NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.7571 8.4449 117.8566 55.7049 30.9158 173.7785 9 M 4.6144 7.7466 117.6808 52.0468 35.6917 169.2551 10 V 4.5345 8.0375 122.3896 60.7412 35.3687 172.2962 11 E 4.6562 8.8221 118.8236 57.2612 34.7776 174.6112 12 E 4.6208 7.9282 116.8314 54.0283 32.2114 174.5961 13 V 4.4230 8.0112 118.8208 61.3022 32.9114 173.3937 14 L 4.6075 7.6092 127.7156 56.8891 47.6315 177.6878 15 E 4.3734 7.7683 121.3473 54.9068 31.2429 176.0828 16 E 4.6924 8.3012 118.6187 56.1573 30.1240 175.8452 17 E 4.1478 8.1302 115.5662 56.2280 30.5481 172.6578 18 E 3.5589 8.5964 128.0846 55.5317 29.6409 174.2792 19 E 5.3102 8.1228 124.2954 56.5321 32.0473 176.2825 20 E 4.0033 7.9993 123.3823 55.2633 33.5903 174.7319 21 Y 4.9622 7.2754 123.6734 56.6906 40.5497 174.6867 22 V 4.6842 8.2886 118.4066 62.2846 35.7581 175.2470 23 V 3.8977 8.3780 125.5041 61.6447 31.7595 174.9480 24 E 4.2052 8.2223 128.9050 56.6432 30.8972 175.5715 25 K 3.9970 6.8801 117.3163 56.7612 36.6141 172.3000 26 V 4.2339 7.6134 121.4935 63.3572 31.6026 174.6318 27 L 4.2386 7.3535 117.7099 55.3205 48.2995 173.7552 28 D 3.3700 6.5024 115.4779 54.1977 46.1943 174.5770 29 R 5.3032 8.5922 116.9369 55.7025 33.4056 174.6782 30 R 4.4946 8.4185 121.6848 55.5043 33.8877 173.7516 31 V 4.6118 8.2974 124.5672 61.5278 33.5163 175.1927 32 V 4.0716 8.1492 123.8003 62.0362 32.4880 176.7676 33 K 5.4463 8.0347 132.7940 56.1134 33.7262 174.0519 34 G 3.4369 7.6457 115.5910 46.4013 0.0000 174.2730 35 K 4.4791 7.6419 120.4646 54.8317 34.5717 174.6956 36 V 4.5675 7.9833 118.4317 61.3283 34.3653 174.0362 37 E 5.3307 8.7279 126.1383 54.9655 33.3409 174.8354 38 Y 4.9064 8.7956 118.6516 56.3316 41.8457 174.3664 39 L 3.7812 7.9362 127.7871 53.7826 43.0723 175.6918 40 L 4.3598 8.1199 125.1000 52.6210 45.7745 175.7938 41 K 4.1760 8.1626 123.5018 54.8305 32.4619 175.5247 42 W 4.5437 8.6306 127.5211 56.0477 29.9424 176.3453 43 K 4.6122 8.6532 122.2990 56.7495 32.3776 176.9832 44 G 4.0040 8.4278 108.5604 45.9067 0.0000 174.1479 45 F 4.5233 7.6654 117.6558 58.3134 40.2470 177.0320 46 S 4.6655 7.4433 114.4135 57.3515 65.7646 173.1407 47 D 4.5612 8.7581 118.9241 57.5370 40.7654 177.1033 48 E 4.7286 7.9791 116.1718 55.5232 30.6358 174.5576 49 D 4.6424 8.0587 132.6736 53.8232 41.4821 175.9383 50 N 4.9139 7.8542 117.6894 52.9340 37.6280 174.5462 51 T 4.6609 8.4979 121.0348 61.6899 71.6322 173.7932 52 W 4.8276 8.9085 125.6875 56.0238 29.9329 175.4989 53 E 5.0718 8.7692 125.1581 53.7217 32.4391 174.1084 54 P 5.1930 0.0000 0.0000 62.6898 32.9293 176.2832 55 E 4.6394 8.7242 118.6724 57.3091 29.8100 177.1023 56 E 4.3851 8.3354 119.1049 57.7755 30.2449 176.7203 57 N 4.8450 7.9752 112.9856 54.1318 41.9170 175.1136 58 L 3.9202 7.6293 116.6967 55.8588 42.5573 177.9197 59 D 4.8535 8.5432 125.5772 52.9183 40.1312 177.9226 60 C 4.6672 7.1393 118.3867 57.1472 29.9001 173.2806 61 P 4.4020 0.0000 0.0000 63.9687 31.3089 177.3095 62 D 4.3721 7.7368 117.3050 56.8075 41.7744 177.5386 63 L 4.1125 7.6197 119.0148 57.4286 41.7210 179.3565 64 I 3.2168 7.2880 119.7811 63.9491 36.8537 177.5701 65 A 4.3143 7.3066 117.4645 52.9018 18.2695 178.0780 66 E 4.1650 7.8630 119.1250 57.6951 30.0284 177.2560 67 F 4.1499 8.0482 119.4939 59.1494 40.2864 177.0130 68 L 4.3290 8.1780 118.1564 57.6368 40.8097 177.8485 69 Q 4.3374 7.8590 119.6709 57.6266 29.9004 177.1139 70 S 4.7016 7.6608 117.6930 61.0071 62.6246 176.2857 71 Q 3.8190 7.0211 118.4474 59.6536 27.9615 179.2265 72 K 4.3252 7.8064 118.9909 57.6386 32.5640 177.6520 73 T 4.3549 7.6795 116.1829 62.1913 71.2025 173.8799 74 A 4.7061 6.9292 135.0000 52.5234 19.4165 175.6160 75 H 4.8868 7.7271 110.7922 54.8641 30.7069 174.0446 76 E 4.3819 8.2575 119.7094 57.8777 30.4687 178.0079 77 T 4.6127 7.5738 111.1217 61.0718 67.9706 173.0712 78 D 4.6610 7.9138 117.5194 52.2429 44.2891 173.8888 79 K 4.5674 8.2233 124.6507 55.0683 35.5198 176.0701 80 S 4.1342 8.5825 113.0819 59.2344 63.1508 170.5929 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 8 H 8.44 4.76 0.00 3.13 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.75 4.61 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 10 V 8.04 4.53 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 0.77 0.00 0.00 0.94 0.00 0.00 11 E 8.82 4.66 0.00 2.04 2.03 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 2.18 2.33 0.00 12 E 7.93 4.62 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 2.22 2.26 0.00 13 V 8.01 4.42 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 0.96 0.00 0.00 0.95 0.00 0.00 14 L 7.61 4.61 0.00 1.75 1.58 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.77 4.37 0.00 2.12 1.96 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 2.31 2.24 0.00 16 E 8.30 4.69 0.00 1.89 1.89 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 2.34 2.30 0.00 17 E 8.13 4.15 0.00 1.99 1.85 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 2.30 2.32 0.00 18 E 8.60 3.56 0.00 2.08 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 2.20 2.34 0.00 19 E 8.12 5.31 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 20 E 8.00 4.00 0.00 1.74 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 21 Y 7.28 4.96 0.00 3.