NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4509 8.3349 115.3052 57.7049 63.7214 173.3606 8 D 4.6429 8.6308 127.1330 53.4553 42.0544 174.3591 9 F 5.3072 8.5794 115.3461 55.7055 42.0130 173.5081 10 V 4.5278 8.8995 111.9060 59.5146 35.7282 174.9225 11 V 4.8555 8.8172 124.1408 61.3825 33.7116 174.3760 12 I 4.8735 8.8162 128.8584 59.3583 40.2742 174.2706 13 K 5.0565 9.2180 129.0558 54.2857 34.3828 175.0169 14 A 4.4700 8.8603 130.4566 52.1493 19.2546 177.4074 15 L 4.7410 8.5952 121.4100 54.5855 42.5382 175.8282 16 E 4.7455 7.6185 115.5539 55.2043 32.2766 174.6127 17 D 4.4480 8.5920 120.2715 55.0639 41.7255 176.9293 18 G 3.8399 8.8833 109.4820 45.7308 0.0000 174.0164 19 V 3.9160 7.6985 119.7510 62.6292 33.1145 174.4018 20 N 5.2413 9.6845 125.5187 51.9137 41.8696 173.2080 21 V 4.6237 8.7534 127.3481 61.5018 32.7750 173.5598 22 I 4.7050 8.5563 129.3158 59.7980 38.9285 175.2916 23 G 4.1952 8.6719 114.9839 45.4841 0.0000 172.3054 24 L 5.5933 8.7057 124.6245 52.6204 44.3978 176.2135 25 T 4.3948 8.9494 114.5485 61.8390 69.2609 174.1464 26 R 4.1192 7.6867 125.6608 57.1158 30.8276 174.9498 27 G 3.7829 8.9299 109.6277 44.0627 0.0000 172.5849 28 A 4.0690 8.7767 120.8637 54.9274 18.4906 178.1624 29 D 4.8458 7.7610 113.3165 53.3963 42.6066 175.8181 30 T 4.6925 8.0796 117.2200 62.2252 71.2261 173.5239 31 R 4.7908 8.4189 123.9507 54.9336 35.7103 174.0227 32 F 5.1287 8.9076 116.6719 57.1903 38.1493 175.0051 33 H 4.6550 8.6921 118.4777 55.7965 30.4091 173.9910 34 H 4.8360 7.7538 116.8638 55.3545 33.2461 172.2651 35 S 4.4602 8.6545 119.2809 56.5155 64.7423 172.3316 36 E 4.4044 8.6090 129.6972 54.7900 30.8752 174.7546 37 K 4.7429 8.6097 128.6799 55.7339 33.6275 175.5748 38 L 4.9839 8.9911 126.8726 53.1871 45.2432 175.8975 39 D 5.0010 9.6430 123.4359 51.8441 44.0403 175.5210 40 K 3.8020 8.4401 120.8568 59.1373 31.9858 176.5894 41 G 4.0146 8.9749 116.1294 45.0820 0.0000 173.0491 42 E 4.3288 8.6359 119.8584 56.0225 31.0167 175.7422 43 V 4.9324 8.2863 122.2911 61.1037 33.7792 174.3243 44 L 4.7051 8.7686 129.5190 53.3281 44.6789 174.9565 45 I 4.8742 8.5448 126.7445 59.7129 38.5284 174.4513 46 A 4.8129 8.9197 128.8741 50.0491 22.1227 174.8803 47 Q 4.9896 8.5401 119.3950 54.2522 31.3283 175.3977 48 F 4.5938 8.6207 121.1219 57.8322 38.3762 175.5571 49 T 4.7146 8.7540 112.9818 60.4853 71.2155 173.7255 50 E 4.1807 8.9875 120.2393 59.3886 29.9856 178.0576 51 H 4.5991 7.8334 113.9963 55.9213 29.9415 174.4772 52 T 5.1574 8.2521 117.1048 61.9594 70.7291 174.1597 53 S 4.9082 8.7147 118.7144 57.4710 64.1986 173.0164 54 A 4.9022 7.6611 120.7508 51.4251 22.3431 175.4562 55 I 4.9536 8.6864 121.5995 59.3464 40.3202 174.7377 56 K 4.5689 8.9732 128.3874 54.5674 34.5692 174.6425 57 V 4.7523 8.3989 127.0918 61.2423 33.2568 174.4272 58 R 4.4363 9.0945 128.9390 55.4322 32.3290 174.3810 59 G 3.7482 8.9086 111.2897 43.6141 0.0000 172.2681 60 K 4.5635 8.7980 120.1801 55.8951 32.9217 175.7043 61 A 5.1465 8.7332 128.0737 50.8033 23.7737 173.6130 62 Y 4.8384 9.1878 120.8113 56.0569 41.0710 174.4715 63 I 5.0634 8.2460 127.6317 59.5496 40.5029 174.6000 64 Q 5.1483 9.0069 125.4345 54.4097 32.0249 174.8978 65 T 4.5398 8.5890 112.6423 59.8344 72.4193 174.5681 66 R 3.7606 8.4477 120.4548 59.8940 30.0249 176.9291 67 H 4.5476 7.5833 112.0388 55.8944 29.1633 174.3402 68 G 3.7595 7.6256 106.7962 44.2014 0.0000 172.9860 69 V 4.6770 8.0232 113.1296 59.8475 34.0680 175.3853 70 I 4.5738 8.1814 122.5693 59.6505 42.0135 173.1175 71 E 5.4155 8.8249 126.4276 53.6953 31.7067 176.2688 72 S 4.6177 8.6038 119.1913 57.9902 65.4240 172.6171 73 E 4.8056 8.4096 118.4865 54.7065 33.0861 175.7849 74 G 3.8462 8.6078 112.3988 45.3041 0.0000 173.6057 75 K 4.0511 8.8222 121.3713 56.3849 32.7389 175.4735 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 7 S 8.33 4.45 0.00 3.92 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 8 D 8.63 4.64 0.00 2.99 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 9 F 8.58 5.31 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.90 4.53 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 0.60 0.00 0.00 0.87 0.00 0.00 11 V 8.82 4.86 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 1.19 0.00 0.00 1.16 0.00 0.00 12 I 8.82 4.87 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.93 0.00 0.00 13 K 9.22 5.06 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 A 8.86 4.47 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 15 L 8.60 4.74 0.00 1.68 1.71 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.62 4.75 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 17 D 8.59 4.45 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 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 0.00 0.00 0.00 19 V 7.70 3.92 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 