NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3054 8.2644 123.5812 51.5781 20.7604 177.2740 2 K 4.0245 8.0238 114.5891 54.4455 33.5941 173.3709 3 T 3.9269 7.9202 109.8566 60.7553 70.4269 170.2166 4 I 4.2264 7.5128 118.5461 60.3889 41.6439 172.5044 5 K 5.0277 8.7761 127.6816 54.9091 34.3458 175.2760 6 I 4.9464 8.9018 125.9906 59.7968 40.0839 174.8267 7 T 4.9695 8.8568 122.9508 61.6376 71.7281 174.3857 8 Q 4.1979 8.8353 124.3950 55.9029 29.4421 178.1899 9 T 3.3912 8.2391 109.6051 65.6586 68.3142 172.1730 10 R 4.6858 9.0010 117.3139 54.0952 33.4464 174.4332 11 S 4.2638 8.6168 116.1087 58.6665 62.9046 173.5190 12 A 4.7870 8.2716 126.2692 52.1606 19.1043 178.4529 13 I 3.8845 7.1996 120.2016 65.6913 37.5608 177.9323 14 G 3.9997 7.7992 107.5731 45.9786 0.0000 173.7115 15 R 4.2226 7.5067 118.3782 55.0480 30.4134 176.2023 16 L 4.2521 8.2500 119.7063 54.5665 42.4129 176.2801 17 P 4.5067 0.0000 0.0000 64.4938 31.4159 178.9026 18 K 3.9747 7.8890 117.3622 59.7472 32.1003 178.4836 19 H 4.1455 8.3473 116.0216 59.4242 28.4979 177.3744 20 K 3.9987 7.8941 119.0719 59.2756 31.7532 179.0094 21 A 3.9858 8.1960 121.2206 56.0423 18.4921 179.5352 22 T 3.9737 9.1021 115.0835 66.5915 68.5339 177.2201 23 L 3.8071 8.1085 120.7267 57.6784 41.6592 179.3241 24 L 4.0266 8.3490 120.7766 58.3838 41.8407 179.1249 25 G 3.6919 7.9502 102.7719 46.4668 0.0000 174.7554 26 L 4.3300 8.1699 120.9091 54.7807 41.7078 178.3454 27 G 3.8683 8.0409 106.8323 45.3286 0.0000 173.5684 28 L 4.2045 7.3058 120.6638 54.8471 41.7376 177.0197 29 R 4.3140 8.4392 122.8217 57.8076 31.4603 176.8133 30 R 4.5440 7.5026 113.7618 54.4542 33.9120 173.9694 31 I 3.7425 8.4145 113.7481 62.8758 37.3835 175.8624 32 G 3.7953 8.7047 114.1295 46.9366 0.0000 174.6915 33 H 4.2224 8.2709 120.0423 59.0042 30.2163 171.9900 34 T 4.0643 8.6079 120.9429 62.8837 68.6416 171.4979 35 V 4.2897 7.5888 121.4183 61.0883 34.4327 171.1760 36 E 5.1190 8.7591 121.8312 55.1119 30.9661 175.6443 37 R 4.7816 8.8352 122.8186 53.9303 34.7085 174.8827 38 E 4.3268 8.7627 120.7755 55.9105 30.2608 176.9076 39 D 4.5961 8.1913 122.6237 53.9233 40.9202 176.7173 40 T 4.3766 7.3042 114.3130 60.7366 70.2977 172.2066 41 P 4.1889 0.0000 0.0000 65.5022 30.8641 178.5750 42 A 3.9266 8.1193 119.5247 55.3020 18.1049 179.2523 43 I 3.9581 7.6337 110.0981 63.1204 38.1366 178.0726 44 R 3.9291 8.2655 121.3881 58.9790 29.6138 178.3650 45 G 3.7424 8.5203 105.7281 48.2316 0.0000 174.9544 46 M 4.1837 7.5966 120.5859 58.1393 31.5306 178.7607 47 I 3.5925 7.8664 119.8377 64.6952 37.1049 178.0347 48 N 4.3240 8.3560 116.3447 56.2933 38.7503 176.4734 49 A 4.2107 7.9163 122.0453 54.1487 18.6971 178.5383 50 V 3.5783 6.9175 108.4220 60.9777 32.4603 177.9418 51 S 3.9723 7.8537 117.8497 61.4876 62.5408 176.5248 52 F 4.4553 7.7438 114.0769 58.4609 37.5248 174.7549 53 M 5.0360 7.6582 119.2612 54.6586 31.7307 175.6500 54 V 4.6945 7.7200 111.0329 60.9121 36.1985 174.1210 55 K 4.6869 8.9176 126.2868 54.7739 34.7107 175.5903 56 V 4.8036 8.1215 124.7090 60.2921 33.7826 174.2392 57 E 4.6869 8.9312 126.0934 54.5220 31.6005 176.6805 58 E 4.2351 8.5608 120.3735 56.4642 29.8416 175.6626 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 A 8.26 4.31 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 2 K 8.02 4.02 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.54 7.81 3 T 7.92 3.93 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 1.23 0.00 0.00 4 I 7.51 4.23 1.86 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 1.33 1.40 0.96 0.00 0.00 5 K 8.78 5.03 0.00 1.75 1.67 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.42 7.81 6 I 8.90 4.95 1.84 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 1.20 0.83 0.88 0.00 0.00 7 T 8.86 4.97 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 8 Q 8.84 4.20 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.87 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 9 T 8.24 3.39 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 1.24 0.00 0.00 10 R 9.00 4.69 0.00 1.77 1.83 0.00 3.40 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 S 8.62 4.26 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 12 A 8.27 4.