NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6524 8.4244 119.2076 52.1513 40.9385 173.7256 3 T 4.2370 7.8575 112.2832 61.2710 68.5965 172.7767 4 Q 4.3152 8.4793 120.7145 55.5690 31.2033 174.7336 5 L 4.3786 8.9011 118.7849 54.2500 42.8514 177.8514 6 M 4.1628 8.2597 121.9427 58.3280 31.9238 178.8710 7 G 3.7818 7.9959 106.2719 47.3497 0.0000 175.3044 8 E 4.0384 8.1238 120.4023 59.2787 29.5203 179.6955 9 R 4.0096 7.7774 117.7122 59.0511 30.1049 178.9445 10 I 3.7388 8.0609 119.9925 64.4728 37.0919 178.4780 11 R 4.2600 8.4414 120.6009 58.8834 29.9269 178.3385 12 A 4.0134 8.1739 120.6050 55.3360 18.4240 179.8456 13 R 4.0115 8.0881 116.4046 58.9714 30.2118 179.1317 14 R 3.9048 8.3172 118.9169 59.5496 30.1246 178.8443 15 K 4.0404 8.3974 118.5344 59.2083 31.7720 179.3191 16 K 3.9838 7.9625 119.3280 59.3135 32.2582 178.2457 17 L 4.1883 7.8021 116.5554 54.3357 42.1026 176.6928 18 K 3.8637 7.7609 117.4176 57.5926 29.9408 175.3634 19 I 4.4325 7.4861 118.3750 59.7497 39.1575 177.2217 20 R 4.3107 8.2087 123.2811 55.4378 32.3130 177.9215 21 Q 3.9475 8.5232 119.1503 59.2688 28.7809 179.1483 22 A 3.9615 7.9525 120.9569 55.0600 18.5917 179.3515 23 A 3.9412 7.9141 118.8241 55.1918 18.5604 179.4465 24 L 4.0290 8.2620 119.1752 58.0577 42.1344 179.1728 25 G 3.7345 8.4063 107.4504 47.2048 0.0000 175.5210 26 K 3.9565 7.8236 119.8020 59.5640 32.1585 179.0835 27 M 4.2098 7.8641 117.4365 57.9176 31.8995 178.2729 28 V 4.0934 7.6124 117.3078 62.9853 32.1160 176.5513 29 G 4.0517 9.2012 106.6174 45.5570 0.0000 172.9981 30 V 4.5299 7.4963 111.1645 57.9988 35.9398 175.2284 31 S 4.2974 8.1384 115.9682 58.0048 64.9799 174.7229 32 N 4.1650 8.6049 120.6025 56.2705 36.7127 177.4562 33 V 3.4645 7.6019 119.7844 65.5553 31.5976 177.5896 34 A 3.9820 7.4870 121.7218 54.4579 18.1022 179.5429 35 I 3.0850 6.7608 118.2372 64.3727 37.1509 178.4751 36 S 4.0392 7.8690 113.7143 61.5473 62.0586 176.1801 37 Q 4.0000 8.2493 120.9697 58.8253 28.4465 178.9477 38 W 4.8079 8.0323 121.3788 59.5732 28.6324 178.5324 39 E 4.3275 8.5984 118.4956 58.9785 28.6518 178.5493 40 R 4.4313 7.9867 115.5441 55.2334 30.3119 176.4576 41 S 3.8562 7.8737 113.4577 59.4887 61.1180 173.3307 42 E 4.1103 8.4921 123.9475 59.0005 29.5465 176.3674 43 T 4.8116 7.6716 106.5896 60.3523 72.0799 171.7802 44 E 4.5964 8.3330 120.3748 53.2458 32.5512 174.6137 45 P 3.9779 0.0000 0.0000 62.3826 31.7689 176.8354 46 N 4.7228 8.4979 118.8139 52.1803 39.9356 175.8944 47 G 3.5782 8.4964 105.8931 48.2042 0.0000 175.1068 48 E 3.9531 8.1227 121.9895 59.0198 29.7276 178.6186 49 N 4.4861 9.0248 116.7830 55.9153 38.4966 177.2667 50 L 3.6701 8.0885 122.3519 58.0784 42.1578 179.1112 51 L 4.0310 8.0639 119.6703 57.0567 41.5482 179.3580 52 A 3.9978 8.0663 120.8888 54.9977 18.3610 179.3796 53 L 4.0215 8.5311 119.5013 58.3557 41.6824 179.3548 54 S 4.1759 8.3302 114.4262 61.4889 62.8263 176.7157 55 K 4.0403 8.1789 121.9224 59.0903 31.5785 179.2501 56 A 4.0801 8.0282 120.2055 54.5412 18.4090 178.7031 57 L 4.3338 7.9721 114.5419 53.7398 42.9068 176.4115 58 Q 3.3842 7.7438 117.4256 57.0033 26.7947 172.3226 59 C 4.9219 7.9546 109.8972 55.2880 33.6511 174.5921 60 S 4.4026 8.3294 114.8407 57.6219 64.7171 173.3619 61 P 4.2719 0.0000 0.0000 65.9986 31.0191 178.8170 62 D 4.3235 8.0628 117.3695 57.1513 40.7420 177.8359 63 Y 4.0554 8.3087 120.3973 60.6777 38.3244 178.2041 64 L 3.6903 7.7089 119.2293 57.6269 41.5497 179.3182 65 L 3.8929 7.8833 118.8873 57.5506 42.2287 177.7113 66 K 4.3190 7.9324 114.0585 55.1279 34.0020 177.2729 67 G 3.6499 8.1497 106.9208 45.3202 0.0000 173.4302 68 D 4.5822 7.8509 124.0754 53.1873 39.5535 175.6613 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 N 8.42 4.65 0.00 2.71 2.74 0.00 0.00 6.76 6.82 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 3 T 7.86 4.24 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 1.21 0.00 0.00 4 Q 8.48 4.32 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 5 L 8.90 4.38 0.00 1.66 1.56 0.92 0.84 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 6 M 8.26 4.16 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 7 G 8.00 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 0.00 0.00 0.00 8 E 8.12 4.04 0.00 2.21 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 2.34 2.35 0.00 9 R 7.78 4.01 0.00 1.86 1.82 0.00 2.21 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 10 I 8.06 3.74 2.11 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 1.45 0.83 1.07 0.00 0.00 11 R 8.44 4.26 0.00 1.92 1.95 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 12 A 8.17 4.01 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 13 R 8.09 4.01 0.00 1.95 2.04 