NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5166 8.2393 119.6599 56.3468 32.0150 173.1892 2 K 4.3839 8.2801 118.1777 55.5192 35.7459 174.2622 3 C 4.9993 9.2157 116.6180 54.8150 42.0230 175.4594 4 N 4.9401 8.2875 121.5661 53.2020 37.8629 175.1956 5 K 5.4753 7.5037 115.1520 56.9496 36.1399 174.6036 6 L 4.7197 8.5020 118.0665 55.8091 48.9834 175.4313 7 V 4.6397 7.4552 116.3783 60.7856 34.0527 172.5027 8 P 4.5474 0.0000 0.0000 65.1013 31.5259 176.1723 9 L 4.9021 8.0122 118.8298 55.4543 41.0148 175.4879 10 F 4.7114 8.1556 115.9965 57.2319 43.6415 173.5032 11 Y 5.2177 7.5285 115.8464 56.7431 40.6196 173.4753 12 K 4.7412 9.0616 119.6178 56.4168 37.7220 174.0469 13 T 5.2812 8.2729 111.3677 60.6267 71.6712 173.3291 14 C 5.0674 8.4388 116.9018 55.4167 44.7143 173.1388 15 P 4.4030 0.0000 0.0000 62.6264 32.8507 176.3551 16 A 4.5749 8.6046 123.1942 52.5140 18.9649 177.9198 17 G 3.9587 7.8967 105.8219 46.3603 0.0000 174.5410 18 K 4.6159 7.6317 118.9230 55.5984 34.0506 173.7327 19 N 4.9418 8.3006 113.3680 53.9069 42.0213 175.5751 20 L 5.2067 7.3839 121.2230 55.4440 44.6320 174.8652 21 C 5.2826 8.8039 116.9303 56.1024 46.5923 173.4287 22 Y 5.6903 8.5434 118.1138 56.8813 41.4650 173.7122 23 K 3.8879 8.2830 123.9771 55.7041 33.6436 175.4439 24 M 4.1049 7.7021 126.5501 54.5845 33.3736 174.2127 25 F 5.8159 8.2876 127.8529 56.8554 43.1446 173.8456 26 M 5.2097 8.8753 119.8347 54.6967 35.9205 176.1504 27 V 3.9521 8.0067 120.3110 62.2759 30.0865 175.7383 28 S 3.9758 8.4873 115.0149 58.1597 61.2738 171.2843 29 N 4.3896 7.9101 116.2769 56.7427 38.1762 174.9615 30 L 4.4989 7.0072 114.9874 55.2231 43.9231 176.2514 31 T 4.6877 6.6835 115.4154 63.3455 76.4400 175.7681 32 V 4.9042 7.2524 129.8174 63.5883 31.0824 169.2747 33 P 2.9700 0.0000 0.0000 62.0575 31.5230 174.5256 34 V 4.4206 6.8182 120.2354 62.8062 38.7699 175.0213 35 K 4.4515 8.8469 116.5065 56.5766 37.2414 173.4613 36 R 4.3241 8.1091 119.4469 56.5227 33.2322 174.1340 37 G 4.0577 7.5667 107.7941 46.1656 0.0000 171.3976 38 C 5.0974 8.6301 119.9647 55.5413 46.6568 172.5233 39 I 4.4820 7.7094 118.4727 60.8758 40.3963 174.8946 40 D 5.3967 8.6998 119.9615 54.0594 43.2038 176.9826 41 V 4.4372 7.2503 115.4801 60.5985 33.8049 174.4834 42 C 4.8251 8.3361 121.4765 53.9220 44.5021 171.6984 43 P 4.0716 0.0000 0.0000 63.1620 30.5416 178.4866 44 K 4.6393 8.3090 121.3311 54.2974 36.1710 172.3862 45 N 5.0825 8.3968 115.8465 51.7306 41.1975 172.8667 46 S 4.6340 8.1726 111.8168 57.4522 65.7661 173.1007 47 A 4.7507 8.3159 122.4643 52.3892 19.1291 178.2086 48 L 4.7709 7.5962 119.3616 56.9235 46.0003 178.0645 49 V 4.7124 7.7408 109.8792 59.3808 35.3619 176.5191 50 K 4.2225 8.8663 124.8601 56.3707 32.0217 175.2347 51 Y 4.6599 8.5291 123.8135 57.2449 36.8861 174.8499 52 V 4.1301 8.3038 116.5336 60.3320 31.4056 172.4507 53 C 5.3137 8.4921 119.5594 55.1137 38.0028 171.8480 54 C 5.0421 8.9144 113.8547 54.6060 44.9837 173.6350 55 N 5.0278 8.5865 116.1851 52.7808 37.8141 175.1570 56 T 4.3372 7.5474 110.3375 61.5791 70.6770 174.3141 57 D 4.4138 8.6614 119.4455 57.4386 40.7783 177.7196 58 R 4.9502 7.9087 117.7105 55.9602 29.6254 177.3077 59 C 5.0685 7.6322 116.9648 56.0173 50.1574 173.7000 60 N 4.5314 8.0674 125.6039 53.9542 38.5982 174.9060 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 8.24 4.52 0.00 1.75 1.90 0.00 3.30 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 2 K 8.28 4.38 0.00 2.09 1.79 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.49 7.81 3 C 9.22 5.00 0.00 3.05 3.22 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 4 N 8.29 4.94 0.00 2.55 2.85 0.00 0.00 6.86 7.47 0.00 0.00 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 K 7.50 5.48 0.00 1.76 1.74 0.00 2.09 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.42 7.81 6 L 8.50 4.72 0.00 1.61 1.57 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.46 4.64 2.22 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 0.84 0.00 0.00 0.33 0.00 0.00 8 P 0.00 4.55 0.00 2.24 2.15 0.00 3.86 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 2.05 1.92 0.00 9 L 8.01 4.90 0.00 1.61 1.72 0.41 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.16 4.71 0.00 3.03 2.87 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 11 Y 7.53 5.22 0.00 2.95 3.10 