NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.2742 8.2616 121.1853 56.1397 34.2027 176.2310 3 L 4.0718 7.6026 120.2658 57.8987 42.5225 176.6778 4 S 4.1779 8.0788 114.6543 61.8904 63.7079 176.2280 5 E 4.1125 8.1560 119.1227 58.8422 29.3029 179.1743 6 V 3.6332 8.2700 120.2576 65.9346 31.4020 177.6667 7 R 3.9141 7.5563 116.6356 59.7312 30.0773 179.0308 8 K 4.1022 7.9763 116.5010 58.8016 31.2454 179.2869 9 Q 4.0390 8.1410 118.8602 58.1509 28.5464 177.4742 10 L 4.2910 8.3327 120.7836 56.2070 41.9223 178.4893 11 E 3.9961 7.7271 118.9076 59.7445 29.4266 178.5770 12 E 3.9502 8.0402 116.7895 59.4170 29.8710 179.0715 13 A 4.2521 7.4322 120.8367 54.7467 18.7608 179.3406 14 R 4.2074 8.5036 114.9343 57.4054 30.1989 177.3488 15 K 4.5344 7.4236 115.9829 56.4315 33.4445 177.3594 16 L 4.1454 8.1170 121.4911 55.2885 40.2081 176.9246 17 S 3.5043 7.2582 115.3069 54.8485 66.4109 171.7769 18 P 4.0995 0.0000 0.0000 65.8649 30.6932 178.0163 19 V 3.7847 8.5509 117.4053 65.6522 31.9166 176.5125 20 E 3.8954 7.8514 117.3885 59.3032 29.4251 178.2518 21 L 3.8196 7.7348 119.6298 58.6898 42.2320 178.9108 22 E 3.4423 7.8500 117.3629 58.8120 29.1517 178.5073 23 K 4.4259 8.3758 116.5190 56.4288 32.8744 177.9308 24 L 4.1503 8.5544 123.2304 57.8639 42.2051 178.7507 25 V 3.5295 7.5934 117.5827 66.0798 31.5212 177.6041 26 R 3.8742 7.2790 115.7946 59.8845 29.7524 176.3518 27 E 4.1639 8.9179 117.8718 55.9789 29.5765 180.0756 28 K 4.7165 8.6385 118.7855 58.7334 33.1029 178.3051 29 K 3.8835 8.3496 118.0476 59.9412 31.9467 178.7192 30 R 3.9076 10.6400 118.3905 59.2584 29.7164 177.5412 31 E 4.5608 8.6907 117.1918 57.1755 30.4398 177.8993 32 L 3.9886 7.8646 119.5800 57.0613 42.4980 177.8152 33 M 4.1327 10.6147 117.5536 57.1303 30.7986 179.0207 34 E 2.9470 6.0144 115.4307 55.7124 33.2328 178.0899 35 L 3.9080 8.8245 119.6624 58.0823 42.6576 179.3064 36 R 4.2853 8.7597 113.1252 57.3411 29.6528 177.5504 37 F 4.3971 9.1535 120.0083 60.0298 39.8069 177.7471 38 Q 3.9825 8.3622 116.8704 58.9049 28.6693 178.4099 39 A 4.3462 7.6847 118.6183 53.7107 18.9567 178.0422 40 S 4.5411 8.0778 110.9713 58.9256 63.9473 175.2692 41 I 4.4715 7.0614 114.5804 61.0380 36.7998 177.1830 42 G 3.9328 8.6441 106.0120 45.8814 0.0000 172.0175 43 Q 4.3850 7.6357 116.7095 55.5693 32.7211 174.0089 44 L 3.9895 8.7376 119.3282 54.8994 40.7181 173.8591 45 S 4.4000 7.5912 111.9927 58.7431 63.7049 174.1774 46 Q 4.5308 8.7925 116.9626 55.9473 30.6974 175.6216 47 N 3.3501 8.1475 114.8959 53.5449 40.2957 178.3609 48 H 4.3772 8.3032 116.8616 58.3073 30.7633 178.0522 49 K 4.0217 7.2166 120.6294 58.5096 31.3634 179.0285 50 I 3.8709 8.8585 122.3180 63.9745 37.0487 178.3638 51 R 4.0596 7.7947 116.0569 59.6976 29.4124 178.2555 52 D 4.5607 8.0367 119.7461 56.7194 40.7187 178.8494 53 L 4.0120 7.4720 120.0717 57.5588 41.8832 178.0732 54 K 3.8144 8.8575 120.5091 60.2156 32.1461 178.6574 55 R 4.0256 8.6716 118.1914 58.9548 30.1622 178.9033 56 Q 3.9457 7.7582 118.1292 59.2662 28.7344 179.9915 57 I 3.8001 8.1366 120.1357 65.5532 37.3445 177.9178 58 A 3.6131 7.7799 117.4061 54.6246 18.2810 179.4198 59 R 3.8340 8.2827 112.3134 59.2130 29.5214 178.7589 60 L 3.9688 7.2255 117.8293 57.2530 41.9832 179.4727 61 L 4.1057 8.5798 118.7293 58.4259 41.6732 179.6638 62 T 3.8686 7.8887 115.5801 66.9384 68.2814 176.1130 63 V 3.7816 7.8173 121.2151 65.4307 31.4264 177.6622 64 L 3.9833 7.8196 119.5098 57.8053 42.0984 178.6697 65 N 4.5356 7.8650 116.3312 55.9992 38.9349 176.7227 66 E 3.9379 8.0575 119.1122 59.7624 29.1238 179.5903 67 K 4.0974 7.9755 118.9996 58.7509 32.0097 180.5650 68 R 4.2199 7.6529 116.6427 56.5480 29.3665 176.6490 69 R 4.7335 9.9107 111.7231 54.2719 31.8430 175.8339 70 Q 5.1551 7.2544 127.0094 56.6177 28.6832 173.1208 71 N 4.7735 7.5338 114.8597 50.9833 39.5352 173.9643 72 A 4.1001 8.1536 124.4124 52.7863 19.1036 176.2469 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 2 K 8.26 5.27 0.00 1.72 1.90 0.00 1.68 0.00 0.00 2.40 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.47 7.81 3 L 7.60 4.07 0.00 1.80 1.61 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.08 4.18 0.00 3.90 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 5 E 8.16 4.11 0.00 2.39 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 0.00 2.35 2.49 0.00 6 V 8.27 3.63 2.24 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 1.08 0.00 0.00 0.99 0.00 0.00 7 R 7.56 3.91 0.00 1.93 1.99 0.00 3.18 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 8 K 7.98 4.10 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 9 Q 8.14 4.04 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.33 4.29 0.00 1.85 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.73 4.00 0.00 2.18 1.97 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 2.33 2.56 0.00 12 E 8.04 3.95 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 2.35 2.47 0.00 13 A 7.43 4.25 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 14 R 8.50 4.21 0.00 1.94 2.00 0.00 3.11 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 15 K 7.42 4.53 0.00 1.83 1.86 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.42 7.81 16 L 8.12 4.15 0.00 