NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3791 8.2644 123.5842 52.3343 19.1932 175.7359 3 R 4.2690 7.5136 121.4541 55.0386 33.2728 175.4653 4 K 3.9673 8.5062 120.2226 59.4014 33.2980 178.1158 5 A 4.0888 7.9512 119.9932 54.1781 18.0197 178.9536 6 L 4.0054 7.8059 118.6255 58.3845 42.1754 178.7565 7 I 3.9285 7.5915 112.1248 63.6215 37.4899 178.0068 8 E 3.9257 7.9233 120.8325 59.3227 29.1061 178.9684 9 K 3.8683 7.8692 119.3537 59.2349 31.9333 177.6714 10 A 3.6251 7.3293 117.5532 53.1314 18.3915 178.2108 11 K 4.2714 7.8614 116.6680 57.3341 33.8105 178.3379 12 R 3.9570 7.4217 117.8135 58.9395 31.4256 177.0526 13 T 3.4315 7.7570 111.7672 64.2720 65.2646 170.7496 14 P 4.3534 0.0000 0.0000 63.6420 32.4436 176.9693 15 K 4.1282 7.1917 116.9112 55.4154 35.6592 175.0508 16 F 4.0430 7.0206 116.7939 57.7494 39.4317 176.7409 17 K 4.2740 8.6899 122.3301 58.4610 32.9184 178.3654 18 V 3.7478 7.9488 121.1913 66.4495 31.4727 177.8297 19 R 4.2585 8.1092 114.1716 57.0946 29.8473 176.3487 20 A 4.1521 7.6365 123.0236 52.0589 18.5615 176.8097 21 Y 4.9264 7.7517 120.4478 55.0192 41.1827 175.0125 22 T 4.1201 8.5298 111.6882 61.9117 69.6910 173.4190 23 R 4.4663 8.0604 116.4514 55.4415 32.9396 173.4411 24 C 4.0577 8.9788 126.5153 59.8713 32.0556 174.5779 25 V 3.6362 8.5146 127.3334 65.8837 31.6829 176.7193 26 R 3.9424 7.9700 118.8197 57.4775 29.3544 177.5349 27 C 3.7920 8.8388 120.6969 60.3103 30.1670 176.0396 28 G 4.3016 7.8949 106.3237 45.8117 0.0000 173.5378 29 R 4.0142 7.8465 119.0069 56.3175 30.7389 176.8302 30 A 4.4308 8.5856 124.9517 53.0868 20.1380 177.7406 31 R 4.5265 7.6400 109.9513 55.1422 32.0555 175.1633 32 S 3.4881 8.2426 110.8004 59.6821 60.2446 172.0524 33 V 4.6135 7.5987 119.2225 61.2302 32.7512 174.4540 34 Y 4.4265 8.7843 125.9087 57.5143 38.6022 177.1456 35 R 4.0423 8.8893 123.5708 59.3562 30.6677 178.0305 36 F 4.0412 8.6461 118.9378 61.2192 39.3578 175.9262 37 F 4.4862 8.7763 115.8688 57.1992 39.5758 176.1393 38 G 4.1219 8.3762 109.1104 46.3246 0.0000 173.1571 39 L 5.2007 7.8025 117.3194 52.2051 45.3632 176.1911 40 C 4.9536 8.4440 115.8706 57.6876 30.5865 174.9431 41 R 4.2559 8.4010 117.9100 59.5942 29.3030 178.9675 42 I 3.8606 7.7140 120.2805 64.2133 37.3009 177.7440 43 C 4.9359 8.4147 116.3637 60.9159 29.1410 175.7797 44 L 3.8528 7.6585 121.4734 58.4356 39.9717 179.1181 45 R 3.7441 7.7790 119.0925 59.2813 29.8865 178.4530 46 E 3.9816 7.9445 117.8318 59.3149 29.4709 179.0935 47 L 3.9637 8.0839 118.8436 57.6881 41.7649 179.2138 48 A 3.9737 8.6043 121.2133 55.7444 18.0400 179.4809 49 H 4.1276 7.8588 112.8826 58.8346 28.8921 177.8832 50 K 4.1709 8.0971 118.8971 57.2231 32.2017 178.4444 51 G 3.9975 8.0022 107.1033 45.8476 0.0000 174.9942 52 Q 4.1935 7.6415 117.1719 56.0325 28.4293 176.0414 53 L 4.7044 8.0426 118.8115 52.0773 43.8477 174.4317 54 P 4.0771 0.0000 0.0000 64.1509 31.7867 176.5584 55 G 4.2663 9.0024 115.8929 46.0259 0.0000 174.2100 56 V 3.5320 6.9532 117.5663 63.3394 31.6348 175.0529 57 R 4.5348 8.1189 125.3673 54.2042 33.0090 173.9811 58 K 3.8265 8.5859 123.3690 56.6737 32.1399 176.2926 59 A 4.5278 8.3684 129.8210 51.6959 19.6735 176.5275 60 S 4.4685 8.5725 111.1317 57.4938 65.3949 176.0865 61 W 4.6790 8.2201 120.9358 56.9436 27.4748 174.1749 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 A 8.26 4.38 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 3 R 7.51 4.27 0.00 1.89 1.86 0.00 3.19 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 4 K 8.51 3.97 0.00 1.92 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 5 A 7.95 4.09 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 6 L 7.81 4.01 0.00 1.71 1.87 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.59 3.93 1.89 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 1.79 0.83 0.94 0.00 0.00 8 E 7.92 3.93 0.00 2.05 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 2.33 2.35 0.00 9 K 7.87 3.87 0.00 1.80 2.02 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 A 7.33 3.63 1.20 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 0.00 0.00 11 K 7.86 4.27 0.00 1.64 1.80 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.66 7.81 12 R 7.42 3.96 0.00 1.80 1.92 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 13 T 7.76 3.43 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 1.24 0.00 0.00 14 P 0.00 4.35 0.00 2.14 2.14 0.00 3.72 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 1.97 1.98 0.00 15 K 7.19 4.13 0.00 1.74 1.24 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.46 7.81 16 F 7.02 4.04 0.00 3.07 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 17 K 8.69 4.27 0.00 1.89 1.97 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 V 7.95 3.75 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 0.95 0.00 0.00 0.98 0.00 0.00 19 R 8.11 4.26 0.00 1.95 2.11 0.00 3.56 0.00 0.00 3.