NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2493 0.0000 0.0000 63.2127 32.2049 175.4731 17 S 3.4690 8.7655 105.5360 58.1575 59.4129 169.5692 18 R 4.7450 8.5710 119.0510 55.0505 34.1622 175.1041 19 K 4.3260 8.3604 119.2402 56.8368 30.7019 179.5176 20 A 4.7448 8.8349 125.1343 50.6114 22.1888 177.4093 21 K 4.3686 8.4209 120.9746 56.3796 32.7421 178.2508 22 V 3.9091 8.0967 120.3703 64.0746 31.6758 176.8584 23 K 4.3539 7.7768 118.5262 59.4160 32.7452 177.5422 24 A 4.1830 8.1780 120.2902 55.7994 18.5773 179.1359 25 T 4.1923 7.7129 112.4546 61.0462 65.7988 173.0725 26 L 4.5423 6.7292 126.4007 54.9705 44.9440 171.6405 27 G 4.0938 7.8180 107.9046 44.0654 0.0000 170.9755 28 E 3.9767 9.0030 121.0607 57.0384 29.4687 176.5292 29 F 4.8971 8.0061 117.7557 54.8671 40.9480 173.6942 30 D 4.2464 8.7713 123.1859 54.2376 40.9944 176.1351 31 L 4.5978 8.2488 127.8011 56.0046 42.2657 176.6194 32 R 4.4994 8.3273 115.9229 55.8050 30.3966 174.6411 33 D 4.5486 7.8122 117.5870 53.8467 41.1231 174.9957 34 Y 4.7583 8.1464 124.7148 57.1186 38.1652 176.1586 35 R 4.5482 7.6901 118.8688 56.5655 33.2480 176.4425 36 N 4.7971 8.0149 119.2250 52.6949 34.6866 174.8325 37 V 3.5644 7.6303 126.1321 66.3724 31.6918 176.3726 38 E 3.8567 8.2608 116.8161 59.5226 28.8543 179.4327 39 V 3.4546 7.4882 118.8283 64.1611 31.9303 177.8428 40 L 3.9815 7.7866 120.5243 57.5151 41.3834 179.7259 41 K 3.3640 7.8660 116.3063 59.4856 32.0517 178.9307 42 R 3.9813 7.7288 117.4962 58.0325 30.0660 177.0177 43 F 5.0934 8.6827 118.2392 57.0809 39.0897 174.9171 44 L 5.3176 7.5380 119.8475 52.6370 45.0913 178.4912 45 S 4.4679 8.3693 117.1495 58.3877 63.8075 174.6490 46 E 4.2472 8.7488 121.6100 58.0008 28.7919 175.7183 47 T 4.8024 7.7873 116.1018 61.6547 72.7676 174.8638 48 G 4.2092 8.8359 109.6420 47.9659 0.0000 174.2607 49 K 3.8969 7.4464 119.2993 56.3798 32.2059 175.5250 50 I 4.3994 8.2708 125.2486 60.3474 37.5882 175.9213 51 L 4.0805 8.6592 126.5000 54.6194 42.4944 177.9066 52 P 4.5526 0.0000 0.0000 62.7753 32.8909 176.4239 53 R 4.2379 8.6318 116.7877 58.2808 30.8792 178.4445 54 R 3.6524 8.0611 114.1616 59.0720 29.1458 177.8015 55 R 4.3757 7.8682 117.8174 58.6001 30.7091 178.5205 56 T 4.1263 8.1219 109.6219 62.4353 69.8093 173.7815 57 G 3.9009 9.0886 109.3434 46.4731 0.0000 171.0657 58 L 4.8530 7.3169 116.8828 52.3104 46.2406 177.2621 59 S 4.6963 9.0151 115.0878 57.4412 65.5494 174.8591 60 G 3.8046 8.6343 109.5446 48.2243 0.0000 175.3239 61 K 3.8123 8.0825 121.8285 59.9363 32.0722 177.6137 62 E 3.9899 8.5315 118.9464 58.0100 28.9460 179.0168 63 Q 3.6854 8.7954 122.8669 60.1887 29.8924 179.2557 64 R 3.7706 8.8329 119.6458 58.7942 29.7891 178.0641 65 I 3.6100 7.9898 118.4835 64.5772 37.4635 177.6178 66 L 3.8870 8.0021 120.7220 58.3910 41.7832 178.8071 67 A 4.0192 7.8598 120.0763 55.2749 18.1620 179.2150 68 K 3.8087 8.0985 115.9582 60.1777 32.0401 178.6201 69 T 4.0797 8.2318 115.9774 66.6832 68.5196 176.5125 70 I 3.7807 8.3523 122.4541 64.6802 37.4448 178.4345 71 K 3.8787 8.5346 118.3581 58.4361 31.7152 179.0552 72 R 4.0569 8.1206 118.8893 58.4522 30.6607 178.0745 73 A 4.0368 8.0862 119.9984 56.1719 17.9089 179.1356 74 R 4.4760 7.7201 116.8334 58.2268 30.0238 178.5704 75 I 4.0057 7.3724 119.8926 64.9238 37.5275 177.8642 76 L 4.1824 7.8630 118.3590 59.0156 41.6815 178.0300 77 G 3.9675 7.8043 103.0690 45.5002 0.0000 174.9712 78 L 4.1955 8.0458 119.8201 56.5249 42.3081 177.1508 79 L 4.8092 7.4614 117.4649 51.7416 44.6510 174.3669 80 P 5.0169 0.0000 0.0000 62.9262 32.4608 175.6979 81 F 4.6037 8.6569 115.0964 58.6326 41.0389 175.8237 82 T 4.8311 7.6211 111.2064 61.1038 69.8348 171.9072 83 E 4.8211 8.5795 126.1100 54.2436 32.7742 175.6749 84 K 4.1876 8.2917 119.9588 55.6281 33.0245 176.9744 85 L 4.1624 8.2901 125.3057 54.1202 41.6386 176.6614 86 V 3.9136 8.0108 127.1191 62.9609 33.6972 176.3150 87 R 3.6810 8.7521 117.5291 57.8171 27.6087 176.4013 88 K 4.1849 8.7425 121.7774 57.9159 32.9143 176.5383 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 16 P 0.00 4.25 0.00 2.20 2.07 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 17 S 8.77 3.47 0.00 4.11 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 18 R 8.57 4.74 0.00 1.75 1.83 0.00 3.46 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 19 K 8.36 4.33 0.00 1.77 1.23 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.50 7.81 20 A 8.83 4.74 1.19 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 0.00 0.00 21 K 8.42 4.37 0.00 1.91 1.80 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.74 7.81 22 V 8.10 3.91 2.44 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 0.42 0.00 0.00 1.04 0.00 0.00 23 K 7.78 4.35 0.00 1.98 1.91 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.59 7.81 24 A 8.18 4.18 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 25 T 7.71 4.19 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 1.16 0.00 0.00 26 L 6.73 4.54 0.00 1.52 1.81 0.69 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.00 3.98 0.00 1.99 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 2.39 0.00 29 F 8.01 4.90 0.00 3.11 3.09 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 0.00 0.00 0.00 