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.29 4.68 2.16 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 0.95 0.00 0.00 0.99 0.00 0.00 23 V 8.38 3.90 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 0.33 0.00 0.00 0.89 0.00 0.00 24 E 8.22 4.21 0.00 1.98 1.96 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 2.22 2.21 0.00 25 K 6.88 4.00 0.00 1.78 1.62 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.13 7.81 26 V 7.61 4.23 1.95 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 0.67 0.00 0.00 0.88 0.00 0.00 27 L 7.35 4.24 0.00 1.23 1.29 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 D 6.50 3.37 0.00 2.56 2.62 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 29 R 8.59 5.30 0.00 1.91 1.84 0.00 3.14 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.00 30 R 8.42 4.49 0.00 1.50 0.98 0.00 2.95 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 31 V 8.30 4.61 2.03 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 0.82 0.00 0.00 0.95 0.00 0.00 32 V 8.15 4.07 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 0.89 0.00 0.00 0.84 0.00 0.00 33 K 8.03 5.45 0.00 1.98 1.90 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.14 7.81 34 G 7.65 3.44 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 0.00 35 K 7.64 4.48 0.00 1.81 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.40 7.81 36 V 7.98 4.57 2.13 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 0.77 0.00 0.00 0.94 0.00 0.00 37 E 8.73 5.33 0.00 2.16 2.15 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 2.20 2.32 0.00 38 Y 8.80 4.91 0.00 2.95 2.72 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 39 L 7.94 3.78 0.00 0.27 0.75 -0.68 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.12 4.36 0.00 1.08 0.89 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.16 4.18 0.00 1.69 1.60 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.50 7.81 42 W 8.63 4.54 0.00 3.33 3.19 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 0.00 0.00 0.00 0.00 43 K 8.65 4.61 0.00 1.72 2.00 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.44 7.81 44 G 8.43 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 0.00 0.00 0.00 0.00 45 F 7.67 4.52 0.00 2.96 2.96 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 46 S 7.44 4.67 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.76 4.56 0.00 2.71 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 48 E 7.98 4.73 0.00 2.04 1.91 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 2.23 2.25 0.00 49 D 8.06 4.64 0.00 2.80 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 50 N 7.85 4.91 0.00 2.50 2.80 0.00 0.00 6.28 7.74 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 51 T 8.50 4.66 4.61 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 1.25 0.00 0.00 52 W 8.91 4.83 0.00 3.19 3.41 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 53 E 8.77 5.07 0.00 2.10 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 2.38 2.45 0.00 54 P 0.00 5.19 0.00 2.19 2.24 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 55 E 8.72 4.64 0.00 2.20 2.48 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 2.44 2.44 0.00 56 E 8.34 4.39 0.00 2.03 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 0.00 2.35 2.37 0.00 57 N 7.98 4.85 0.00 2.70 2.84 0.00 0.00 6.99 7.89 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 58 L 7.63 3.92 0.00 1.93 1.71 1.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.54 4.85 0.00 2.65 2.62 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 60 C 7.14 4.67 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 61 P 0.00 4.40 0.00 2.24 2.27 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 62 D 7.74 4.37 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.11 0.00 1.62 1.54 0.83 0.69 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 64 I 7.29 3.22 1.58 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.21 0.51 0.00 0.00 65 A 7.31 4.31 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 66 E 7.86 4.16 0.00 2.16 2.10 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 2.27 2.38 0.00 67 F 8.05 4.15 0.00 3.18 3.03 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 68 L 8.18 4.33 0.00 2.05 2.17 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.86 4.34 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 70 S 7.66 4.70 0.00 3.43 3.68 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 0.00 0.00 0.00 0.00 71 Q 7.02 3.82 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 72 K 7.81 4.33 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.46 7.81 73 T 7.68 4.35 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 74 A 6.93 4.71 1.03 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 75 H 7.73 4.89 0.00 3.11 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.26 4.38 0.00 1.86 1.91 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 2.19 2.31 0.00 77 T 7.57 4.61 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 1.24 0.00 0.00 78 D 7.91 4.66 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.57 0.00 1.74 1.71 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 80 S 8.58 4.13 0.00 4.00 3.85 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