.8302 7.7835 105.6720 46.5210 0.0000 175.8084 38 V 3.5421 7.9933 119.9166 65.8260 31.6017 176.8445 39 T 4.2844 7.6085 120.0509 62.4648 68.0388 174.7763 40 K 4.1228 8.6213 127.4970 57.9583 32.5483 177.6187 41 R 4.4324 7.4402 115.3900 52.6553 29.1039 172.4540 42 P 4.3218 0.0000 0.0000 63.2075 32.2677 177.3461 43 R 3.7529 8.6829 122.4104 59.2297 30.6342 178.5818 44 F 5.0154 7.6488 116.5011 56.8068 38.6815 177.4041 45 L 3.9988 7.8749 122.3055 58.2423 42.1467 177.0369 46 F 4.0737 8.3427 119.9999 61.5635 39.4098 176.7411 47 E 3.9471 8.4682 117.4456 59.4804 29.2089 179.3197 48 I 3.6984 7.9961 119.5163 64.4059 37.3205 178.3723 49 A 4.0249 8.2587 121.8474 55.2707 18.1572 179.5916 50 M 3.7956 8.0065 117.2877 58.5529 31.8459 178.9363 51 A 4.0739 7.8600 119.2236 54.4137 18.5194 178.5863 52 L 4.3604 7.3546 115.2764 53.3598 42.9572 176.4242 53 N 4.1025 7.9481 116.0518 53.9222 36.4605 172.0667 54 C 4.6674 7.7720 110.2113 55.6416 33.7527 173.7285 55 D 4.6446 8.5015 118.7786 53.0908 42.0154 174.6476 56 P 4.2907 0.0000 0.0000 65.6883 31.3879 178.7633 57 V 3.7437 8.4538 117.2516 65.9173 31.4570 177.6603 58 W 4.4779 8.6580 127.5320 60.6087 30.2390 177.4379 59 L 3.0365 7.9795 119.0437 57.8612 41.6145 178.4934 60 Q 3.7149 7.9463 118.4449 58.7767 29.0960 176.7492 61 Y 4.6282 8.0498 115.2155 57.1551 39.1759 176.9189 62 G 3.5943 8.0610 107.9732 45.4262 0.0000 173.6123 63 T 4.3408 7.8946 114.7172 61.4823 68.9694 174.0262 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 M 8.30 4.41 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 0 Q 8.17 4.09 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 1 T 8.51 4.57 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 1.23 0.00 0.00 2 L 8.27 3.75 0.00 1.61 1.54 0.80 0.75 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 3 S 7.92 4.14 0.00 4.17 4.23 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 4 E 7.89 3.98 0.00 2.27 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 2.39 2.34 0.00 5 R 8.20 3.85 0.00 1.85 1.75 0.00 2.21 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 6 L 8.16 3.99 0.00 1.73 1.78 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.85 4.18 0.00 1.98 1.79 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.34 7.81 8 K 8.06 3.99 0.00 2.11 1.92 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 9 R 8.13 3.95 0.00 2.29 2.19 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 10 R 8.26 3.88 0.00 1.98 2.13 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 11 I 7.98 3.81 1.98 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 1.46 0.96 0.92 0.00 0.00 12 A 7.82 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.30 0.00 1.90 1.70 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.67 3.85 0.00 1.89 1.86 0.00 1.54 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 15 M 7.92 4.77 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 16 T 7.93 4.49 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 1.25 0.00 0.00 17 Q 8.41 4.05 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 7.77 3.88 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 1.20 0.00 0.00 19 E 8.09 3.95 0.00 2.05 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 2.31 0.00 20 L 8.03 3.87 0.00 1.90 1.81 0.93 0.97 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 21 A 8.05 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 3.76 4.23 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 1.19 0.00 0.00 23 K 7.95 3.99 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 24 A 7.92 4.42 1.30 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 0.00 0.00 25 G 7.98 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.35 4.28 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 0.37 0.00 0.00 0.91 0.00 0.00 27 K 8.17 4.18 0.00 1.83 1.72 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.41 7.81 28 Q 8.64 4.15 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 29 Q 7.91 4.41 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 30 S 8.38 4.34 0.00 4.18 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 31 I 7.62 3.78 1.98 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 1.64 1.20 0.91 0.00 0.00 32 Q 7.70 4.08 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 33 L 7.55 4.01 0.00 1.90 1.72 0.96 0.82 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 34 I 7.40 3.85 1.96 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 1.52 0.86 0.88 0.00 0.00 35 E 9.03 4.04 0.00 1.94 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 2.46 0.00 36 A 8.55 4.50 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 37 G 7.78 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 0.00 0.00 0.00 38 V 7.99 3.54 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 0.79 0.00 0.00 0.93 0.00 0.00 39 T 7.61 4.28 4.23 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 1.20 0.00 0.00 40 K 8.62 4.12 0.00 1.71 1.82 0.00 1.95 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.34 7.81 41 R 7.44 4.43 0.00 1.82 1.87 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 42 P 0.00 4.32 0.00 2.21 2.10 0.00 3.83 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 43 R 8.68 3.75 0.00 1.57 1.50 0.00 3.01 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.24 0.00 44 F 7.65 5.02 0.00 3.15 3.20 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 0.00 45 L 7.87 4.00 0.00 1.75 1.71 0.90 0.88 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 46 F 8.34 4.07 0.00 3.18 3.18 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 47 E 8.47 3.95 0.00 2.35 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 0.00 2.49 2.62 0.00 48 I 8.00 3.70 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.93 0.00 0.00 49 A 8.26 4.02 1.34 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 50 M 8.01 3.80 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.86 0.00 51 A 7.86 4.07 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 52 L 7.35 4.36 0.00 1.62 1.76 0.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.95 4.10 0.00 2.78 2.78 0.00 0.00 6.65 7.69 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 54 C 7.77 4.67 0.00 2.95 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 55 D 8.50 4.64 0.00 2.79 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 56 P 0.00 4.29 0.00 2.36 2.19 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.06 0.00 57 V 8.45 3.74 2.43 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 1.25 0.00 0.00 1.08 0.00 0.00 58 W 8.66 4.48 0.00 3.50 3.52 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 59 L 7.98 3.04 0.00 1.87 1.82 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.95 3.71 0.00 1.77 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 61 Y 8.05 4.63 0.00 3.06 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 62 G 8.06 3.59 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 63 T 7.89 4.34 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 1.27 0.00 0.00