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 20 A 7.64 4.15 1.33 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 0.00 0.00 21 Y 7.75 4.93 0.00 3.01 2.88 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 22 T 8.53 4.12 4.30 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 1.26 0.00 0.00 23 R 8.06 4.47 0.00 1.73 1.79 0.00 3.47 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 24 C 8.98 4.06 0.00 2.99 2.95 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 25 V 8.51 3.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 26 R 7.97 3.94 0.00 1.95 1.74 0.00 3.23 0.00 0.00 3.42 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 27 C 8.84 3.79 0.00 3.09 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 28 G 7.89 4.30 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 0.00 29 R 7.85 4.01 0.00 1.93 1.85 0.00 3.23 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 30 A 8.59 4.43 1.28 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 0.00 0.00 0.00 31 R 7.64 4.53 0.00 1.88 1.89 0.00 3.18 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 32 S 8.24 3.49 0.00 4.03 3.91 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 0.00 0.00 0.00 33 V 7.60 4.61 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 0.94 0.00 0.00 1.01 0.00 0.00 34 Y 8.78 4.43 0.00 3.40 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 35 R 8.89 4.04 0.00 1.91 2.06 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 36 F 8.65 4.04 0.00 3.03 3.07 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 37 F 8.78 4.49 0.00 3.20 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 38 G 8.38 4.12 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 0.00 0.00 0.00 39 L 7.80 5.20 0.00 1.82 1.60 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.44 4.95 0.00 3.14 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 41 R 8.40 4.26 0.00 2.24 2.38 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 I 7.71 3.86 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 1.72 1.25 0.92 0.00 0.00 43 C 8.41 4.94 0.00 3.16 3.23 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 0.00 44 L 7.66 3.85 0.00 1.55 1.90 0.56 0.51 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 45 R 7.78 3.74 0.00 1.93 2.22 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 46 E 7.94 3.98 0.00 2.21 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 2.38 2.56 0.00 47 L 8.08 3.96 0.00 1.77 1.72 0.94 0.73 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 48 A 8.60 3.97 1.26 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 0.00 0.00 0.00 49 H 7.86 4.13 0.00 3.30 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.10 4.17 0.00 1.87 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 51 G 8.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.19 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 53 L 8.04 4.70 0.00 1.70 1.71 0.70 1.08 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 54 P 0.00 4.08 0.00 2.10 2.06 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 55 G 9.00 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 0.00 0.00 0.00 0.00 56 V 6.95 3.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.19 0.00 0.00 57 R 8.12 4.53 0.00 1.87 1.72 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 58 K 8.59 3.83 0.00 1.73 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 59 A 8.37 4.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.47 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.22 4.68 0.00 3.34 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