1.86 1.67 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.26 3.50 0.00 4.06 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 18 P 0.00 4.10 0.00 2.23 2.30 0.00 3.74 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 2.08 1.98 0.00 19 V 8.55 3.78 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 7.85 3.90 0.00 2.17 2.10 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 2.31 2.37 0.00 21 L 7.73 3.82 0.00 2.06 1.68 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.85 3.44 0.00 2.34 2.00 0.00 0.00 0.00 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 2.37 0.00 23 K 8.38 4.43 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 24 L 8.55 4.15 0.00 1.63 1.81 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.59 3.53 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 1.06 0.00 0.00 0.97 0.00 0.00 26 R 7.28 3.87 0.00 2.15 1.98 0.00 3.30 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 E 8.92 4.16 0.00 2.29 1.79 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 2.34 2.53 0.00 28 K 8.64 4.72 0.00 2.00 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.62 7.81 29 K 8.35 3.88 0.00 1.77 1.93 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.65 7.81 30 R 10.64 3.91 0.00 1.88 1.98 0.00 3.04 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 31 E 8.69 4.56 0.00 1.96 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 2.23 2.42 0.00 32 L 7.86 3.99 0.00 1.65 1.89 0.93 0.91 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 33 M 10.61 4.13 0.00 2.35 1.93 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.61 0.00 34 E 6.01 2.95 0.00 2.34 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 0.00 2.24 2.28 0.00 35 L 8.82 3.91 0.00 1.72 2.03 0.95 0.85 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 36 R 8.76 4.29 0.00 1.88 2.02 0.00 2.97 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.39 0.00 37 F 9.15 4.40 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 38 Q 8.36 3.98 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 39 A 7.68 4.35 1.27 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 0.00 0.00 40 S 8.08 4.54 0.00 3.95 3.88 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 0.00 0.00 0.00 41 I 7.06 4.47 1.89 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 1.54 0.76 1.04 0.00 0.00 42 G 8.64 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 0.00 0.00 0.00 43 Q 7.64 4.39 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.59 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 44 L 8.74 3.99 0.00 1.75 2.04 0.98 0.94 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 45 S 7.59 4.40 0.00 4.03 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 46 Q 8.79 4.53 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 47 N 8.15 3.35 0.00 2.84 2.63 0.00 0.00 6.80 8.16 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 48 H 8.30 4.38 0.00 3.48 3.47 0.00 5.46 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.22 4.02 0.00 1.48 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.54 7.81 50 I 8.86 3.87 1.98 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 1.58 0.72 0.91 0.00 0.00 51 R 7.79 4.06 0.00 2.04 2.19 0.00 3.01 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 52 D 8.04 4.56 0.00 2.95 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 53 L 7.47 4.01 0.00 2.01 1.80 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.86 3.81 0.00 1.78 1.99 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 55 R 8.67 4.03 0.00 1.85 1.96 0.00 3.22 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 56 Q 7.76 3.95 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 57 I 8.14 3.80 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.82 0.92 0.00 0.00 58 A 7.78 3.61 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 59 R 8.28 3.83 0.00 2.08 2.25 0.00 2.80 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 1.89 1.87 0.00 60 L 7.23 3.97 0.00 1.97 1.76 0.92 1.01 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 61 L 8.58 4.11 0.00 1.75 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.89 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 63 V 7.82 3.78 2.31 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 1.16 0.00 0.00 1.01 0.00 0.00 64 L 7.82 3.98 0.00 1.69 1.78 0.93 0.89 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 65 N 7.86 4.54 0.00 3.02 2.83 0.00 0.00 6.52 8.95 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 66 E 8.06 3.94 0.00 2.20 2.25 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 2.58 2.34 0.00 67 K 7.98 4.10 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.44 7.81 68 R 7.65 4.22 0.00 2.05 1.98 0.00 3.39 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 69 R 9.91 4.73 0.00 2.00 1.84 0.00 3.32 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 70 Q 7.25 5.16 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 7.05 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 71 N 7.53 4.77 0.00 2.68 2.77 0.00 0.00 6.73 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.15 4.10 1.18 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 0.00 0.00