NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4229 8.0976 119.7075 55.7004 32.2646 174.4614 2 T 4.4059 7.5066 108.2815 61.6025 70.4792 172.3695 3 C 4.9504 9.7118 118.1981 57.0376 41.1487 174.4923 4 L 4.8775 7.5782 119.8111 53.4988 43.7261 175.9275 5 I 4.8215 7.7091 125.8806 57.9402 38.0744 174.1785 6 S 4.9052 7.4137 127.0002 58.6152 65.5327 176.2325 7 P 4.2739 0.0000 0.0000 64.1616 30.0570 176.5478 8 S 4.2884 8.8238 114.2792 57.3917 65.0866 174.6976 9 S 3.7070 7.9555 116.4952 60.3326 59.7681 172.3356 10 T 4.7148 7.3496 105.6864 60.1544 69.1101 173.2914 11 P 4.5460 0.0000 0.0000 64.2791 32.6856 176.7673 12 Q 4.5414 8.2609 116.4058 57.6029 31.9680 174.1849 13 T 4.6863 7.6242 117.0329 65.4763 70.1707 173.3328 14 C 6.3000 8.4303 122.0597 56.1096 42.3926 172.7515 15 P 4.4053 0.0000 0.0000 63.7552 31.7078 176.8875 16 N 4.5540 8.8040 120.1899 54.7217 38.4808 175.1257 17 G 4.0693 7.2358 105.5515 45.3803 0.0000 172.1227 18 Q 4.4486 7.5943 120.6324 53.4600 30.7458 175.6200 19 D 4.6354 8.4681 121.1398 54.2911 41.3104 176.3594 20 I 4.5399 8.0955 124.7199 59.8943 40.1959 175.6787 21 C 4.7756 8.9261 127.6578 56.2646 43.6073 171.9912 22 F 5.2091 8.7552 125.4242 56.9688 42.8394 172.5055 23 L 4.7920 7.7990 127.6624 52.8078 45.4306 174.7384 24 K 4.3890 9.8955 126.4847 54.5483 34.9125 174.5161 25 A 5.1967 8.7004 129.9321 49.6431 20.8906 174.4431 26 Q 4.8059 7.9599 118.4581 55.8548 32.4437 172.6806 27 C 4.5939 8.5389 113.9351 55.1214 42.4449 172.4592 28 D 4.5770 8.1030 121.2027 52.8766 42.8475 171.3991 29 K 3.1464 9.1494 133.5954 56.6331 32.1372 175.1876 30 F 4.4727 8.4783 126.8375 58.0491 37.5882 176.9948 31 C 4.4107 8.2359 113.0092 57.5415 37.7189 174.3599 32 S 4.6689 7.8041 110.0548 59.7224 65.4504 175.5977 33 I 4.5484 8.0142 121.5222 60.9728 39.4317 176.1782 34 R 4.4474 8.2310 113.0436 54.8508 31.0147 176.3906 35 G 3.8080 8.1066 106.1931 43.7366 0.0000 170.9998 36 P 4.3583 0.0000 0.0000 62.7118 32.0494 175.3856 37 V 4.5365 8.4084 120.0921 61.0946 35.2933 173.6918 38 I 4.7630 8.1760 123.1972 59.1361 39.7678 174.0499 39 E 4.9230 9.4546 129.6215 54.7298 33.4269 173.7461 40 Q 4.6665 9.2210 122.3886 53.5962 32.2332 175.8020 41 G 4.2226 7.4932 107.2981 45.7307 0.0000 169.9679 42 C 5.1612 8.2620 119.0666 53.6909 44.7184 173.2308 43 V 4.2141 7.8439 119.0497 60.9639 34.9934 174.1130 44 A 3.8812 8.5692 124.1774 54.1657 17.4161 178.0557 45 T 4.5558 8.1523 111.2042 59.8613 72.2929 174.6276 46 C 4.2880 8.9069 125.8083 56.1760 43.7926 171.6978 47 P 4.6096 0.0000 0.0000 62.2498 32.0843 177.0924 48 Q 4.3131 8.5177 117.3210 58.7467 27.1914 175.9577 49 F 2.7865 8.0536 115.1388 61.2702 39.5440 175.1110 50 R 4.3198 7.5117 116.7904 56.7400 32.3142 175.8927 51 S 4.6767 8.9658 118.0801 58.9394 62.9008 173.6489 52 N 5.0299 8.0823 118.3084 53.9949 39.1367 173.5867 53 Y 4.6748 8.0536 115.6371 55.9790 40.5072 174.4335 54 R 4.5611 8.8748 118.5228 55.8544 32.2261 176.4977 55 S 5.4874 7.2417 119.2161 58.5336 65.6581 175.1458 56 L 4.8488 8.5503 129.4959 52.0604 44.3628 175.1458 57 L 4.7599 8.3761 127.6656 53.7010 44.2766 174.9493 58 C 5.2959 9.2143 126.4131 55.2043 40.1723 173.6242 59 C 4.6015 8.7719 123.2928 55.1798 46.1134 174.5757 60 T 3.7782 8.3312 105.9501 62.0881 67.3610 171.1449 61 T 4.7116 7.5824 109.0452 61.1546 71.8606 172.1401 62 D 4.8247 8.3985 121.0772 53.6011 43.2540 175.1995 63 N 4.9511 8.9235 118.5943 54.3301 35.9108 173.5888 64 C 5.0448 8.2149 106.7729 54.8309 42.6800 172.9808 65 N 5.1840 7.7908 116.6907 52.9686 41.6864 173.4798 66 H 4.2528 8.2997 121.7344 56.8448 30.2681 173.2834 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 R 8.10 4.42 0.00 1.86 2.01 0.00 3.27 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 2 T 7.51 4.41 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 1.25 0.00 0.00 3 C 9.71 4.95 0.00 2.98 3.11 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 0.00 4 L 7.58 4.88 0.00 1.76 1.57 0.95 0.80 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 5 I 7.71 4.82 1.87 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 1.30 0.52 0.91 0.00 0.00 6 S 7.41 4.91 0.00 3.82 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 7 P 0.00 4.27 0.00 1.99 1.92 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 8 S 8.82 4.29 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 3.71 0.00 4.02 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 10 T 7.35 4.71 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 11 P 0.00 4.55 0.00 2.20 2.20 0.00 3.88 0.00 0.00 3.63 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 12 Q 8.26 4.54 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 T 7.62 