NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6256 8.4249 119.2039 53.8723 38.8771 173.6385 6 T 4.2575 8.0261 121.3269 61.1492 70.2747 172.6937 7 S 4.7857 9.1421 118.3274 56.5667 65.3982 173.4463 8 V 4.4279 8.0535 119.7645 59.4221 35.1918 175.3378 9 V 3.9731 8.4333 123.9833 60.9338 31.5381 175.2759 10 L 4.7649 8.3743 124.9710 52.7222 43.8862 177.5574 11 G 4.0007 8.3971 109.2543 43.5047 0.0000 174.3076 12 D 4.4064 8.5705 119.0625 57.7706 40.6345 178.4783 13 H 3.9693 8.2064 117.9003 59.6441 29.7239 176.8510 14 F 4.8042 8.0874 118.3195 59.7252 38.6987 177.4470 15 Q 3.9638 8.4705 119.9293 59.4729 28.7447 179.0538 16 A 4.2188 8.0515 121.0392 54.5620 18.6130 179.2301 17 F 4.1512 8.4595 119.3749 61.5815 39.6395 177.3183 18 I 3.5618 8.4205 119.8247 64.5905 36.8023 178.1933 19 D 4.3855 7.7449 118.6028 57.1497 40.3367 178.7819 20 S 4.1314 8.2838 114.4325 60.7272 62.7141 176.1013 21 Q 4.0214 7.3855 120.4650 57.6329 28.7666 177.4841 22 V 4.3928 7.6229 118.2592 63.6008 31.9614 177.4075 23 A 4.2077 8.0930 120.4243 53.7629 18.7737 177.0750 24 D 4.4531 7.1008 115.5284 54.4922 41.8563 175.4846 25 G 4.0518 8.2535 107.6922 45.6624 0.0000 175.5481 26 R 3.7406 7.9988 120.4939 58.4489 30.3605 176.6591 27 Y 4.8574 7.5589 113.8364 56.1307 41.8988 176.4682 28 G 3.8004 8.9113 111.1032 47.6465 0.0000 174.3135 29 S 4.5882 7.7192 113.2196 55.7605 67.0512 174.8027 30 A 3.9153 8.5585 123.8058 55.7818 18.0622 180.1395 31 S 4.0508 8.0289 112.8601 61.7015 62.8919 176.4813 32 E 3.9389 7.8516 122.2593 58.8698 29.3544 179.0819 33 V 2.5588 7.3335 118.0610 65.8083 31.5621 177.8581 34 I 3.5827 7.5917 119.4793 64.6096 36.8983 178.5758 35 R 3.8296 8.0271 118.3500 59.0252 29.9535 178.6466 36 A 4.0753 7.8860 120.6733 55.2555 18.2767 179.5981 37 G 3.6553 7.9406 103.8094 48.2920 0.0000 175.6384 38 L 3.9482 8.1035 122.2016 57.2637 41.4900 179.7556 39 R 3.8471 8.1332 118.7038 59.3164 30.0687 178.4114 40 L 3.9465 7.7977 119.7323 57.8403 41.9985 178.4495 41 L 3.8880 8.0801 120.4829 58.2429 42.0668 178.3664 42 E 3.9071 8.7648 119.3540 59.5864 29.4643 178.7681 43 E 3.9636 8.5110 118.7300 59.3249 29.4220 178.9795 44 N 4.2635 8.2598 117.0651 56.6860 39.0154 176.4027 45 E 3.8815 8.4998 120.9021 59.4399 29.6881 178.6069 46 A 4.1431 8.0568 120.3416 54.5278 18.7373 179.6812 47 K 3.9409 8.2740 117.4366 59.4633 31.9942 179.2865 48 L 3.9352 8.3452 120.8602 57.9511 41.9910 178.9364 49 A 3.9266 7.8601 120.2885 55.1963 18.5038 179.2282 50 A 3.9219 7.8600 119.1045 55.3724 18.3468 179.7349 51 L 3.8877 7.9875 118.5770 58.3937 42.1615 179.4590 52 R 3.9094 7.8301 117.5408 59.2038 30.0155 178.8056 53 A 3.9495 8.2164 120.4322 55.2043 18.4297 179.5924 54 A 3.9453 7.8457 118.9536 55.2448 18.4249 179.9281 55 L 3.9788 8.0834 117.5968 57.7271 41.6070 179.7419 56 I 3.6579 7.9981 120.0399 64.3449 37.1129 177.7018 57 E 3.9628 8.2588 120.3009 59.5448 29.1175 179.1492 58 G 3.5743 7.6675 103.6852 47.9504 0.0000 175.1188 59 E 4.1230 7.9825 119.9456 59.0896 29.8528 178.8543 60 E 4.1984 8.6012 118.2987 58.0089 29.5203 178.7316 61 S 4.2157 7.7016 113.9440 58.8606 63.1037 175.2050 62 G 3.8512 7.2244 109.5392 44.8246 0.0000 172.3645 63 F 4.8001 8.2971 115.6564 55.4997 42.3464 174.7457 64 I 4.5130 8.2981 123.7152 60.0205 38.6253 175.6751 65 E 4.6144 8.8343 123.0092 56.5785 30.7582 176.0977 66 D 4.9388 7.8867 117.5154 52.2567 40.0482 175.3071 67 F 3.9758 8.6563 121.3972 60.2498 39.4830 174.8629 68 D 4.5042 7.7592 127.3823 52.7605 40.9182 176.0703 69 F 3.6889 8.2065 129.0544 60.8381 39.6753 176.2381 70 D 4.4500 8.2330 118.0993 57.3556 40.6774 178.3969 71 A 4.0444 7.9109 120.7100 54.5701 18.5044 179.0820 72 F 4.0642 8.2313 119.6044 61.6409 39.3176 177.4694 73 I 3.6015 8.0141 119.1576 64.7006 36.8702 177.6418 74 E 3.8679 8.2422 119.0247 59.9826 29.1850 179.0424 75 E 3.8508 8.7910 118.8206 59.6758 29.5680 179.5356 76 R 3.7754 7.6908 116.9816 59.2132 30.0871 178.9261 77 S 4.2147 8.0343 114.5693 61.4698 62.8575 176.3564 78 R 3.9596 8.0777 120.6890 58.8867 29.8448 176.6674 79 A 4.3107 7.5778 124.2414 52.2175 18.8596 176.7776 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 5 N 8.42 4.63 0.00 2.68 2.84 0.00 0.00 6.98 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 6 T 8.03 4.26 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 7 S 9.14 4.79 0.00 3.79 3.71 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 8 V 8.05 4.43 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 0.82 0.00 0.00 0.93 0.00 0.00 9 V 8.43 3.97 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 0.74 0.00 0.00 0.96 0.00 0.00 10 L 8.37 4.76 0.00 1.71 1.74 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.40 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 12 D 8.57 4.41 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 3.97 0.00 3.02 2.93 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.09 4.80 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 15 Q 8.47 3.96 0.00 2.46 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 16 A 8.05 4.22 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.46 4.15 0.00 3.22 3.37 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 18 I 8.42 3.56 2.00 