NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3660 8.2893 120.3283 55.8643 33.0724 173.7477 2 I 2.7782 8.5476 118.6826 59.9608 36.8367 172.0177 3 I 2.9522 8.3477 123.3075 61.0578 38.4111 176.4550 4 P 4.1743 0.0000 0.0000 63.6040 31.3160 173.0926 5 I 2.9196 7.4720 124.0285 60.9884 39.0507 169.0485 6 R 4.1096 8.8471 134.5162 55.3372 28.4501 176.0653 7 C 4.1426 8.0780 117.4370 57.6733 30.2799 174.1720 8 F 4.7734 8.3999 119.9072 60.3733 38.9204 176.8950 9 S 4.5384 8.2105 113.5780 60.2489 64.3411 173.6273 10 C 4.6696 7.7508 121.0187 58.5244 29.0089 173.2834 11 G 3.9697 8.1924 108.0964 46.3670 0.0000 172.6713 12 K 4.1273 7.7460 119.0447 55.6856 31.3426 175.9518 13 V 3.9330 8.3896 118.8455 61.6383 31.7113 176.2411 14 I 4.4966 8.3566 115.8232 60.4021 38.2668 177.4796 15 G 3.4329 8.1219 111.7676 48.6668 0.0000 175.1852 16 D 4.5461 8.1096 118.7267 55.5774 39.8627 176.5127 17 K 4.6194 7.2641 118.3718 56.5117 32.9856 177.1073 18 W 5.0283 8.0253 128.1483 58.6654 32.6800 176.5573 19 D 4.3692 8.5615 116.7284 56.4835 38.2799 177.9220 20 T 4.2603 7.7029 108.9964 63.6387 70.0627 175.6107 21 Y 4.1550 7.9439 122.4870 60.3972 38.8355 177.5435 22 L 3.4092 7.2768 120.9790 57.6388 41.9585 177.3914 23 T 4.1450 6.9962 107.1471 61.5062 69.3937 175.1726 24 L 4.7031 7.7578 121.2458 57.6193 47.1923 178.9269 25 L 4.0561 7.3859 115.6359 56.8287 41.5836 177.7830 26 Q 4.4594 7.3487 115.0852 54.9832 31.0488 175.5216 27 E 4.7113 7.0860 114.2964 54.0798 30.9839 175.1554 28 D 5.3500 8.2064 129.6901 54.1462 43.1635 175.8852 29 N 4.7664 8.0255 113.5176 54.9630 36.3028 173.9496 30 T 4.4448 6.9840 106.3807 60.0608 70.7503 174.1234 31 E 4.3280 8.3495 122.4522 55.2261 30.8469 177.8650 32 G 3.5966 8.7447 105.7550 48.3354 0.0000 175.0679 33 E 4.0258 8.2729 120.1189 58.6768 29.5561 178.3458 34 A 4.0645 8.7731 122.1991 54.9601 18.3506 179.1046 35 L 3.8683 7.7717 117.9365 59.5338 39.9049 179.1719 36 D 4.6220 7.9623 118.6360 56.8369 40.6976 177.4185 37 K 4.4857 8.3466 118.0203 56.5193 31.8344 177.0403 38 L 4.6781 8.3260 116.6484 54.0091 43.0624 176.4573 39 G 3.7388 8.2752 105.0402 47.2564 0.0000 175.4897 40 L 4.6941 7.5678 117.2924 53.0057 41.6138 176.6307 41 Q 4.2087 7.9989 119.7062 57.9135 29.7979 177.3668 42 R 4.3212 8.0617 115.2378 56.0761 30.3150 175.5612 43 Y 3.4556 7.3381 111.1489 59.9084 38.9200 176.0855 44 C 5.0012 7.7662 129.6880 60.2735 36.8501 174.8163 45 C 4.7238 7.5316 112.5578 58.1430 31.0510 175.4689 46 R 4.1292 7.9796 116.4783 57.8537 29.7874 177.3871 47 R 4.5066 7.9873 115.5878 56.8261 29.7651 177.8123 48 M 4.0624 8.1801 119.8388 57.9827 32.5653 178.0734 49 I 3.6669 7.3901 110.0731 63.2698 38.1582 176.9538 50 L 4.1533 7.2919 122.9440 57.5255 41.9734 177.1356 51 T 4.5324 7.3163 110.3673 62.0197 67.5265 173.2662 52 H 4.8280 8.0278 118.1184 53.8736 31.5638 173.8141 53 V 4.2320 7.7848 123.7892 60.9046 33.5079 176.5394 54 D 4.6460 8.3476 127.9811 54.4378 38.7108 175.4155 55 L 4.6028 7.7309 119.0049 54.6731 42.0054 177.7184 56 I 4.3591 7.7433 122.0472 62.7037 39.2782 177.5919 57 E 4.2003 8.6352 119.6473 59.1974 29.3192 177.5265 58 K 4.3670 8.0199 114.2979 56.6439 33.0377 176.5880 59 L 4.7346 7.6461 121.1221 56.4240 43.5728 178.0413 60 L 4.1095 9.1286 118.3335 57.5460 42.2064 177.6147 61 C 4.4728 7.3720 114.5365 57.9825 28.5716 173.3072 62 Y 4.5401 6.9419 112.0226 59.0461 39.3504 175.9392 63 N 3.8821 7.4147 115.8916 50.9041 37.8546 172.7533 64 P 4.4573 0.0000 0.0000 62.8256 31.4122 176.2533 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 M 8.29 4.37 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 I 8.55 2.78 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.93 0.00 0.00 3 I 8.35 2.95 1.63 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.05 0.65 0.00 0.00 4 P 0.00 4.17 0.00 1.63 1.81 0.00 3.39 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 5 I 7.47 2.92 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.88 0.00 0.00 6 R 8.85 4.11 0.00 2.00 2.01 0.00 3.27 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 7 C 8.08 4.14 0.00 3.00 2.84 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 0.00 0.00 0.00 8 F 8.40 4.77 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.54 0.00 3.96 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 10 C 7.75 4.67 0.00 2.98 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 G 8.19 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 0.00 0.00 0.00 12 K 7.75 4.13 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.52 