0.97 0.00 0.00 0.99 0.00 0.00 20 N 9.68 5.24 0.00 2.67 2.55 0.00 0.00 6.74 6.24 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 21 V 8.75 4.62 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 0.89 0.00 0.00 0.92 0.00 0.00 22 I 8.56 4.71 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.95 0.00 0.00 23 G 8.67 4.20 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 0.00 24 L 8.71 5.59 0.00 1.85 1.64 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.95 4.39 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 1.27 0.00 0.00 26 R 7.69 4.12 0.00 1.85 1.95 0.00 3.16 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.93 3.78 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 0.00 0.00 0.00 28 A 8.78 4.07 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 29 D 7.76 4.85 0.00 2.68 2.61 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 0.00 30 T 8.08 4.69 4.27 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 1.25 0.00 0.00 31 R 8.42 4.79 0.00 1.75 1.80 0.00 3.05 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 32 F 8.91 5.13 0.00 2.94 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 33 H 8.69 4.66 0.00 3.11 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.75 4.84 0.00 3.24 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.65 4.46 0.00 3.85 3.70 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 36 E 8.61 4.40 0.00 2.14 1.78 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 2.26 2.29 0.00 37 K 8.61 4.74 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 8.99 4.98 0.00 1.57 1.51 0.93 0.85 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 39 D 9.64 5.00 0.00 2.54 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 40 K 8.44 3.80 0.00 1.64 1.78 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 8.97 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 0.00 0.00 0.00 42 E 8.64 4.33 0.00 1.90 1.87 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 2.32 2.55 0.00 43 V 8.29 4.93 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 0.80 0.00 0.00 0.95 0.00 0.00 44 L 8.77 4.71 0.00 1.79 1.48 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.54 4.87 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 1.30 0.76 0.75 0.00 0.00 46 A 8.92 4.81 1.16 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 47 Q 8.54 4.99 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.62 4.59 0.00 2.98 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 49 T 8.75 4.71 4.31 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 1.28 0.00 0.00 50 E 8.99 4.18 0.00 1.95 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 0.00 1.99 2.23 0.00 51 H 7.83 4.60 0.00 3.31 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.25 5.16 4.37 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 1.36 0.00 0.00 53 S 8.71 4.91 0.00 3.92 4.06 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 54 A 7.66 4.90 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 55 I 8.69 4.95 1.86 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.87 0.00 0.00 56 K 8.97 4.57 0.00 1.83 1.64 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.34 7.81 57 V 8.40 4.75 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 0.82 0.00 0.00 0.92 0.00 0.00 58 R 9.09 4.44 0.00 1.80 1.70 0.00 3.06 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 59 G 8.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.56 0.00 1.85 1.72 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.41 7.81 61 A 8.73 5.15 1.24 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 0.00 0.00 0.00 62 Y 9.19 4.84 0.00 3.04 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 63 I 8.25 5.06 1.93 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 1.21 0.80 0.85 0.00 0.00 64 Q 9.01 5.15 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 65 T 8.59 4.54 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 1.15 0.00 0.00 66 R 8.45 3.76 0.00 1.60 1.75 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 67 H 7.58 4.55 0.00 3.21 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.63 3.76 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 0.00 0.00 0.00 69 V 8.02 4.68 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 0.69 0.00 0.00 0.87 0.00 0.00 70 I 8.18 4.57 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.49 0.84 0.00 0.00 71 E 8.82 5.42 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.11 0.00 72 S 8.60 4.62 0.00 3.89 3.99 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 0.00 0.00 0.00 73 E 8.41 4.81 0.00 1.81 1.83 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 2.21 2.31 0.00 74 G 8.61 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 75 K 8.82 4.05 0.00 1.79 2.01 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.25 7.81