NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.1889 8.1733 122.0449 56.3315 33.6868 174.5860 9 S 4.9703 8.2996 122.5044 56.4856 66.3045 173.2970 10 F 5.1164 9.3818 121.0231 55.2564 40.2157 173.9339 11 P 4.3372 0.0000 0.0000 65.2305 31.9035 179.0068 12 E 3.9970 8.1721 114.9654 58.5780 29.8041 177.9165 13 V 3.7558 7.2719 111.7795 61.3647 32.2441 176.1555 14 V 3.9194 7.3414 120.9547 64.4157 31.5395 176.2903 15 G 4.0104 9.4254 116.0520 45.2621 0.0000 173.7301 16 K 4.3511 7.6846 119.8543 55.6944 33.0230 176.7196 17 T 4.3059 8.5941 116.8814 62.0546 69.1345 175.1897 18 V 3.2723 8.0494 124.6781 66.4395 31.4929 178.2860 19 D 4.1931 7.7858 117.7004 57.3859 40.6263 178.7144 20 Q 4.0120 7.9378 117.9180 58.6703 28.8289 178.2301 21 A 4.0769 8.3295 122.2389 55.1046 18.4946 179.4080 22 R 4.1810 8.2168 117.6799 59.8547 30.0292 178.4231 23 E 4.0761 8.0499 119.1348 59.0389 29.4488 178.5683 24 Y 4.0473 8.2194 119.4273 60.8526 38.7145 178.4336 25 F 4.3211 8.6137 118.7233 60.8735 38.9679 177.5215 26 T 3.9177 8.5549 109.9258 65.0077 68.0133 175.9837 27 L 3.8262 8.0892 122.1670 58.0279 42.3304 177.9408 28 H 4.2030 8.2526 114.2909 56.3942 30.2193 175.3277 29 Y 5.7528 8.3192 116.9457 55.1297 38.1090 174.3299 30 P 4.5463 0.0000 0.0000 64.2508 32.7784 178.4451 31 Q 3.9737 8.0483 118.6508 58.6825 28.8288 175.6823 32 Y 5.3152 7.2396 113.9899 56.8732 39.8735 175.3175 33 D 4.5900 8.9693 123.2553 53.4223 42.2507 175.7363 34 V 4.3645 7.8210 123.4325 59.7965 33.3480 174.6736 35 Y 4.8287 8.4889 122.3572 55.9383 41.8468 174.5205 36 F 5.0830 8.9974 120.4727 55.8427 41.4751 174.7318 37 L 5.0151 9.1778 123.6085 51.8508 45.8633 174.4832 38 P 3.9800 0.0000 0.0000 62.0040 32.2603 175.9137 39 E 3.9842 8.6061 123.2227 58.1548 29.6956 177.8636 40 G 3.8207 8.4509 108.4866 45.5241 0.0000 174.0252 41 S 4.2775 7.5000 115.9458 57.5828 63.4200 172.4283 42 P 4.4523 0.0000 0.0000 62.7570 31.8683 176.0107 43 V 4.5604 7.8927 113.6627 59.1697 35.6119 175.4069 44 T 4.0452 8.2926 111.6008 62.0522 69.2856 174.7288 45 L 4.6390 8.1686 124.0270 54.3393 42.1568 176.0409 46 D 4.6758 7.7864 117.7852 52.2264 41.3214 175.2832 47 L 4.4249 8.1918 118.5711 52.9371 43.2780 176.6986 48 R 4.4311 7.8908 122.8731 54.2521 31.7387 176.2101 49 Y 3.9925 8.4959 121.7277 59.9530 38.1793 176.9252 50 N 5.1515 8.2656 116.5966 52.3533 38.0181 173.7372 51 R 5.0347 7.7060 119.1575 54.8490 33.7852 174.6111 52 V 4.2214 8.6835 124.6603 61.2505 34.4869 174.2212 53 R 4.4848 8.3914 127.7711 54.7600 31.4090 176.1642 54 V 3.9403 8.4721 126.0780 61.3585 32.9066 174.3591 55 F 5.9386 8.9931 127.0866 55.4864 40.5088 174.8731 56 Y 5.2494 8.1001 120.0493 53.7587 42.3464 173.8501 57 N 4.7741 9.2965 120.0627 52.6595 39.2357 174.2426 58 P 4.5507 0.0000 0.0000 65.5186 31.6938 178.1790 59 G 3.8098 8.1998 106.1433 47.4663 0.0000 174.1345 60 T 4.4823 7.6523 106.8335 60.1510 70.6227 173.6923 61 N 4.2755 8.4602 118.7486 54.2023 36.9892 173.6852 62 V 4.7997 7.6235 110.0809 59.3627 34.3929 176.0773 63 V 4.2133 8.7006 117.5175 61.5868 31.0176 176.4890 64 N 4.8770 8.7781 121.9174 52.5653 38.2410 173.9552 65 H 4.9433 7.8334 116.1112 53.5887 31.6199 173.3996 66 V 3.8944 8.5430 124.4994 62.7186 31.8740 173.7970 67 P 4.8643 0.0000 0.0000 62.8965 33.0549 174.6016 68 H 5.5500 8.1385 115.3336 53.7809 31.9807 173.2509 69 V 3.8089 8.9799 113.6879 60.5521 32.1684 176.9728 70 G 3.4131 8.6032 112.9554 46.1046 0.0000 172.2203 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 K 8.17 4.19 0.00 1.81 1.59 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 1.22 7.81 9 S 8.30 4.97 0.00 3.84 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 10 F 9.38 5.12 0.00 3.18 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 11 P 0.00 4.34 0.00 2.19 2.12 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 12 E 8.17 4.00 0.00 1.95 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 1.66 2.08 0.00 13 V 7.27 3.76 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 -0.01 0.00 0.00 1.00 0.00 0.00 14 V 7.34 3.92 2.18 0.00 0.00 0.00 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 1.02 0.00 0.00 15 G 9.43 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 16 K 7.68 4.35 0.00 2.03 1.72 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.32 7.81 17 T 8.59 4.31 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 1.27 0.00 0.00 18 V 8.05 3.27 1.63 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 0.22 0.00 0.00 0.21 0.00 0.00 19 D 7.79 4.19 0.00 2.72 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 