NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2768 8.1593 110.9393 60.6280 68.9044 171.7940 11 K 3.6532 8.4249 127.2573 57.6081 32.7011 175.5719 12 N 4.8206 8.6170 130.5464 53.9917 41.3435 177.8268 13 G 3.8325 8.1992 103.9834 46.5085 0.0000 173.7073 14 R 4.2439 7.8587 119.3266 55.4428 30.9580 174.8920 15 D 4.3160 7.7703 117.9815 54.4672 43.5619 175.2284 16 S 4.7614 8.4150 116.9595 56.2385 65.1775 173.6349 17 Q 4.2309 8.2505 118.5895 55.0222 29.4427 175.7932 18 A 4.0867 8.4143 122.9913 52.8014 18.8486 177.7891 19 K 4.2691 8.6297 119.6740 55.8113 33.0073 177.3416 20 R 3.6488 7.8252 113.0764 56.7768 26.7388 174.6637 21 L 4.8288 8.6787 119.1011 53.0689 44.2349 177.5600 22 G 4.0299 7.7417 105.5944 44.0120 0.0000 172.2191 23 V 3.9136 7.9705 120.2671 62.9233 32.0290 176.1804 24 K 4.2263 8.9324 126.1737 56.8744 33.2954 177.2037 25 R 4.3578 7.6034 116.3375 54.3779 32.8786 174.8635 26 Y 5.0340 8.0624 120.2390 56.2534 39.6150 174.8853 27 E 4.4058 8.6393 122.3309 57.8189 30.4737 176.4201 28 G 3.7325 9.9304 114.7946 45.7842 0.0000 173.6559 29 Q 4.5070 7.5649 118.4788 54.0007 32.8142 174.9556 30 V 3.9622 8.6221 126.3909 63.5930 32.6662 175.3976 31 V 4.5775 8.6935 118.1372 59.8249 36.5222 175.6851 32 R 4.8255 8.4869 123.0855 54.3422 32.2744 175.4019 33 A 4.0426 8.4786 122.5662 54.3435 17.3178 177.1692 34 G 4.5488 8.8622 109.3195 46.5739 0.0000 171.7749 35 N 4.7155 7.6472 116.3605 52.0140 38.7172 174.8938 36 I 4.1830 8.3867 121.5236 62.0597 37.6991 175.6763 37 L 4.6818 9.2068 123.1621 55.6479 45.3316 177.0922 38 V 4.6823 7.5452 117.2844 61.8370 35.2694 172.6457 39 R 5.0312 9.1137 127.8553 54.5129 32.0975 175.1777 40 Q 4.9137 8.6192 121.1050 54.4608 31.5450 175.6044 41 R 4.2709 9.1606 120.5462 58.8693 31.8748 177.4861 42 G 4.0253 8.5156 99.8611 46.0680 0.0000 173.5917 43 T 4.5876 8.4499 114.3852 62.4766 69.9682 175.1058 44 R 3.9521 8.1029 120.4352 58.6753 30.8230 177.4844 45 F 5.0053 9.0742 115.1396 55.6323 42.7809 174.3761 46 K 4.4810 8.6592 121.1214 53.5199 35.0131 175.2419 47 P 4.9201 0.0000 0.0000 64.4150 32.4957 174.2282 48 G 4.1026 7.5992 104.2843 45.9642 0.0000 170.5069 49 K 3.8280 8.1686 119.5720 57.7499 32.3297 176.8556 50 N 3.9635 8.8507 123.3468 53.8187 35.6725 175.2672 51 V 4.0478 7.1163 118.3476 61.3088 34.6126 174.5424 52 G 3.9368 7.6449 116.3369 45.0155 0.0000 170.2656 53 M 6.1148 7.8047 115.6869 53.5996 34.3826 175.6258 54 G 4.0539 8.7484 110.3182 44.1269 0.0000 173.9179 55 R 3.7322 8.6828 117.6471 59.4696 29.8583 177.5445 56 D 4.3262 7.8493 113.6008 53.1336 39.3891 176.4828 57 F 4.2544 8.0944 116.2976 58.8409 37.0758 175.3387 58 T 4.3847 8.3158 118.0646 63.7867 69.8454 173.2927 59 L 5.4495 9.0484 124.2579 53.0594 44.5770 175.7317 60 F 5.4247 8.5631 117.5955 54.6252 41.7798 174.2293 61 A 4.2452 8.6818 121.7175 52.2711 19.0193 178.0882 62 L 4.1900 8.2971 118.6290 54.9970 43.6355 176.5443 63 V 4.4750 7.3983 110.0928 59.7766 35.9431 173.5913 64 D 5.3757 7.6501 119.2154 52.8662 42.9434 174.4424 65 G 3.9210 8.6942 104.4371 44.5966 0.0000 172.2444 66 V 4.9032 7.5956 117.0767 60.4103 34.7578 175.9696 67 V 4.7580 8.2281 125.1076 61.6958 33.3788 174.3784 68 E 5.2709 9.4806 125.2338 54.8220 32.8693 174.8181 69 F 5.1811 9.9435 121.6692 56.8002 41.4641 175.3361 70 Q 4.5599 8.7907 120.6712 55.4328 32.8618 172.3871 71 D 4.9744 8.9074 126.9818 52.8592 42.4660 176.5858 72 R 4.6429 9.1044 127.8344 56.4906 31.6136 178.2274 73 G 4.1561 7.8142 112.1832 46.2410 0.0000 177.7541 74 R 3.9652 8.9749 121.9051 59.2174 29.9929 177.7913 75 L 4.0784 8.3802 117.6359 57.1088 41.8781 178.0000 76 G 4.1156 6.5182 103.2661 44.9196 0.0000 170.4439 77 R 5.1760 7.8479 118.3450 54.7838 32.3115 175.5883 78 Y 5.1530 9.2577 121.4602 55.5823 41.5634 175.0337 79 V 4.5826 7.9570 120.5681 61.6627 34.6441 173.8981 80 H 4.9402 8.9113 122.1241 54.2413 32.8160 172.0138 81 V 4.7506 8.1725 119.5352 61.5669 32.3402 175.9409 82 R 4.4707 9.2405 126.7155 53.9942 29.4892 174.2554 83 P 4.6629 0.0000 0.0000 63.2335 32.4204 175.4267 84 L 4.2972 7.7234 115.7617 55.3660 42.2104 174.2477 85 A 4.0858 8.5312 122.8753 53.2251 18.9523 176.1911 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 10 T 8.16 4.28 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 11 K 8.42 3.65 0.00 1.94 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.58 7.81 12 N 8.62 4.82 0.00 2.94 2.88 0.00 0.00 7.00 7.59 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 13 G 8.20 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 14 R 7.86 4.24 0.00 1.80 1.87 0.00 3.23 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 15 D 7.77 4.32 0.00 2.59 2.50 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 0.00 0.00 0.00 0.00 16 S 8.41 4.76 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.23 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 18 A 8.41 4.09 1.27 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 0.00 0.00 0.00 19 K 8.63 4.27 0.00 1.77 1.87 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.40 7.81 20 R 7.83 3.65 0.00 1.88 1.91 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 21 L 8.68 4.83 0.00 1.88 1.63 0.96 0.51 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 22 G 7.74 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.91 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.94 