NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1964 8.1701 117.3741 63.1671 69.7928 173.3456 3 A 4.1707 8.3187 127.5049 51.3885 19.4293 175.0436 4 L 4.7441 8.3860 119.9729 52.8136 45.4445 175.4360 5 A 4.1944 8.3421 125.3286 51.3027 19.2047 177.1467 6 K 3.9946 8.4643 122.4746 55.7814 32.5337 175.3955 7 P 4.6381 0.0000 0.0000 60.9540 33.1936 174.8655 8 Q 4.0718 8.4234 119.7173 56.6273 29.0462 175.2998 9 M 4.7099 8.6458 122.7075 54.7769 33.1373 175.4964 10 R 4.6360 7.6698 117.7639 54.9673 33.4530 175.3704 11 G 3.9917 8.6150 106.1314 46.6450 0.0000 176.1840 12 L 4.0039 7.3830 118.7208 57.2333 41.6309 178.7705 13 L 3.9450 7.8607 119.7027 58.0734 42.1006 178.6586 14 A 4.0050 7.9533 120.3211 55.0092 18.3459 179.4004 15 R 3.8295 8.0730 117.2128 59.7247 30.3357 178.7935 16 R 3.9922 8.0539 118.4932 59.1491 29.9891 178.2808 17 L 3.9773 8.0850 120.3274 58.1135 42.3083 178.7149 18 R 3.8952 8.2674 118.9708 59.4877 30.0384 178.0719 19 F 4.0002 8.2819 120.1924 61.8381 39.3807 176.7723 20 H 4.4144 8.4227 114.9878 58.2159 28.5523 177.9534 21 I 3.7589 7.9856 122.3168 64.2838 36.9543 178.4683 22 V 3.7260 7.7533 118.9598 65.8589 31.3302 178.3430 23 G 3.4594 7.8398 105.2188 47.6766 0.0000 175.5567 24 A 4.0447 8.2918 123.4993 54.7251 18.3575 179.4884 25 F 4.1349 8.4308 119.1954 61.7853 39.4485 177.2673 26 M 3.7973 8.1209 118.2926 58.4316 31.6930 179.0137 27 V 3.5888 7.8542 118.2697 65.8747 31.6094 178.3449 28 S 4.1692 7.9872 115.1858 61.4967 62.6841 176.5947 29 L 3.9741 7.6931 121.8517 57.7107 41.3506 179.8354 30 G 3.6219 8.2391 105.8248 47.5675 0.0000 175.6640 31 F 4.2525 8.5238 122.8806 61.0048 39.4355 176.8593 32 A 3.7991 8.6583 120.8234 55.7426 17.9094 179.5821 33 T 3.7823 7.6843 112.3189 66.8872 68.7679 176.2728 34 F 4.2977 8.0540 122.2948 61.3196 39.4320 176.5702 35 Y 3.4411 8.1726 119.4371 60.1498 38.6715 178.4182 36 K 4.4674 8.1467 119.0660 55.5655 32.5341 177.0504 37 F 4.8481 7.3772 121.0032 59.6137 46.9511 175.3744 38 A 3.3859 7.6873 121.3299 53.2954 18.4812 177.2193 39 V 3.8172 7.0822 113.5914 63.5174 33.6478 177.2260 40 A 3.8857 7.3448 120.5051 55.4374 18.2819 179.3234 41 E 3.8920 7.9070 116.0222 59.1796 29.5478 179.3154 42 K 3.7085 7.3485 119.1802 59.4087 32.1573 178.8133 43 R 3.9132 7.8827 118.7808 59.4800 30.0194 178.6455 44 K 4.0331 7.9086 118.0040 59.4025 31.9521 179.3381 45 K 3.9660 8.4629 120.0170 59.2101 32.1215 178.7307 46 A 3.9295 8.2617 121.3613 55.4560 18.3207 179.3165 47 Y 3.7321 8.1969 114.9854 60.9940 37.8537 178.4528 48 A 4.1617 8.4335 121.8677 55.3529 18.3156 179.4022 49 D 4.3397 8.5868 116.7902 57.3788 40.9668 178.5068 50 F 4.0163 8.0145 119.8622 61.5396 39.5539 176.3877 51 Y 4.4244 7.9484 113.0246 58.9739 37.9194 177.2114 52 R 4.2049 7.5964 120.4940 58.7794 30.5730 177.5832 53 N 5.0769 7.8497 113.5803 52.7734 39.7252 173.9628 54 Y 4.0733 8.1221 119.0830 57.1753 39.8539 174.3027 55 D 4.5171 7.7841 126.1856 52.1339 42.8859 176.4381 56 S 3.8334 7.9335 123.6982 61.5131 63.0623 176.1970 57 M 4.1357 7.9753 121.9168 57.9944 31.8165 178.3856 58 K 3.9301 8.0956 119.3889 59.4113 32.4339 178.1301 59 D 4.3453 8.1202 118.3304 57.3289 41.1886 177.9827 60 F 4.3380 8.5798 121.3618 61.3827 39.3526 176.4566 61 E 3.6125 8.5984 119.2822 59.4297 29.4475 178.7289 62 E 3.8979 8.1622 118.3837 59.6948 29.3791 179.3153 63 M 3.9260 7.9344 118.7917 58.0592 31.8718 178.8073 64 R 3.9653 8.1156 119.2706 59.5268 30.0670 178.7961 65 K 3.8845 7.9372 116.7585 59.2966 32.0827 178.8081 66 A 4.1463 7.7080 119.5602 52.6685 18.3157 177.8528 67 G 3.7876 8.0051 105.6912 46.4298 0.0000 175.1511 68 I 3.7795 7.0642 115.3946 62.3477 38.0808 176.3777 69 F 4.8884 7.5256 119.1240 57.1299 39.7417 175.3827 70 Q 4.3540 8.9079 122.5434 57.5386 29.2681 177.1081 71 S 4.4348 8.1677 110.0293 58.3569 64.0843 173.6604 72 A 4.5769 7.9127 122.5657 50.3991 20.3894 175.7638 73 K 4.2534 8.7221 120.3799 57.3983 32.3293 177.2024 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 T 8.17 4.20 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 1.21 0.00 0.00 3 A 8.32 4.17 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 4 L 8.39 4.74 0.00 1.59 1.54 0.92 0.76 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 5 A 8.34 4.19 1.23 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 0.00 0.00 6 K 8.46 3.99 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.64 0.00 2.20 2.05 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 Q 8.42 4.07 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.65 4.71 0.00 1.99 2.03 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 2.64 2.50 0.00 10 R 7.67 4.64 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.62 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.38 4.00 0.00 1.68 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 3.94 0.00 1.76 1.66 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.01 