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 1.47 0.93 0.87 0.00 0.00 19 D 7.74 4.39 0.00 2.84 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 20 S 8.28 4.13 0.00 4.03 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 21 Q 7.39 4.02 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 22 V 7.62 4.39 2.17 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 1.17 0.00 0.00 0.97 0.00 0.00 23 A 8.09 4.21 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 24 D 7.10 4.45 0.00 2.53 2.78 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 25 G 8.25 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 26 R 8.00 3.74 0.00 1.88 1.33 0.00 3.08 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 27 Y 7.56 4.86 0.00 2.88 2.74 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 28 G 8.91 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.59 0.00 4.01 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 30 A 8.56 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.05 0.00 3.86 3.91 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 0.00 0.00 0.00 32 E 7.85 3.94 0.00 2.02 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 0.00 2.49 2.38 0.00 33 V 7.33 2.56 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 0.74 0.00 0.00 0.70 0.00 0.00 34 I 7.59 3.58 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 nan 0.00 0.00 35 R 8.03 3.83 0.00 1.98 1.95 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 36 A 7.89 4.08 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 37 G 7.94 3.66 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 0.00 0.00 0.00 38 L 8.10 3.95 0.00 1.78 1.71 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.13 3.85 0.00 1.98 2.14 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 40 L 7.80 3.95 0.00 1.99 1.72 0.94 0.61 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 41 L 8.08 3.89 0.00 1.76 1.83 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.76 3.91 0.00 2.02 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 0.00 2.31 2.36 0.00 43 E 8.51 3.96 0.00 2.21 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 2.33 2.48 0.00 44 N 8.26 4.26 0.00 2.84 2.94 0.00 0.00 6.84 6.97 0.00 0.00 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 E 8.50 3.88 0.00 2.31 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 2.31 2.39 0.00 46 A 8.06 4.14 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 47 K 8.27 3.94 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 48 L 8.35 3.94 0.00 1.88 1.86 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.86 3.93 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 50 A 7.86 3.92 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.99 3.89 0.00 1.95 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.83 3.91 0.00 1.86 1.96 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 53 A 8.22 3.95 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 54 A 7.85 3.95 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 55 L 8.08 3.98 0.00 2.04 1.72 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.00 3.66 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.90 0.00 0.00 57 E 8.26 3.96 0.00 2.09 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 0.00 2.26 2.31 0.00 58 G 7.67 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.12 0.00 2.14 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 0.00 2.42 2.57 0.00 60 E 8.60 4.20 0.00 1.94 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 2.27 2.46 0.00 61 S 7.70 4.22 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 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 0.00 0.00 0.00 63 F 8.30 4.80 0.00 3.01 2.91 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 0.00 0.00 0.00 64 I 8.30 4.51 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 1.06 0.00 0.00 65 E 8.83 4.61 0.00 1.96 2.01 0.00 0.00 0.00 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 2.33 0.00 66 D 7.89 4.94 0.00 2.74 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 67 F 8.66 3.98 0.00 2.90 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 68 D 7.76 4.50 0.00 2.69 2.34 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 69 F 8.21 3.69 0.00 3.21 2.98 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 0.00 0.00 0.00 70 D 8.23 4.45 0.00 2.93 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 71 A 7.91 4.04 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 72 F 8.23 4.06 0.00 2.88 3.08 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 0.00 0.00 0.00 73 I 8.01 3.60 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.97 0.95 0.00 0.00 74 E 8.24 3.87 0.00 2.26 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 2.33 2.38 0.00 75 E 8.79 3.85 0.00 2.05 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 2.27 2.36 0.00 76 R 7.69 3.78 0.00 1.46 1.72 0.00 3.14 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.83 0.00 77 S 8.03 4.21 0.00 3.99 3.90 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 78 R 8.08 3.96 0.00 1.85 2.09 0.00 3.28 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 79 A 7.58 4.31 1.23 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 0.00 0.00