NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6382 8.3249 119.4663 57.3352 40.3911 173.9205 2 E 4.5283 8.4416 121.8149 53.4050 32.5747 174.4591 3 N 4.5515 9.5416 121.8425 53.9660 39.3546 174.2976 4 R 4.6626 8.3303 125.3717 55.9875 31.2019 178.8285 5 V 3.6099 8.4768 120.6364 66.1946 31.4081 177.5339 6 A 4.3694 7.9707 121.2769 54.5904 18.1624 179.3688 7 E 3.9128 8.1166 116.6079 59.6507 29.6208 179.5596 8 K 4.1659 7.9343 118.5714 59.5528 31.5807 179.5236 9 Q 4.0973 8.6756 119.0037 58.6269 28.6039 178.6597 10 K 3.9465 8.1229 120.7869 59.3484 31.8750 178.5173 11 L 3.7860 7.9178 120.5824 58.1939 41.8109 178.4032 12 F 4.4817 8.1511 114.1427 58.3583 39.2008 176.5595 13 Q 4.6342 7.4332 116.2522 54.1684 29.5723 175.1341 14 E 3.9366 7.2410 121.3487 56.3552 30.1178 177.6107 15 D 4.6930 8.5185 127.2104 53.8174 38.9503 174.7966 16 N 4.8161 7.8762 114.6841 51.2633 38.4054 176.2262 17 G 3.8986 8.2530 105.1507 46.1995 0.0000 173.9325 18 L 4.2047 7.8501 120.0249 53.2355 42.4246 175.3938 19 P 4.4898 0.0000 0.0000 62.0887 31.9887 177.4162 20 V 3.6600 8.6393 119.9940 65.4210 30.9764 177.5619 21 H 4.5681 8.2006 113.0360 56.6934 28.6899 175.3050 22 L 4.7289 8.0835 119.0996 54.1456 43.3308 177.9399 23 K 4.0613 7.8386 118.5021 58.2514 32.2319 177.8296 24 G 3.6629 8.8834 107.4416 47.2088 0.0000 173.4379 25 G 3.6426 7.3485 105.9434 44.3910 0.0000 173.7403 26 A 3.9965 8.6956 120.7022 55.6047 18.1891 180.2348 27 T 3.8963 7.8917 113.9248 66.8017 68.5044 176.2992 28 D 4.4440 7.9305 120.9195 57.5387 40.8287 178.6965 29 N 4.4586 8.1321 116.3685 56.3254 38.5650 177.4056 30 I 3.7256 7.6744 120.6753 64.3741 37.1814 178.2451 31 L 3.9520 8.2935 121.5308 58.2206 41.8957 178.3440 32 Y 4.1000 8.3208 119.5382 60.9476 38.8110 178.3538 33 R 3.7000 8.2192 118.9783 58.9152 30.0605 179.3373 34 V 3.5216 7.9791 118.3229 66.1790 31.5342 178.1583 35 T 3.7867 7.9632 115.6198 67.0410 68.2908 176.4015 36 M 3.9069 8.0876 120.2752 58.6748 32.0413 178.4403 37 T 3.8145 7.8889 116.1079 66.5630 68.5903 176.7268 38 L 3.9819 8.0092 120.9569 57.8158 41.6083 179.4745 39 C 4.1317 8.2200 116.7398 62.8756 28.1282 176.2065 40 L 4.1235 8.2879 121.0814 57.6447 41.1613 179.8460 41 G 3.6906 8.5194 106.2551 47.8379 0.0000 176.0419 42 G 3.7817 8.3331 108.5874 47.7462 0.0000 175.9970 43 T 3.9513 8.1218 118.0098 66.4129 68.4831 176.8574 44 L 4.0667 8.1653 121.0183 58.0274 41.6189 178.9109 45 Y 4.3986 8.5910 120.1731 60.7875 38.6530 178.3395 46 S 3.9368 8.3596 115.4268 61.3355 63.0430 176.5236 47 L 3.9772 8.1295 122.6420 57.5150 41.2833 178.7494 48 Y 4.0365 8.2034 119.4888 61.0325 38.7556 177.9449 49 C 3.9718 8.1458 117.6639 62.6801 28.1602 175.9481 50 L 4.0349 8.1528 122.0830 58.1163 41.4768 179.2424 51 G 3.6469 7.9742 104.6162 47.4366 0.0000 175.2061 52 W 4.1179 8.0942 130.5379 60.2447 30.6355 177.9339 53 A 3.8529 8.3803 118.8277 54.2838 17.9164 179.3194 54 S 3.8844 7.8321 113.1070 59.4370 63.1448 174.2886 55 F 4.6679 6.5976 118.3841 54.3971 41.2211 173.6170 56 P 4.3452 0.0000 0.0000 63.0978 31.9091 175.7990 57 H 4.6865 8.2691 116.5586 56.2441 29.6410 174.3559 58 K 4.2097 8.1591 124.3489 57.0398 32.1069 174.6572 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 1 F 8.32 4.64 0.00 2.95 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 2 E 8.44 4.53 0.00 2.01 1.84 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 2.22 2.37 0.00 3 N 9.54 4.55 0.00 2.71 2.79 0.00 0.00 6.89 7.65 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 4 R 8.33 4.66 0.00 1.90 1.91 0.00 3.58 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 5 V 8.48 3.61 2.23 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 1.07 0.00 0.00 0.97 0.00 0.00 6 A 7.97 4.37 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 7 E 8.12 3.91 0.00 2.23 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 2.41 2.42 0.00 8 K 7.93 4.17 0.00 1.98 2.07 0.00 2.04 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.73 