7.81 13 V 8.39 3.93 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 14 I 8.36 4.50 1.78 0.00 0.00 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 1.28 0.87 0.86 0.00 0.00 15 G 8.12 3.43 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 0.00 16 D 8.11 4.55 0.00 2.83 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 17 K 7.26 4.62 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 W 8.03 5.03 0.00 3.31 2.97 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 19 D 8.56 4.37 0.00 2.87 2.90 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 0.00 0.00 0.00 20 T 7.70 4.26 4.25 0.00 0.00 0.00 0.00 0.00 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 21 Y 7.94 4.15 0.00 3.31 3.04 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 0.00 0.00 0.00 0.00 22 L 7.28 3.41 0.00 0.59 1.04 0.70 0.44 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 23 T 7.00 4.15 4.14 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 1.12 0.00 0.00 24 L 7.76 4.70 0.00 1.44 1.53 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.39 4.06 0.00 1.20 1.58 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.35 4.46 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 27 E 7.09 4.71 0.00 1.78 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 0.00 2.11 2.13 0.00 28 D 8.21 5.35 0.00 2.78 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.77 0.00 2.85 2.83 0.00 0.00 6.95 7.54 0.00 0.00 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 T 6.98 4.44 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 1.30 0.00 0.00 31 E 8.35 4.33 0.00 2.06 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 2.40 2.30 0.00 32 G 8.74 3.60 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 0.00 33 E 8.27 4.03 0.00 2.14 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 2.39 2.33 0.00 34 A 8.77 4.06 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 35 L 7.77 3.87 0.00 2.10 2.16 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.96 4.62 0.00 2.87 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 37 K 8.35 4.49 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 38 L 8.33 4.68 0.00 1.73 1.66 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.28 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 40 L 7.57 4.69 0.00 1.62 1.60 0.88 1.06 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 41 Q 8.00 4.21 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 42 R 8.06 4.32 0.00 1.85 1.93 0.00 3.25 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 43 Y 7.34 3.46 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 44 C 7.77 5.00 0.00 2.98 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 45 C 7.53 4.72 0.00 3.04 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 46 R 7.98 4.13 0.00 1.99 2.35 0.00 2.95 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 47 R 7.99 4.51 0.00 2.07 2.20 0.00 3.00 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 48 M 8.18 4.06 0.00 1.70 2.18 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.45 0.00 49 I 7.39 3.67 1.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.20 0.94 0.00 0.00 50 L 7.29 4.15 0.00 1.76 1.73 0.96 0.95 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 51 T 7.32 4.53 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 1.26 0.00 0.00 52 H 8.03 4.83 0.00 3.09 3.10 0.00 5.75 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 53 V 7.78 4.23 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 0.85 0.00 0.00 0.93 0.00 0.00 54 D 8.35 4.65 0.00 3.02 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 0.00 0.00 0.00 0.00 55 L 7.73 4.60 0.00 1.68 1.68 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.74 4.36 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.95 0.00 0.00 57 E 8.64 4.20 0.00 1.98 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 0.00 2.32 2.38 0.00 58 K 8.02 4.37 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.40 7.81 59 L 7.65 4.73 0.00 1.94 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.13 4.11 0.00 1.79 1.78 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.37 4.47 0.00 3.06 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 62 Y 6.94 4.54 0.00 2.93 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 63 N 7.41 3.88 0.00 2.75 2.78 0.00 0.00 7.09 8.02 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 64 P 0.00 4.46 0.00 2.06 1.98 0.00 3.74 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 2.05 2.11 0.00