20 Q 7.94 4.01 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 21 A 8.33 4.08 1.65 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 22 R 8.22 4.18 0.00 1.91 1.92 0.00 2.80 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.42 0.00 23 E 8.05 4.08 0.00 2.32 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 2.34 2.35 0.00 24 Y 8.22 4.05 0.00 3.06 3.01 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 25 F 8.61 4.32 0.00 3.51 3.17 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 0.00 0.00 0.00 0.00 26 T 8.55 3.92 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 1.27 0.00 0.00 27 L 8.09 3.83 0.00 1.51 1.79 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 4.20 0.00 2.19 2.30 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.32 5.75 0.00 3.49 3.32 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 30 P 0.00 4.55 0.00 2.17 2.35 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 31 Q 8.05 3.97 0.00 1.35 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 32 Y 7.24 5.32 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.59 0.00 2.53 2.05 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 34 V 7.82 4.36 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 0.59 0.00 0.00 -0.21 0.00 0.00 35 Y 8.49 4.83 0.00 2.65 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 36 F 9.00 5.08 0.00 2.94 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 37 L 9.18 5.02 0.00 1.13 1.52 0.73 0.84 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 38 P 0.00 3.98 0.00 1.98 1.78 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 39 E 8.61 3.98 0.00 2.06 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 0.00 2.29 2.27 0.00 40 G 8.45 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.50 4.28 0.00 4.00 3.86 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 0.00 0.00 0.00 42 P 0.00 4.45 0.00 2.16 2.03 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 43 V 7.89 4.56 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 0.90 0.00 0.00 1.00 0.00 0.00 44 T 8.29 4.05 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 1.17 0.00 0.00 45 L 8.17 4.64 0.00 1.62 1.67 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.79 4.68 0.00 2.77 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 47 L 8.19 4.42 0.00 1.55 1.32 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.89 4.43 0.00 1.79 2.03 0.00 3.16 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 49 Y 8.50 3.99 0.00 3.08 3.17 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 0.00 0.00 0.00 0.00 50 N 8.27 5.15 0.00 3.00 3.16 0.00 0.00 5.66 7.66 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 51 R 7.71 5.03 0.00 1.92 1.92 0.00 3.04 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.86 0.00 52 V 8.68 4.22 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 0.32 0.00 0.00 0.31 0.00 0.00 53 R 8.39 4.48 0.00 1.55 1.14 0.00 3.21 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 54 V 8.47 3.94 1.06 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 1.10 0.00 0.00 0.20 0.00 0.00 55 F 8.99 5.94 0.00 3.08 2.99 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 56 Y 8.10 5.25 0.00 3.31 3.17 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 0.00 0.00 0.00 0.00 57 N 9.30 4.77 0.00 2.84 2.85 0.00 0.00 7.54 8.26 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 58 P 0.00 4.55 0.00 2.10 2.10 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 59 G 8.20 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.65 4.48 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 61 N 8.46 4.28 0.00 2.90 2.76 0.00 0.00 6.65 7.17 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 62 V 7.62 4.80 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 63 V 8.70 4.21 2.21 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 1.01 0.00 0.00 1.15 0.00 0.00 64 N 8.78 4.88 0.00 2.78 3.02 0.00 0.00 5.95 7.90 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 65 H 7.83 4.94 0.00 3.27 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.54 3.89 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 0.87 0.00 0.00 0.98 0.00 0.00 67 P 0.00 4.86 0.00 2.20 2.10 0.00 4.11 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 68 H 8.14 5.55 0.00 3.23 3.30 0.00 5.73 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 69 V 8.98 3.81 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 0.41 0.00 0.00 0.99 0.00 0.00 70 G 8.60 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 0.00 0.00 0.00