NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8604 8.3544 109.7309 45.9645 0.0000 171.5155 2 S 4.1285 8.0052 112.9565 57.0474 65.3661 172.1999 3 H 4.7239 8.5208 118.1635 54.4276 31.6481 173.4389 4 M 4.7069 8.4370 125.1155 55.0747 32.6574 173.8522 5 A 4.6804 9.1091 128.5841 52.0732 20.4889 175.9673 6 E 4.3807 8.1052 118.0393 56.0117 30.6038 174.6343 7 P 4.4827 0.0000 0.0000 63.1259 31.4027 175.2410 8 Q 3.5290 8.3022 115.9557 56.2124 27.6181 173.4818 9 R 4.2730 7.5261 124.8766 57.0741 28.9736 174.3670 10 H 4.9784 9.3768 120.1066 53.5231 32.8225 172.6869 11 K 4.6318 8.8243 122.7674 55.1733 32.5748 175.5600 12 I 4.2090 8.6005 127.3856 59.4555 37.7932 174.4104 13 L 4.6735 8.1829 127.9432 55.3788 41.3894 175.6469 14 C 5.1071 8.9167 126.7846 58.2675 35.0186 172.5106 15 V 5.0430 8.3024 109.0370 59.5149 36.0247 175.0408 16 C 4.4878 9.3479 123.3882 59.8088 31.6709 174.0337 17 C 4.2249 9.4612 128.7653 61.1272 31.2717 173.9970 18 K 4.6091 8.0450 115.4918 56.8682 33.8170 176.0888 19 C 4.7492 7.8048 112.2289 56.8965 30.6071 173.8257 20 D 4.5776 8.6710 118.3192 55.1550 40.2559 173.3510 21 G 3.9472 7.4778 104.2875 45.4370 0.0000 173.5942 22 R 4.5136 8.5999 123.6049 56.3175 30.9626 175.9627 23 I 4.2783 8.5930 128.5926 59.4370 38.6784 174.6825 24 E 4.2099 8.6773 128.7063 55.9166 29.2346 176.5254 25 L 4.3217 8.6257 128.3364 54.5479 40.2294 174.6786 26 T 4.3952 8.1391 116.5516 63.7822 68.8384 173.5008 27 V 4.4546 8.9190 120.1307 59.4698 36.0108 175.0219 28 E 4.8429 8.7188 120.6896 54.6737 30.5001 175.2022 29 S 4.7198 9.1142 119.9999 56.2272 67.1823 174.4865 30 S 4.4256 9.0368 119.2193 57.5923 63.6966 174.9446 31 A 4.0136 8.7837 123.7209 55.8016 17.8519 179.8011 32 E 3.9767 8.0978 117.0045 59.0786 29.8220 178.3292 33 D 4.2928 8.0077 117.8619 57.1548 41.4244 177.6412 34 L 3.9347 8.3772 121.3008 58.1184 42.0458 178.9212 35 R 3.8488 8.3633 118.8430 59.7575 30.1181 178.5001 36 T 3.8882 8.2449 116.0424 66.7013 68.4667 176.7185 37 L 4.1552 8.5095 121.8567 58.5255 40.3803 178.8978 38 Q 3.9467 8.1605 120.7755 59.4425 28.9131 178.5373 39 Q 4.0670 8.1501 118.8271 58.8427 28.6326 178.8347 40 L 3.9779 8.0414 119.9335 58.0468 41.5197 179.7177 41 F 4.5689 8.4007 117.8621 59.8714 38.8338 177.2517 42 L 4.1509 8.3580 119.9571 58.5021 41.9396 178.4423 43 S 4.2866 8.3041 113.3641 60.3044 62.4389 173.9204 44 T 4.6777 8.3649 109.6197 62.5947 75.4348 174.5423 45 L 3.9261 7.6030 123.2324 55.2420 42.6370 175.1639 46 S 4.8713 7.7638 118.2436 58.0802 67.4099 172.9444 47 F 5.3004 8.9914 118.9390 56.0057 42.9956 174.5406 48 V 4.9745 8.1249 111.7258 59.6588 35.3185 176.0494 49 C 4.5354 8.7370 118.1984 57.0991 30.7906 172.9605 50 P 4.4404 0.0000 0.0000 65.5852 30.7740 178.2632 51 W 4.2104 8.3347 128.0150 60.8071 30.6976 177.3830 52 C 3.4612 8.1802 115.6181 62.6738 27.4425 175.9244 53 A 4.1068 8.1710 121.4772 55.4076 17.9259 179.4603 54 T 4.0099 7.6175 113.5543 66.2922 68.6661 176.7670 55 N 4.2780 7.6467 117.5557 56.1324 38.8781 175.0179 56 Q 4.2416 7.7030 124.5274 55.6188 31.3911 172.4971 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 G 8.35 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 0.00 0.00 0.00 2 S 8.01 4.13 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.52 4.72 0.00 3.11 3.16 0.00 5.96 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.44 4.71 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 5 A 9.11 4.68 1.22 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 0.00 0.00 6 E 8.11 4.38 0.00 1.95 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 2.29 2.35 0.00 7 P 0.00 4.48 0.00 2.18 2.10 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 8 Q 8.30 3.53 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 R 7.53 4.27 0.00 1.71 1.87 0.00 3.27 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 10 H 9.38 4.98 0.00 3.01 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.82 4.63 0.00 1.59 1.88 