NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.3750 8.2493 123.5860 51.7438 20.6328 177.2523 47 T 4.3412 7.6098 104.5088 60.0076 71.1117 172.8742 48 E 4.1286 8.4480 121.2033 58.7843 30.6616 179.6175 49 L 3.8591 7.9313 121.1642 58.2507 42.0933 178.7586 50 V 3.4911 7.1761 118.0310 66.5292 31.2805 177.8141 51 N 4.3388 8.1950 115.7749 56.1199 38.2780 177.6668 52 K 4.0038 7.8128 119.5963 59.1621 32.1888 179.3464 53 I 3.0794 7.6159 120.1218 64.2267 36.9867 178.3014 54 S 4.1299 7.9068 115.9330 61.8393 62.6969 176.8083 55 E 3.9532 8.2591 120.7922 59.5413 28.9255 179.1456 56 N 4.4098 8.2753 116.3859 56.8441 38.8309 176.9745 57 C 4.4133 9.0356 118.2355 59.4776 34.5641 175.9014 58 F 4.0547 8.7669 122.9892 61.5214 38.8143 176.9189 59 E 4.0737 8.3487 116.6503 59.1584 29.3695 178.8672 60 K 4.3333 7.7135 115.8152 57.0684 32.7672 176.6105 61 C 4.8528 7.9410 114.1292 56.5151 42.0092 173.6844 62 L 4.9128 7.3720 117.8392 53.1996 45.2252 175.9053 63 T 4.2595 7.6557 115.6843 61.3592 72.5326 173.4399 64 S 3.2919 7.6200 118.6488 58.4302 62.5200 172.1618 65 P 4.6208 0.0000 0.0000 62.4793 31.2100 175.1701 66 Y 3.5801 7.4458 114.3187 59.6143 35.8968 171.9064 67 A 4.1106 8.3281 123.1038 55.3770 18.9334 179.0448 68 T 4.2454 7.6571 112.7234 62.4393 68.9451 174.8925 69 R 4.1456 8.4195 127.4092 56.4769 30.5815 176.2591 70 N 4.9874 8.1824 121.6241 51.5187 39.5968 174.0682 71 D 4.4719 8.2313 122.4084 56.2542 41.2750 177.7016 72 A 4.0024 7.9294 121.3316 55.2664 18.3831 180.0116 73 C 4.2628 8.0913 115.8087 59.6933 39.1586 175.8579 74 I 3.6678 7.4810 120.6020 64.4309 36.6829 178.0081 75 D 4.3651 7.9760 119.3616 57.4827 40.5893 178.9373 76 Q 3.9811 7.8405 118.2367 59.2216 28.7258 177.9824 77 C 4.1966 8.4203 119.6148 59.5899 43.7195 175.2259 78 L 3.9106 8.5879 121.8442 58.1712 41.7374 178.5564 79 A 4.0146 8.1101 120.5620 55.3907 18.2364 179.4798 80 K 3.9118 8.8592 118.4074 59.7936 32.1671 178.3592 81 Y 3.9391 8.2925 120.0173 61.0295 38.8215 177.8727 82 M 4.2824 8.3977 119.6800 58.4168 31.9257 178.9439 83 R 4.0374 8.1130 118.3235 59.3255 30.1946 179.3178 84 S 4.0988 7.8591 114.9243 61.0821 62.7043 176.3209 85 W 3.9537 8.1504 131.1133 60.5856 30.4781 177.6327 86 N 4.5541 8.4232 116.2512 56.6032 37.9789 177.5926 87 V 3.6165 7.6523 119.2563 65.9189 31.5934 178.2370 88 I 3.6354 7.7611 119.8314 64.3588 36.9856 178.5495 89 S 4.0524 7.9097 115.3599 61.0663 62.5853 176.5183 90 K 3.8774 8.1800 122.9213 59.3119 31.8234 178.5823 91 A 3.9677 7.8970 119.7379 55.2745 18.6954 178.6588 92 Y 4.1803 8.4433 118.2291 61.1083 39.0028 178.4970 93 I 3.5578 7.9154 120.6767 64.3283 36.9916 178.4468 94 S 4.2835 7.9073 114.5289 60.4950 62.6539 175.6581 95 R 4.2109 7.3500 120.4831 57.1448 31.2220 176.4208 96 I 3.8896 6.9179 112.0618 60.9502 37.0755 175.8620 97 Q 3.6814 7.7752 122.8833 57.3611 28.7761 174.3576 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 46 A 8.25 4.37 1.31 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 0.00 0.00 47 T 7.61 4.34 4.22 0.00 0.00 0.00 0.00 0.00 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 48 E 8.45 4.13 0.00 2.22 2.24 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 2.37 2.38 0.00 49 L 7.93 3.86 0.00 1.81 1.73 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.18 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 51 N 8.19 4.34 0.00 2.91 2.80 0.00 0.00 7.09 7.42 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 52 K 7.81 4.00 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.54 7.81 53 I 7.62 3.08 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.57 0.59 0.00 0.00 54 S 7.91 4.13 0.00 4.00 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 55 E 8.26 3.95 0.00 2.17 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 2.26 2.52 0.00 56 N 8.28 4.41 0.00 3.01 3.03 0.00 0.00 7.13 7.18 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 57 C 9.04 4.41 0.00 3.04 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 58 F 8.77 4.05 0.00 3.23 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.07 0.00 2.23 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 0.00 2.54 2.82 0.00 60 K 7.71 4.33 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.79 7.81 61 C 7.94 4.85 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.91 0.00 1.07 1.40 0.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.66 4.26 4.00 0.00 0.00 0.00 0.00 0.00 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 64 S 7.62 3.29 0.00 3.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.62 0.00 2.24 2.11 0.00 3.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 66 Y 7.45 3.58 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.33 4.11 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 68 T 7.66 4.25 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 1.21 0.00 0.00 69 R 8.42 4.15 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 70 N 8.18 4.99 0.00 2.76 2.59 0.00 0.00 7.19 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.23 4.47 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.93 4.00 1.31 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 0.00 0.00 73 C 8.09 4.26 0.00 3.05 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.48 3.67 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 1.81 0.79 0.92 0.00 0.00 75 D 7.98 4.37 0.00 2.88 2.73 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 76 Q 7.84 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 77 C 8.42 4.20 0.00 3.12 3.29 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 78 L 8.59 3.91 0.00 1.74 1.92 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.86 3.91 0.00 2.07 2.00 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.29 3.94 0.00 3.36 3.10 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 82 M 8.40 4.28 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.98 0.00 83 R 8.11 4.04 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 84 S 7.86 4.10 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.15 3.95 0.00 3.55 3.39 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 86 N 8.42 4.55 0.00 3.12 2.96 0.00 0.00 6.72 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 87 V 7.65 3.62 2.22 0.00 0.00 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 0.97 0.00 0.00 88 I 7.76 3.64 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.26 0.67 0.00 0.00 89 S 7.91 4.05 0.00 3.69 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.18 3.88 0.00 1.87 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 A 7.90 3.97 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 92 Y 8.44 4.18 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.92 3.56 1.92 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 1.52 1.14 0.87 0.00 0.00 94 S 7.91 4.28 0.00 3.96 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 95 R 7.35 4.21 0.00 2.04 1.82 0.00 3.36 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 96 I 6.92 3.89 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.57 0.48 0.00 0.00 97 Q 7.78 3.68 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00