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 15 R 8.07 3.83 0.00 1.99 2.19 0.00 3.24 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 16 R 8.05 3.99 0.00 1.95 2.12 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 17 L 8.09 3.98 0.00 1.92 1.89 0.95 0.72 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 18 R 8.27 3.90 0.00 1.93 2.15 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.28 4.00 0.00 3.12 3.17 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 0.00 20 H 8.42 4.41 0.00 3.41 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.99 3.76 1.93 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 1.65 1.02 0.91 0.00 0.00 22 V 7.75 3.73 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 0.97 0.00 0.00 0.92 0.00 0.00 23 G 7.84 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.13 0.00 3.11 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 26 M 8.12 3.80 0.00 2.04 2.18 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 2.62 3.02 0.00 27 V 7.85 3.59 2.18 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 1.10 0.00 0.00 1.00 0.00 0.00 28 S 7.99 4.17 0.00 4.02 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 L 7.69 3.97 0.00 1.63 1.53 0.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.24 3.62 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 0.00 0.00 0.00 31 F 8.52 4.25 0.00 3.13 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 32 A 8.66 3.80 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 33 T 7.68 3.78 4.46 0.00 0.00 0.00 0.00 0.00 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 34 F 8.05 4.30 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 35 Y 8.17 3.44 0.00 2.29 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.47 0.00 1.85 1.83 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 37 F 7.38 4.85 0.00 2.88 3.05 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 0.00 0.00 0.00 38 A 7.69 3.39 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 3.82 0.82 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 0.62 0.00 0.00 0.33 0.00 0.00 40 A 7.34 3.89 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 41 E 7.91 3.89 0.00 1.91 1.96 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 2.50 2.33 0.00 42 K 7.35 3.71 0.00 1.79 1.74 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.26 7.81 43 R 7.88 3.91 0.00 2.06 2.07 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 44 K 7.91 4.03 0.00 2.01 1.86 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 45 K 8.46 3.97 0.00 1.80 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.57 7.81 46 A 8.26 3.93 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 47 Y 8.20 3.73 0.00 3.28 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 48 A 8.43 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.34 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 4.02 0.00 2.86 2.86 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 0.00 0.00 0.00 51 Y 7.95 4.42 0.00 3.27 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 52 R 7.60 4.20 0.00 2.00 2.12 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 53 N 7.85 5.08 0.00 2.67 2.72 0.00 0.00 6.85 7.46 0.00 0.00 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 Y 8.12 4.07 0.00 2.84 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 55 D 7.78 4.52 0.00 2.64 2.32 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 56 S 7.93 3.83 0.00 4.16 4.18 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 57 M 7.98 4.14 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.10 3.93 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.47 7.81 59 D 8.12 4.35 0.00 2.93 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 60 F 8.58 4.34 0.00 3.17 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 3.61 0.00 2.33 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 2.33 2.38 0.00 62 E 8.16 3.90 0.00 2.24 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 2.30 2.45 0.00 63 M 7.93 3.93 0.00 1.64 2.35 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.47 0.00 64 R 8.12 3.97 0.00 1.15 1.73 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 65 K 7.94 3.88 0.00 1.69 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 A 7.71 4.15 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 67 G 8.01 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 0.00 0.00 0.00 68 I 7.06 3.78 1.59 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.70 0.00 0.00 69 F 7.53 4.89 0.00 3.40 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 70 Q 8.91 4.35 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 S 8.17 4.43 0.00 3.96 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 72 A 7.91 4.58 1.41 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 0.00 0.00 0.00 73 K 8.72 4.25 0.00 1.79 1.76 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.40 7.81