NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2975 8.2549 117.2824 55.9354 30.7418 174.1274 2 K 4.4492 8.1045 117.6405 53.2479 35.1114 174.5746 3 R 4.0828 8.3739 120.9936 55.9758 31.6503 175.4557 4 H 4.1152 8.9393 125.3859 55.5401 30.1742 174.4616 5 P 4.3509 0.0000 0.0000 64.9369 31.3205 176.4203 6 D 4.8950 8.1918 117.7600 54.0887 41.5089 178.3046 7 C 4.3071 7.9629 118.1012 59.5853 40.3283 174.4486 8 D 5.0313 8.1496 116.8106 53.8487 41.1867 175.8885 9 K 4.5171 8.1657 119.5787 54.2189 33.5488 174.8213 10 P 4.4330 0.0000 0.0000 61.4795 32.0765 174.6092 11 P 3.9393 0.0000 0.0000 62.7927 31.5747 175.9265 12 D 4.5547 8.7295 121.8467 54.0440 40.0539 175.9617 13 T 4.4374 8.2613 115.3216 61.3303 69.5118 175.4653 14 K 4.0924 8.2816 122.7170 56.7867 32.6558 175.7345 15 I 4.3339 7.9867 121.3381 60.2948 38.0608 176.4588 16 C 4.8477 8.3344 120.7150 55.8537 42.0422 173.0907 17 Q 4.3272 7.2021 119.6690 55.6479 31.3978 172.9547 18 T 4.0291 8.2540 109.2375 61.2114 69.4295 174.3836 19 V 4.0316 8.0259 124.0496 63.0891 32.4133 175.2785 20 V 4.5777 8.5802 125.1352 59.9305 35.4062 174.3383 21 R 4.6277 8.4983 120.6613 55.5817 30.9457 175.6078 22 A 4.9078 8.3683 124.3541 50.5330 23.7297 174.1147 23 F 5.8113 9.6470 116.7170 56.2212 42.7745 174.5897 24 Y 5.4478 8.8986 118.5876 55.5621 42.1534 173.2043 25 Y 4.7341 10.1420 122.3172 56.4825 40.3528 174.0518 26 K 4.4701 7.9266 128.8920 53.8641 33.3839 174.7238 27 P 4.1420 0.0000 0.0000 66.0980 31.2294 178.3244 28 S 4.4860 7.8365 112.0165 58.1496 62.2540 174.8208 29 A 4.3945 8.1923 119.0887 52.0878 22.8925 177.2501 30 K 4.4420 7.3763 112.9602 55.7930 30.5925 174.3890 31 R 4.8134 7.0453 114.1721 55.1119 35.3278 175.0088 32 C 5.2355 8.6849 117.5270 55.7698 41.1201 173.8627 33 V 4.7414 8.1487 115.3791 59.2522 35.6912 174.7921 34 Q 4.4872 8.7365 124.2395 56.2746 29.9839 174.8174 35 F 5.0304 9.2949 119.8571 55.7177 42.3080 173.7544 36 R 3.9820 8.4967 118.6827 55.3633 29.9462 175.3086 37 Y 3.9470 8.2920 126.9829 56.5144 40.1598 175.7176 38 G 3.7153 7.0109 109.9022 44.3295 0.0000 174.8760 39 G 3.5324 5.3800 107.1070 45.9864 0.0000 175.4478 40 C 4.3136 7.7232 116.0975 56.7842 39.3222 172.9349 41 N 4.2472 8.2931 118.6272 54.3502 37.4662 175.7132 42 G 3.6743 8.8513 106.7876 47.4867 0.0000 173.2724 43 N 4.5351 7.4545 114.7505 52.6631 40.0192 174.1772 44 G 3.7433 8.5775 106.9721 45.7623 0.0000 174.8969 45 N 4.5879 8.1123 121.3374 50.8160 36.8438 172.8615 46 H 4.6851 5.6244 110.6067 54.4570 31.3244 174.2495 47 F 4.9059 9.4949 122.1790 55.0862 42.6436 176.2892 48 K 4.0285 9.1550 121.3612 59.7832 32.2627 177.4453 49 S 4.3773 7.7943 111.3646 55.5610 67.0263 174.3845 50 D 3.7231 7.1119 121.0493 57.6093 40.7601 177.6596 51 H 3.8172 7.9649 117.9080 59.3266 29.8161 176.5700 52 L 3.8610 7.3331 121.5181 58.2569 41.8884 178.1509 53 C 3.1811 8.1242 118.3956 59.2566 41.8158 175.7243 54 R 3.6444 8.2710 119.8857 59.3430 29.4591 178.2270 55 C 3.6595 7.5105 117.0147 62.9046 31.6447 175.3888 56 E 4.0658 7.8472 119.0588 57.9412 28.9554 177.4076 57 C 4.3577 7.4623 113.3102 55.9424 42.5337 174.2646 58 L 3.6071 7.8073 122.5561 55.0461 41.8207 176.1058 59 E 4.0056 8.3393 125.8890 56.1144 30.2478 177.5208 60 Y 4.5393 8.0847 125.1804 56.9438 36.5905 175.6372 61 R 4.2263 7.8315 122.8748 56.6959 30.9726 175.5155 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 8.25 4.30 0.00 1.93 2.01 0.00 2.94 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 2 K 8.10 4.45 0.00 1.80 1.72 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.49 7.81 3 R 8.37 4.08 0.00 1.70 1.77 0.00 3.12 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 4 H 8.94 4.12 0.00 3.22 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.35 0.00 2.19 2.13 0.00 3.39 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 1.80 1.89 0.00 6 D 8.19 4.90 0.00 2.87 2.78 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 7 C 7.96 4.31 0.00 2.91 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 8 D 8.15 5.03 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.52 0.00 1.87 1.75 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 P 0.00 4.43 0.00 2.12 2.02 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 11 P 0.00 3.94 0.00 0.85 0.49 0.00 3.48 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 