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.20 3.88 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 1.24 0.91 0.92 0.00 0.00 14 G 7.80 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 15 R 7.51 4.22 0.00 2.07 2.03 0.00 3.29 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 16 L 8.25 4.25 0.00 1.44 1.52 0.84 0.94 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 17 P 0.00 4.51 0.00 2.15 2.08 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 18 K 7.89 3.97 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.35 4.15 0.00 3.42 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.89 4.00 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.49 1.50 7.81 21 A 8.20 3.99 1.31 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 0.00 0.00 0.00 22 T 9.10 3.97 4.52 0.00 0.00 0.00 0.00 0.00 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 23 L 8.11 3.81 0.00 2.09 1.71 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.35 4.03 0.00 1.69 1.90 0.92 1.07 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 25 G 7.95 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.33 0.00 1.86 1.70 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.31 4.20 0.00 1.70 1.65 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.44 4.31 0.00 1.41 1.84 0.00 3.15 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 R 7.50 4.54 0.00 1.80 1.75 0.00 3.12 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 31 I 8.41 3.74 1.88 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 1.36 0.53 0.97 0.00 0.00 32 G 8.70 3.80 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 0.00 0.00 0.00 33 H 8.27 4.22 0.00 3.33 3.34 0.00 6.06 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.61 4.06 4.19 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 1.18 0.00 0.00 35 V 7.59 4.29 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 0.80 0.00 0.00 0.90 0.00 0.00 36 E 8.76 5.12 0.00 1.84 1.90 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 2.21 2.29 0.00 37 R 8.84 4.78 0.00 1.73 1.74 0.00 3.16 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 38 E 8.76 4.33 0.00 1.82 1.88 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 2.31 2.37 0.00 39 D 8.19 4.60 0.00 2.62 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 40 T 7.30 4.38 4.24 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 0.00 0.00 0.00 1.27 0.00 0.00 41 P 0.00 4.19 0.00 2.19 2.08 0.00 3.67 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 2.11 2.15 0.00 42 A 8.12 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.96 1.86 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 1.75 0.68 0.90 0.00 0.00 44 R 8.27 3.93 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 45 G 8.52 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 46 M 7.60 4.18 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 47 I 7.87 3.59 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.86 0.00 0.00 48 N 8.36 4.32 0.00 2.65 3.08 0.00 0.00 7.25 7.51 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 49 A 7.92 4.21 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 50 V 6.92 3.58 1.59 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 0.58 0.00 0.00 0.84 0.00 0.00 51 S 7.85 3.97 0.00 3.95 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 0.00 52 F 7.74 4.46 0.00 3.13 3.26 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 53 M 7.66 5.04 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.56 0.00 54 V 7.72 4.69 2.02 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 0.51 0.00 0.00 0.89 0.00 0.00 55 K 8.92 4.69 0.00 1.83 1.63 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 56 V 8.12 4.80 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 0.78 0.00 0.00 0.96 0.00 0.00 57 E 8.93 4.69 0.00 1.95 1.88 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 2.25 2.23 0.00 58 E 8.56 4.24 0.00 2.01 1.86 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 2.14 2.24 0.00