0.00 3.39 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 14 R 8.32 3.90 0.00 1.98 2.10 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 15 K 8.40 4.04 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 16 K 7.96 3.98 0.00 1.93 1.99 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 17 L 7.80 4.19 0.00 1.97 1.71 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.76 3.86 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 19 I 7.49 4.43 1.89 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 1.31 0.62 0.93 0.00 0.00 20 R 8.21 4.31 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 21 Q 8.52 3.95 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 22 A 7.95 3.96 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 23 A 7.91 3.94 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 24 L 8.26 4.03 0.00 1.79 1.84 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.82 3.96 0.00 1.89 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.53 7.81 27 M 7.86 4.21 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 28 V 7.61 4.09 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 1.10 0.00 0.00 1.10 0.00 0.00 29 G 9.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.50 4.53 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 1.12 0.00 0.00 0.67 0.00 0.00 31 S 8.14 4.30 0.00 3.97 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 32 N 8.60 4.17 0.00 2.87 3.08 0.00 0.00 5.59 7.68 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 33 V 7.60 3.46 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 0.99 0.00 0.00 0.87 0.00 0.00 34 A 7.49 3.98 0.77 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 0.00 0.00 35 I 6.76 3.08 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.90 0.00 0.00 36 S 7.87 4.04 0.00 4.01 3.96 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 37 Q 8.25 4.00 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 38 W 8.03 4.81 0.00 3.54 3.12 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 0.00 0.00 0.00 39 E 8.60 4.33 0.00 2.18 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 0.00 2.42 2.66 0.00 40 R 7.99 4.43 0.00 1.89 1.97 0.00 3.32 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 41 S 7.87 3.86 0.00 4.05 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 42 E 8.49 4.11 0.00 1.95 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 2.35 2.27 0.00 43 T 7.67 4.81 4.39 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 1.28 0.00 0.00 44 E 8.33 4.60 0.00 1.86 1.69 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 2.13 2.22 0.00 45 P 0.00 3.98 0.00 1.58 0.49 0.00 3.26 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.00 46 N 8.50 4.72 0.00 3.02 3.06 0.00 0.00 6.06 6.93 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 47 G 8.50 3.58 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 0.00 48 E 8.12 3.95 0.00 2.05 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 2.41 2.42 0.00 49 N 9.02 4.49 0.00 2.80 3.05 0.00 0.00 6.70 6.60 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 50 L 8.09 3.67 0.00 1.56 1.73 0.75 0.49 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 51 L 8.06 4.03 0.00 1.72 1.69 0.91 0.56 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 52 A 8.07 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.02 0.00 1.85 1.82 1.17 0.76 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 54 S 8.33 4.18 0.00 4.34 4.17 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 55 K 8.18 4.04 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.62 7.81 56 A 8.03 4.08 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 57 L 7.97 4.33 0.00 1.69 1.77 1.00 0.86 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 58 Q 7.74 3.38 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 59 C 7.95 4.92 0.00 3.10 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 60 S 8.33 4.40 0.00 4.10 4.06 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 61 P 0.00 4.27 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 62 D 8.06 4.32 0.00 2.71 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 63 Y 8.31 4.06 0.00 3.08 3.16 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 0.00 0.00 0.00 64 L 7.71 3.69 0.00 1.80 1.61 0.92 0.85 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 65 L 7.88 3.89 0.00 1.62 1.63 0.83 0.67 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 66 K 7.93 4.32 0.00 1.97 1.74 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.29 7.81 67 G 8.15 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 0.00 0.00 0.00 68 D 7.85 4.58 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00