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 0.00 0.00 0.00 12 K 9.06 4.74 0.00 1.78 1.74 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 13 T 8.27 5.28 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 1.26 0.00 0.00 14 C 8.44 5.07 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 2.11 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 16 A 8.60 4.57 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 17 G 7.90 3.96 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 0.00 0.00 0.00 18 K 7.63 4.62 0.00 1.75 1.82 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 19 N 8.30 4.94 0.00 2.87 2.67 0.00 0.00 6.97 6.31 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 20 L 7.38 5.21 0.00 2.04 1.67 1.05 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.80 5.28 0.00 2.95 2.93 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 22 Y 8.54 5.69 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.89 0.00 0.79 1.81 0.00 1.97 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.28 7.81 24 M 7.70 4.10 0.00 1.85 1.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.29 5.82 0.00 3.02 2.89 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 26 M 8.88 5.21 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 27 V 8.01 3.95 2.11 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 0.96 0.00 0.00 0.94 0.00 0.00 28 S 8.49 3.98 0.00 4.06 3.97 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 0.00 0.00 0.00 29 N 7.91 4.39 0.00 2.81 2.84 0.00 0.00 7.00 7.67 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 30 L 7.01 4.50 0.00 1.62 1.53 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 31 T 6.68 4.69 4.17 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 1.16 0.00 0.00 32 V 7.25 4.90 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 0.63 0.00 0.00 0.92 0.00 0.00 33 P 0.00 2.97 0.00 1.95 1.68 0.00 3.58 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 34 V 6.82 4.42 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.98 0.00 0.00 35 K 8.85 4.45 0.00 1.68 1.53 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.17 7.81 36 R 8.11 4.32 0.00 1.67 1.62 0.00 3.22 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 37 G 7.57 4.06 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 0.00 0.00 0.00 38 C 8.63 5.10 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 39 I 7.71 4.48 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.17 0.93 0.00 0.00 40 D 8.70 5.40 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.25 4.44 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 0.67 0.00 0.00 0.91 0.00 0.00 42 C 8.34 4.83 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.07 0.00 2.17 1.87 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 44 K 8.31 4.64 0.00 1.62 1.68 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.47 7.81 45 N 8.40 5.08 0.00 2.72 2.81 0.00 0.00 6.73 7.62 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 46 S 8.17 4.63 0.00 3.66 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.75 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 48 L 7.60 4.77 0.00 1.69 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.74 4.71 2.29 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 0.79 0.00 0.00 1.19 0.00 0.00 50 K 8.87 4.22 0.00 1.82 1.89 0.00 1.94 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.64 7.81 51 Y 8.53 4.66 0.00 2.81 3.03 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 0.00 0.00 0.00 52 V 8.30 4.13 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 0.80 0.00 0.00 0.54 0.00 0.00 53 C 8.49 5.31 0.00 3.03 3.18 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 54 C 8.91 5.04 0.00 3.00 3.19 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 55 N 8.59 5.03 0.00 2.81 2.89 0.00 0.00 6.37 7.72 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 56 T 7.55 4.34 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 57 D 8.66 4.41 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.95 0.00 1.86 1.95 0.00 3.36 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 59 C 7.63 5.07 0.00 3.02 2.92 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 0.00 0.00 0.00 60 N 8.07 4.53 0.00 2.94 2.68 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00