0.00 0.00 24 K 8.93 4.23 0.00 1.75 1.75 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.50 7.81 25 R 7.60 4.36 0.00 1.69 1.80 0.00 3.15 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 26 Y 8.06 5.03 0.00 3.11 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 27 E 8.64 4.41 0.00 2.15 1.94 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 2.44 2.73 0.00 28 G 9.93 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 29 Q 7.56 4.51 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 30 V 8.62 3.96 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 0.84 0.00 0.00 0.94 0.00 0.00 31 V 8.69 4.58 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 32 R 8.49 4.83 0.00 1.58 1.88 0.00 3.31 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 33 A 8.48 4.04 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 34 G 8.86 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.72 0.00 2.99 2.96 0.00 0.00 7.01 7.53 0.00 0.00 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 I 8.39 4.18 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.95 0.00 0.00 37 L 9.21 4.68 0.00 1.58 1.56 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.55 4.68 1.92 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 0.81 0.00 0.00 0.65 0.00 0.00 39 R 9.11 5.03 0.00 1.79 1.84 0.00 3.12 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 40 Q 8.62 4.91 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.05 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 41 R 9.16 4.27 0.00 1.88 2.10 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 42 G 8.52 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.45 4.59 4.02 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 0.00 0.00 1.08 0.00 0.00 44 R 8.10 3.95 0.00 2.13 1.93 0.00 3.23 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 45 F 9.07 5.01 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.48 0.00 0.79 1.09 0.00 1.23 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 0.96 7.81 47 P 0.00 4.92 0.00 2.09 2.17 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 48 G 7.60 4.10 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 0.00 0.00 0.00 49 K 8.17 3.83 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.45 1.22 7.81 50 N 8.85 3.96 0.00 2.87 2.84 0.00 0.00 6.46 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 51 V 7.12 4.05 2.07 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 0.93 0.00 0.00 0.95 0.00 0.00 52 G 7.64 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 53 M 7.80 6.11 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 54 G 8.75 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 55 R 8.68 3.73 0.00 1.69 1.91 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 56 D 7.85 4.33 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 4.25 0.00 3.42 3.23 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 58 T 8.32 4.38 4.30 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 1.27 0.00 0.00 59 L 9.05 5.45 0.00 1.52 1.48 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.56 5.42 0.00 3.15 3.02 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 0.00 0.00 0.00 61 A 8.68 4.25 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 62 L 8.30 4.19 0.00 1.50 1.67 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.40 4.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.92 0.00 0.00 64 D 7.65 5.38 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.69 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 0.00 0.00 0.00 66 V 7.60 4.90 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.95 0.00 0.00 67 V 8.23 4.76 2.30 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 0.83 0.00 0.00 0.91 0.00 0.00 68 E 9.48 5.27 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 2.39 2.40 0.00 69 F 9.94 5.18 0.00 2.97 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 70 Q 8.79 4.56 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 71 D 8.91 4.97 0.00 2.75 2.58 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 72 R 9.10 4.64 0.00 1.85 1.76 0.00 3.15 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.00 73 G 7.81 4.16 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 0.00 0.00 0.00 74 R 8.97 3.97 0.00 1.81 2.05 0.00 3.38 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 L 8.38 4.08 0.00 1.77 1.81 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.52 4.12 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 0.00 0.00 0.00 77 R 7.85 5.18 0.00 1.37 1.82 0.00 2.97 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 78 Y 9.26 5.15 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.96 4.58 1.79 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 -0.05 0.00 0.00 0.60 0.00 0.00 80 H 8.91 4.94 0.00 3.23 3.34 0.00 5.31 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.17 4.75 2.06 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 0.87 0.00 0.00 0.93 0.00 0.00 82 R 9.24 4.47 0.00 1.87 2.23 0.00 2.84 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 83 P 0.00 4.66 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 84 L 7.72 4.30 0.00 1.69 1.62 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.53 4.09 1.20 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 0.00 0.00