NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2940 8.4293 121.4699 55.5598 31.5467 174.7570 13 L 4.6854 7.6010 116.6577 53.1906 43.7501 169.9693 14 V 4.2492 8.1873 117.8671 60.8966 35.1249 175.5394 15 D 4.5756 8.5777 126.7835 52.5325 40.7908 174.6294 16 P 4.2537 0.0000 0.0000 65.7952 30.7433 177.9760 17 L 3.8917 8.0225 120.1751 58.3129 41.8585 178.7816 18 T 3.8585 7.7169 108.2800 65.2823 68.8708 175.8600 19 T 4.2568 7.8690 119.4996 65.9578 68.6894 176.3960 20 I 3.9090 7.8755 120.9517 63.9636 37.1013 178.7183 21 R 4.0441 7.9278 119.5075 58.7762 29.8503 178.7228 22 E 4.1050 8.1384 118.6067 59.8015 29.5089 178.7483 23 H 4.3172 8.2273 117.6859 59.6633 29.8841 177.8279 24 C 4.2448 8.1721 118.0107 59.6993 39.8570 175.3127 25 E 4.0922 8.1423 118.0185 58.1119 29.0478 178.2240 26 Q 4.2802 7.5980 117.6581 56.8335 29.7825 176.2831 27 T 3.9166 7.3958 116.8989 63.7170 69.5771 173.8738 28 E 3.9075 8.9781 124.1852 60.1098 29.4439 179.7662 29 K 4.0465 7.9658 117.4437 59.5299 32.0824 179.1144 30 C 4.3208 8.0594 116.6270 62.8133 28.1726 176.1538 31 V 3.7623 7.9920 119.7602 66.0841 30.8651 178.2168 32 K 4.1151 8.1968 117.0329 58.3194 31.8018 178.6785 33 A 4.2743 7.8688 121.1311 54.0987 19.7493 179.1477 34 R 3.4784 8.9855 118.3843 59.1841 30.0378 178.5143 35 E 3.8493 8.2833 119.3011 59.3394 29.6588 178.8718 36 R 3.9349 7.4694 117.8869 59.1008 30.0491 178.9236 37 L 3.8713 7.8621 120.0090 58.3049 42.2648 178.6394 38 E 3.9008 7.9568 118.4174 59.4919 29.3263 179.6096 39 L 3.9341 7.7316 118.2795 57.8709 41.6703 178.5082 40 C 4.1471 7.9088 117.9384 59.8194 44.0793 174.7192 41 D 4.2730 8.1731 119.3267 57.5878 40.6746 178.5345 42 A 3.9636 7.8244 120.5297 55.2567 18.3506 179.8544 43 R 4.0748 7.7653 115.5393 58.6682 29.4471 179.2017 44 V 3.5593 7.9611 118.6557 65.6579 31.5884 177.9427 45 S 4.2743 8.0677 114.4385 61.6321 62.9001 176.5817 46 S 4.4023 8.0303 116.7610 60.4157 62.6709 173.6310 47 R 3.9554 7.7846 127.5017 55.9281 29.7592 175.8630 48 S 4.3295 8.4979 121.9856 59.1462 64.3108 173.5549 49 H 3.7540 8.7146 123.2003 57.0159 26.8063 172.4208 50 T 4.5555 7.2413 114.7662 60.9507 69.9699 173.1683 51 E 4.5126 8.3891 118.1148 55.9291 31.8349 174.6292 52 E 4.5315 7.7946 118.2638 55.8855 31.4388 174.5104 53 Q 4.6239 7.9709 117.8443 54.1259 32.7438 175.7087 54 C 5.3078 8.3595 119.1221 57.1054 40.8386 176.8725 55 T 3.4342 7.8122 117.8765 66.2467 68.1552 175.2858 56 E 3.8140 7.8066 120.4338 59.7070 29.8555 179.1393 57 E 4.2081 8.0139 119.0494 58.7353 29.5477 178.7875 58 L 4.0642 7.8535 120.3579 58.2977 41.9732 179.0887 59 F 4.5826 8.4441 117.8197 60.9117 38.9984 177.0190 60 D 4.6367 8.3280 118.5257 57.9735 40.5626 178.7098 61 F 4.3889 8.4779 120.6870 61.1714 39.3941 176.6981 62 L 3.7461 8.5028 118.3580 58.1761 41.6547 179.0758 63 H 3.9344 9.1561 118.7005 59.3120 29.7933 177.0682 64 A 3.9553 8.0201 122.1606 55.8326 18.2193 178.7970 65 R 3.5891 8.5445 118.2453 59.5764 29.8625 177.8575 66 D 4.3101 8.7424 118.3529 57.8421 40.9068 178.7647 67 H 4.0138 7.9665 117.4818 59.4353 30.2439 175.8994 68 C 4.3535 8.0705 120.0074 59.8714 43.6033 175.4588 69 V 3.5406 7.9752 119.5512 66.3634 30.5578 177.8125 70 A 4.0413 8.1529 119.9759 55.5269 17.9261 179.1698 71 H 3.9195 8.1566 113.7812 57.9917 28.9692 176.4375 72 K 4.6236 7.8394 116.6969 56.2833 34.8956 177.9348 73 L 3.9726 8.4295 122.3493 58.3889 42.0426 178.9849 74 F 4.1508 8.4074 115.8996 59.6987 39.3044 177.2027 75 N 4.5272 8.5061 118.6315 55.9904 38.3577 176.3730 76 K 4.1740 7.5228 114.4352 57.3279 32.5648 177.0232 77 L 4.3586 6.9838 117.6371 53.4997 42.9067 176.6734 78 K 4.1267 8.2192 119.7434 56.6671 32.3279 175.5939 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 12 E 8.43 4.29 0.00 1.94 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 2.19 2.30 0.00 13 L 7.60 4.69 0.00 1.79 1.57 0.91 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.19 4.25 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 0.83 0.00 0.00 0.93 0.00 0.00 15 D 8.58 4.58 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.27 2.31 0.00 3.72 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 2.03 2.01 0.00 17 L 8.02 3.89 0.00 1.80 1.98 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.72 3.86 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 19 T 7.87 4.26 4.41 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 1.22 0.00 0.00 20 I 7.88 3.91 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.96 0.00 0.00 21 R 7.93 4.04 0.00 2.10 2.00 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 22 E 8.14 4.11 0.00 2.25 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 0.00 2.36 2.63 0.00 23 H 8.23 4.32 0.00 3.24 3.34 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.17 4.24 0.00 3.11 