30 D 8.77 4.25 0.00 2.78 2.65 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 31 L 8.25 4.60 0.00 1.42 1.62 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.33 4.50 0.00 1.78 2.08 0.00 3.16 0.00 0.00 3.03 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 33 D 7.81 4.55 0.00 2.61 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 34 Y 8.15 4.76 0.00 3.05 3.06 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 35 R 7.69 4.55 0.00 1.64 1.93 0.00 3.18 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 0.00 36 N 8.01 4.80 0.00 3.14 2.76 0.00 0.00 7.00 7.82 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 37 V 7.63 3.56 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 1.03 0.00 0.00 1.01 0.00 0.00 38 E 8.26 3.86 0.00 2.14 2.20 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 2.30 2.31 0.00 39 V 7.49 3.45 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 0.90 0.00 0.00 0.27 0.00 0.00 40 L 7.79 3.98 0.00 1.72 1.84 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.87 3.36 0.00 1.65 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.64 7.81 42 R 7.73 3.98 0.00 1.61 1.37 0.00 3.11 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 43 F 8.68 5.09 0.00 3.12 2.93 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 0.00 0.00 0.00 44 L 7.54 5.32 0.00 1.59 1.70 0.93 1.08 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 45 S 8.37 4.47 0.00 4.00 3.93 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 0.00 0.00 0.00 46 E 8.75 4.25 0.00 1.97 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 2.32 2.39 0.00 47 T 7.79 4.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 48 G 8.84 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.45 3.90 0.00 1.98 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.63 7.81 50 I 8.27 4.40 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.89 0.00 0.00 51 L 8.66 4.08 0.00 1.80 1.70 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.55 0.00 2.16 2.02 0.00 3.60 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 2.12 2.18 0.00 53 R 8.63 4.24 0.00 1.83 1.94 0.00 3.59 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 54 R 8.06 3.65 0.00 1.94 2.11 0.00 3.08 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 55 R 7.87 4.38 0.00 1.87 2.04 0.00 3.31 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 56 T 8.12 4.13 4.11 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 0.00 0.00 1.27 0.00 0.00 57 G 9.09 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 0.00 0.00 0.00 58 L 7.32 4.85 0.00 1.53 1.53 0.74 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.02 4.70 0.00 4.00 4.01 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 0.00 0.00 0.00 60 G 8.63 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 61 K 8.08 3.81 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.55 7.81 62 E 8.53 3.99 0.00 2.28 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 63 Q 8.80 3.69 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 64 R 8.83 3.77 0.00 2.02 2.00 0.00 3.17 0.00 0.00 3.15 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.99 3.61 1.96 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 1.39 0.65 0.98 0.00 0.00 66 L 8.00 3.89 0.00 1.58 1.82 0.89 0.47 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 67 A 7.86 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 3.81 0.00 1.73 2.06 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.62 7.81 69 T 8.23 4.08 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 I 8.35 3.78 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.85 0.00 0.00 71 K 8.53 3.88 0.00 1.69 1.80 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.61 7.81 72 R 8.12 4.06 0.00 1.99 1.68 0.00 3.11 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.71 0.00 73 A 8.09 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.48 0.00 1.58 0.69 0.00 2.70 0.00 0.00 2.25 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 75 I 7.37 4.01 1.86 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 1.63 0.66 0.94 0.00 0.00 76 L 7.86 4.18 0.00 1.91 1.81 1.09 1.16 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 77 G 7.80 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 0.00 0.00 0.00 78 L 8.05 4.20 0.00 1.69 1.77 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.46 4.81 0.00 1.52 1.47 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.02 0.00 2.24 2.13 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 81 F 8.66 4.60 0.00 3.04 3.14 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 0.00 0.00 0.00 82 T 7.62 4.83 4.33 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 1.25 0.00 0.00 83 E 8.58 4.82 0.00 2.18 1.82 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 0.00 2.22 2.31 0.00 84 K 8.29 4.19 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 L 8.29 4.16 0.00 1.59 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.01 3.91 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 8.75 3.68 0.00 2.02 1.91 0.00 3.49 0.00 0.00 3.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 88 K 8.74 4.18 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.42 7.81