7.81 9 Q 8.68 4.10 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 10 K 8.12 3.95 0.00 1.98 1.92 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.92 3.79 0.00 1.65 1.59 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.15 4.48 0.00 3.17 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 13 Q 7.43 4.63 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 14 E 7.24 3.94 0.00 2.10 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 2.29 2.22 0.00 15 D 8.52 4.69 0.00 2.67 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 16 N 7.88 4.82 0.00 2.77 2.81 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.25 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 18 L 7.85 4.20 0.00 1.76 1.57 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.19 2.16 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 20 V 8.64 3.66 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 0.85 0.00 0.00 0.91 0.00 0.00 21 H 8.20 4.57 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.08 4.73 0.00 1.64 1.58 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.84 4.06 0.00 2.02 2.17 0.00 2.05 0.00 0.00 1.95 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.33 7.81 24 G 8.88 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 25 G 7.35 3.64 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 0.00 0.00 0.00 26 A 8.70 4.00 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 27 T 7.89 3.90 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 28 D 7.93 4.44 0.00 2.94 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 29 N 8.13 4.46 0.00 2.95 2.93 0.00 0.00 7.13 7.41 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 30 I 7.67 3.73 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.93 0.00 0.00 31 L 8.29 3.95 0.00 1.90 1.74 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.32 4.10 0.00 3.19 3.27 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 33 R 8.22 3.70 0.00 2.12 1.93 0.00 3.28 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 34 V 7.98 3.52 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.96 3.79 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 1.20 0.00 0.00 36 M 8.09 3.91 0.00 1.60 1.46 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 37 T 7.89 3.81 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 1.17 0.00 0.00 38 L 8.01 3.98 0.00 1.81 1.70 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.22 4.13 0.00 3.08 2.97 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 40 L 8.29 4.12 0.00 1.70 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 43 T 8.12 3.95 4.42 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 1.24 0.00 0.00 44 L 8.17 4.07 0.00 1.91 1.79 0.95 0.66 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 45 Y 8.59 4.40 0.00 2.95 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.94 0.00 4.06 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 0.00 47 L 8.13 3.98 0.00 1.97 1.81 0.96 0.52 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 48 Y 8.20 4.04 0.00 3.22 3.28 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 0.00 0.00 0.00 0.00 49 C 8.15 3.97 0.00 3.01 2.87 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 50 L 8.15 4.03 0.00 1.84 1.85 0.90 0.84 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 51 G 7.97 3.65 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 0.00 0.00 0.00 52 W 8.09 4.12 0.00 3.00 3.28 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 0.00 0.00 0.00 0.00 53 A 8.38 3.85 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 54 S 7.83 3.88 0.00 3.66 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.60 4.67 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.10 1.96 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 57 H 8.27 4.69 0.00 3.05 3.32 0.00 6.02 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.16 4.21 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81