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 12 I 8.60 4.21 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.71 0.00 0.00 13 L 8.18 4.67 0.00 1.72 1.63 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.92 5.11 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 5.04 2.14 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 0.80 0.00 0.00 1.04 0.00 0.00 16 C 9.35 4.49 0.00 3.11 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 17 C 9.46 4.22 0.00 3.12 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 18 K 8.04 4.61 0.00 1.86 1.87 0.00 1.51 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.38 7.81 19 C 7.80 4.75 0.00 3.30 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.58 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.48 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 0.00 0.00 0.00 22 R 8.60 4.51 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 23 I 8.59 4.28 1.95 0.00 0.00 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 1.22 0.86 1.03 0.00 0.00 24 E 8.68 4.21 0.00 1.97 1.91 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 2.28 2.32 0.00 25 L 8.63 4.32 0.00 1.55 1.49 0.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.14 4.40 4.25 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 1.21 0.00 0.00 27 V 8.92 4.45 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 0.87 0.00 0.00 0.99 0.00 0.00 28 E 8.72 4.84 0.00 1.79 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 2.23 2.27 0.00 29 S 9.11 4.72 0.00 3.69 3.74 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 30 S 9.04 4.43 0.00 3.90 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 31 A 8.78 4.01 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 32 E 8.10 3.98 0.00 2.06 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 2.38 2.36 0.00 33 D 8.01 4.29 0.00 2.84 2.80 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 34 L 8.38 3.93 0.00 1.74 1.89 0.86 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 35 R 8.36 3.85 0.00 2.00 2.09 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 36 T 8.24 3.89 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 37 L 8.51 4.16 0.00 2.01 2.00 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.16 3.95 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 39 Q 8.15 4.07 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 40 L 8.04 3.98 0.00 1.92 1.66 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.40 4.57 0.00 2.97 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 42 L 8.36 4.15 0.00 1.71 1.96 0.93 0.96 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 43 S 8.30 4.29 0.00 3.94 4.03 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 44 T 8.36 4.68 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 1.20 0.00 0.00 45 L 7.60 3.93 0.00 1.50 1.19 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.76 4.87 0.00 3.78 3.83 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 0.00 0.00 0.00 47 F 8.99 5.30 0.00 3.12 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 48 V 8.12 4.97 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 0.85 0.00 0.00 0.87 0.00 0.00 49 C 8.74 4.54 0.00 3.24 3.18 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 0.00 0.00 0.00 0.00 50 P 0.00 4.44 0.00 2.34 2.39 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 51 W 8.33 4.21 0.00 3.42 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 52 C 8.18 3.46 0.00 3.11 2.82 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 53 A 8.17 4.11 1.30 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 0.00 0.00 0.00 54 T 7.62 4.01 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 1.19 0.00 0.00 55 N 7.65 4.28 0.00 2.05 2.49 0.00 0.00 6.69 6.76 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 56 Q 7.70 4.24 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.51 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00