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 25 E 8.14 4.09 0.00 2.23 2.17 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 2.71 2.66 0.00 26 Q 7.60 4.28 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 27 T 7.40 3.92 4.35 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 0.00 0.00 0.00 1.21 0.00 0.00 28 E 8.98 3.91 0.00 2.07 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 2.39 2.50 0.00 29 K 7.97 4.05 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.52 7.81 30 C 8.06 4.32 0.00 3.19 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 31 V 7.99 3.76 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 1.05 0.00 0.00 1.13 0.00 0.00 32 K 8.20 4.12 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.66 7.81 33 A 7.87 4.27 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.99 3.48 0.00 1.45 2.15 0.00 3.07 0.00 0.00 2.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 35 E 8.28 3.85 0.00 2.21 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 2.29 2.33 0.00 36 R 7.47 3.93 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 37 L 7.86 3.87 0.00 1.73 1.70 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.96 3.90 0.00 2.12 1.95 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 2.58 2.44 0.00 39 L 7.73 3.93 0.00 1.87 1.69 0.91 0.91 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 40 C 7.91 4.15 0.00 2.94 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.27 0.00 2.79 2.81 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 42 A 7.82 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.07 0.00 2.04 2.18 0.00 3.04 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 44 V 7.96 3.56 2.06 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 0.83 0.00 0.00 0.94 0.00 0.00 45 S 8.07 4.27 0.00 4.03 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 46 S 8.03 4.40 0.00 4.06 4.11 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 47 R 7.78 3.96 0.00 1.78 2.06 0.00 3.30 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 48 S 8.50 4.33 0.00 3.91 3.79 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 49 H 8.71 3.75 0.00 3.24 3.39 0.00 5.91 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.24 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 1.19 0.00 0.00 51 E 8.39 4.51 0.00 1.86 1.83 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 2.17 2.33 0.00 52 E 7.79 4.53 0.00 1.98 1.82 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 2.22 2.24 0.00 53 Q 7.97 4.62 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.39 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 54 C 8.36 5.31 0.00 2.90 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 55 T 7.81 3.43 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 0.34 0.00 0.00 56 E 7.81 3.81 0.00 2.00 1.92 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 2.40 2.48 0.00 57 E 8.01 4.21 0.00 2.07 1.99 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 2.39 2.29 0.00 58 L 7.85 4.06 0.00 1.85 1.82 1.11 0.99 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 59 F 8.44 4.58 0.00 3.27 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 60 D 8.33 4.64 0.00 2.99 2.83 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 61 F 8.48 4.39 0.00 3.14 3.33 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 62 L 8.50 3.75 0.00 1.96 1.87 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.16 3.93 0.00 3.19 3.47 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.02 3.96 1.38 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 0.00 0.00 65 R 8.54 3.59 0.00 0.80 1.47 0.00 3.09 0.00 0.00 2.76 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 66 D 8.74 4.31 0.00 2.77 2.67 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 67 H 7.97 4.01 0.00 3.31 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.07 4.35 0.00 3.12 3.35 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 0.00 0.00 0.00 0.00 69 V 7.98 3.54 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 1.06 0.00 0.00 0.94 0.00 0.00 70 A 8.15 4.04 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 71 H 8.16 3.92 0.00 3.43 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.84 4.62 0.00 1.75 2.03 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.41 7.81 73 L 8.43 3.97 0.00 1.85 1.97 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.41 4.15 0.00 3.05 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 75 N 8.51 4.53 0.00 2.80 2.91 0.00 0.00 6.99 7.30 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 76 K 7.52 4.17 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.42 7.81 77 L 6.98 4.36 0.00 1.39 1.37 0.35 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.22 4.13 0.00 1.64 1.60 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81