12 D 8.73 4.55 0.00 2.78 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 13 T 8.26 4.44 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 1.39 0.00 0.00 14 K 8.28 4.09 0.00 1.92 1.73 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 15 I 7.99 4.33 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.89 0.00 0.00 16 C 8.33 4.85 0.00 2.80 2.96 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 0.00 0.00 0.00 17 Q 7.20 4.33 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 18 T 8.25 4.03 4.20 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 1.18 0.00 0.00 19 V 8.03 4.03 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 0.75 0.00 0.00 0.82 0.00 0.00 20 V 8.58 4.58 2.07 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 0.82 0.00 0.00 0.94 0.00 0.00 21 R 8.50 4.63 0.00 1.66 1.91 0.00 3.13 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 22 A 8.37 4.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.65 5.81 0.00 3.18 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 24 Y 8.90 5.45 0.00 2.94 2.28 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 25 Y 10.14 4.73 0.00 3.07 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 26 K 7.93 4.47 0.00 1.35 1.31 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.34 7.81 27 P 0.00 4.14 0.00 2.26 2.72 0.00 3.66 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 2.05 2.03 0.00 28 S 7.84 4.49 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.19 4.39 1.11 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 0.00 0.00 30 K 7.38 4.44 0.00 1.89 1.91 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.51 7.81 31 R 7.05 4.81 0.00 1.62 1.68 0.00 3.08 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 32 C 8.68 5.24 0.00 3.09 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 33 V 8.15 4.74 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 0.60 0.00 0.00 0.32 0.00 0.00 34 Q 8.74 4.49 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 35 F 9.29 5.03 0.00 3.07 3.21 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 0.00 36 R 8.50 3.98 0.00 1.65 1.84 0.00 3.18 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 37 Y 8.29 3.95 0.00 2.18 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.01 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.72 4.31 0.00 3.20 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 41 N 8.29 4.25 0.00 3.03 2.83 0.00 0.00 6.93 8.59 0.00 0.00 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 G 8.85 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 0.00 0.00 0.00 43 N 7.45 4.54 0.00 2.93 2.79 0.00 0.00 6.84 6.88 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 44 G 8.58 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 0.00 0.00 0.00 45 N 8.11 4.59 0.00 2.97 2.84 0.00 0.00 6.90 7.44 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 46 H 5.62 4.69 0.00 2.56 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.49 4.91 0.00 3.02 2.96 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 0.00 0.00 0.00 48 K 9.15 4.03 0.00 1.84 2.00 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 49 S 7.79 4.38 0.00 3.83 3.94 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 0.00 0.00 0.00 50 D 7.11 3.72 0.00 2.08 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 7.96 3.82 0.00 3.15 3.21 0.00 5.73 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 52 L 7.33 3.86 0.00 1.79 1.84 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.12 3.18 0.00 3.13 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 54 R 8.27 3.64 0.00 1.64 1.80 0.00 3.11 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 55 C 7.51 3.66 0.00 3.00 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 56 E 7.85 4.07 0.00 1.27 1.71 0.00 0.00 0.00 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 2.16 0.00 57 C 7.46 4.36 0.00 2.36 1.98 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 58 L 7.81 3.61 0.00 1.44 1.16 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.34 4.01 0.00 1.97 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 2.20 2.19 0.00 60 Y 8.08 4.54 0.00 2.96 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 61 R 7.83 4.23 0.00 2.01 1.98 0.00 3.45 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00