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 1.32 0.00 0.00 14 C 8.43 6.30 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.23 2.14 0.00 3.82 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 2.00 0.00 16 N 8.80 4.55 0.00 2.72 2.90 0.00 0.00 6.81 7.64 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 17 G 7.24 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.59 4.45 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 19 D 8.47 4.64 0.00 2.56 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 4.54 1.90 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 1.27 0.56 0.98 0.00 0.00 21 C 8.93 4.78 0.00 3.06 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 22 F 8.76 5.21 0.00 3.11 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 23 L 7.80 4.79 0.00 1.59 1.32 0.88 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.90 4.39 0.00 1.90 1.77 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.52 7.81 25 A 8.70 5.20 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 26 Q 7.96 4.81 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 27 C 8.54 4.59 0.00 3.07 3.08 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 0.00 0.00 0.00 28 D 8.10 4.58 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.15 3.15 0.00 1.56 0.79 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.37 0.83 7.81 30 F 8.48 4.47 0.00 3.31 3.11 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 0.00 31 C 8.24 4.41 0.00 3.08 3.12 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 0.00 0.00 0.00 0.00 32 S 7.80 4.67 0.00 3.94 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 33 I 8.01 4.55 1.96 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.84 0.00 0.00 34 R 8.23 4.45 0.00 1.91 2.07 0.00 3.29 0.00 0.00 3.71 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 35 G 8.11 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 36 P 0.00 4.36 0.00 2.18 2.05 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 V 8.41 4.54 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 1.01 0.00 0.00 0.92 0.00 0.00 38 I 8.18 4.76 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.04 0.90 0.00 0.00 39 E 9.45 4.92 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 40 Q 9.22 4.67 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 41 G 7.49 4.22 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 0.00 42 C 8.26 5.16 0.00 3.04 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 43 V 7.84 4.21 1.61 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 0.46 0.00 0.00 0.28 0.00 0.00 44 A 8.57 3.88 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 45 T 8.15 4.56 4.23 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 0.00 0.00 0.00 1.22 0.00 0.00 46 C 8.91 4.29 0.00 3.05 3.16 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 47 P 0.00 4.61 0.00 2.21 2.04 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 48 Q 8.52 4.31 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 5.96 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 49 F 8.05 2.79 0.00 2.99 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 50 R 7.51 4.32 0.00 1.48 1.17 0.00 3.26 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 51 S 8.97 4.68 0.00 4.06 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 52 N 8.08 5.03 0.00 2.69 2.97 0.00 0.00 7.01 7.86 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 53 Y 8.05 4.67 0.00 2.88 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 54 R 8.87 4.56 0.00 1.77 1.89 0.00 3.44 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 55 S 7.24 5.49 0.00 4.01 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 56 L 8.55 4.85 0.00 1.37 1.21 0.57 0.58 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 57 L 8.38 4.76 0.00 1.73 1.46 0.93 0.83 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 58 C 9.21 5.30 0.00 3.62 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 59 C 8.77 4.60 0.00 3.08 3.05 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 60 T 8.33 3.78 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 1.28 0.00 0.00 61 T 7.58 4.71 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 1.31 0.00 0.00 62 D 8.40 4.82 0.00 2.67 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 63 N 8.92 4.95 0.00 2.90 2.87 0.00 0.00 7.16 7.67 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 64 C 8.21 5.04 0.00 3.04 3.12 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 0.00 0.00 0.00 0.00 65 N 7.79 5.18 0.00 2.66 2.68 0.00 0.00 6.91 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 66 H 8.30 4.25 0.00 3.00 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00