NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0025 8.3393 109.7364 45.8304 0.0000 171.7526 2 S 4.5055 8.4377 120.1297 56.8735 69.3687 173.4370 3 S 4.7845 8.1550 112.9219 55.5588 66.6630 174.3293 4 G 4.0207 8.1201 108.5240 44.0557 0.0000 172.2425 5 S 4.6419 7.8325 117.0524 57.9918 64.9122 175.9012 6 S 4.8476 8.7752 122.2252 56.7537 65.0105 172.2735 7 G 3.7039 7.6235 107.5763 42.5557 0.0000 171.2600 8 A 3.3940 8.4874 135.0000 51.8683 15.6874 177.2964 9 R 3.7422 8.4276 121.4800 56.2995 29.6792 176.4156 10 A 4.2749 8.1383 120.5609 52.0380 21.2146 171.5714 11 C 3.7984 9.2936 131.6318 59.2780 32.7526 173.2030 12 S 4.4918 8.0102 116.9344 57.8313 62.9876 173.6815 13 Q 4.1412 8.3297 126.7989 55.4270 29.6367 175.9410 14 S 4.5585 8.0336 118.1255 56.2676 62.9148 172.5810 15 S 4.6396 7.9760 118.2598 58.0317 66.2398 173.8416 16 Q 4.7016 8.0909 125.0749 57.3967 36.9800 175.7639 17 T 4.0961 7.8176 114.9382 65.3184 69.2774 175.6986 18 A 4.2188 7.8004 123.3622 52.0680 19.0304 176.3665 19 L 4.7895 7.7993 119.0270 52.0025 45.3890 176.0097 20 P 4.4279 0.0000 0.0000 62.6971 29.7734 174.2061 21 T 4.4015 7.7993 122.5824 62.0889 69.8310 176.2592 22 S 4.1875 8.6614 121.8123 60.9924 63.4362 174.9488 23 L 4.9911 7.7889 119.2794 54.9711 41.5961 176.7084 24 F 4.8639 7.9336 120.5828 58.1149 40.4893 175.6805 25 T 4.2068 7.5162 108.5515 62.5495 70.3155 175.4302 26 E 4.3017 8.2543 119.4737 56.9745 29.7245 176.8482 27 G 4.1241 7.6624 105.9791 45.2385 0.0000 175.0100 28 R 3.9424 7.4522 118.2675 57.8582 31.1549 178.8227 29 Y 5.6674 6.6577 117.3743 56.6988 38.8470 178.1816 30 Q 3.9438 7.9980 122.1691 59.6642 29.4409 176.9095 31 Q 4.0226 8.0694 118.4326 58.8915 28.7725 178.0784 32 E 4.0556 8.1298 120.4348 58.9382 29.5023 178.9821 33 L 3.9559 7.9655 118.4768 58.4204 41.5541 179.8063 34 E 4.0476 7.7847 116.7138 59.2764 29.3280 178.9397 35 E 4.0953 8.4975 119.1542 59.5514 29.5772 179.1213 36 L 4.2799 8.0326 118.3331 58.0839 41.4657 179.3164 37 K 4.7583 8.1203 118.7711 57.8825 32.0875 177.4361 38 A 4.6039 8.9529 119.7741 53.5757 20.6821 177.8933 39 L 4.2649 8.0716 116.3188 56.1048 42.1162 178.1206 40 G 4.1933 7.2055 119.0512 45.5363 0.0000 171.4694 41 F 4.6151 8.1399 120.5617 58.7564 42.5653 173.5323 42 A 4.3678 8.5552 129.2154 52.8309 21.2422 177.5046 43 N 4.6134 7.6018 115.4950 53.5118 36.3289 174.7143 44 R 3.8825 8.3679 124.7503 59.2600 30.3601 176.7385 45 D 4.8230 8.2143 117.4890 57.6910 40.8854 179.1904 46 A 3.9715 9.4973 121.8388 55.3470 18.3991 179.2908 47 N 4.0993 9.1777 115.8455 56.5165 38.4580 177.1632 48 L 3.9780 9.0544 122.7762 57.8622 42.0555 178.4744 49 Q 3.7610 8.8623 119.5089 59.3720 28.9331 179.4153 50 A 4.0231 8.1753 121.4395 55.0340 18.4344 179.1333 51 L 3.6644 7.9092 117.8268 58.3655 41.7286 180.1410 52 V 3.4320 8.5351 112.1968 64.7251 31.2861 178.6506 53 A 4.1102 7.4732 118.5436 54.3250 18.1554 178.6654 54 T 4.3543 7.3018 106.3872 61.3038 69.4604 174.4460 55 D 4.3476 8.2488 118.1342 55.7327 40.0569 174.1833 56 G 2.3269 8.8997 104.3182 45.3740 0.0000 175.0890 57 D 4.4435 7.6126 121.1130 51.9980 39.9131 175.8585 58 I 3.4160 7.9047 125.8193 64.3505 37.4460 176.0343 59 H 4.4640 8.3066 115.7599 59.4643 28.7016 177.3736 60 A 4.6293 8.4854 122.4524 54.2886 18.2228 179.4423 61 A 3.8213 8.3348 120.1761 55.6591 18.3921 179.1710 62 I 3.3664 8.7343 119.1878 64.4685 37.1055 177.8957 63 E 3.9697 8.1260 116.7455 60.4689 29.3729 179.5769 64 M 4.1145 7.9880 119.1411 57.5350 31.7791 178.1584 65 L 4.4391 8.1694 117.5230 56.1349 42.1569 178.4101 66 L 4.4050 8.4369 118.7616 55.2538 41.7901 177.2256 67 G 4.1953 7.5995 106.9478 46.1298 0.0000 174.5168 68 A 4.6553 7.3761 119.4146 50.4519 17.9714 177.1680 69 S 4.0407 7.5045 118.9961 59.5364 63.4056 174.3352 70 G 4.0535 7.8251 110.9014 45.0669 0.0000 172.3682 71 P 4.5108 0.0000 0.0000 61.9584 33.0617 176.2635 72 S 4.7066 7.8953 113.0634 57.1904 65.6776 172.1654 73 S 4.5368 7.9404 124.3290 58.2554 67.4682 176.4832 74 G 3.5407 8.3077 114.4117 44.9442 0.0000 171.9905 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 G 8.34 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 2 S 8.44 4.51 0.00 4.01 3.91 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 0.00 0.00 0.00 3 S 8.15 4.78 0.00 3.95 3.86 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 4 G 8.12 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.83 4.64 0.00 3.79 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 6 S 8.78 4.85 0.00 3.85 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 7 G 7.62 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.39 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 9 R 8.43 3.74 0.00 1.97 1.95 0.00 3.38 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 1.54 1.55 0.00 10 A 8.14 4.27 1.20 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 0.00 0.00 11 C 9.29 3.80 0.00 3.12 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 12 S 8.01 4.49 0.00 3.81 3.71 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 13 Q 8.33 4.14 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 14 S 8.03 4.56 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.64 0.00 4.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 4.70 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 17 T 7.82 4.10 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 1.21 0.00 0.00 18 A 7.80 4.22 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 19 L 7.80 4.79 0.00 1.38 1.42 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.15 2.08 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 21 T 7.80 4.40 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 1.22 0.00 0.00 22 S 8.66 4.19 0.00 4.02 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.99 0.00 1.71 1.75 0.93 0.75 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 24 F 7.93 4.86 0.00 2.81 2.98 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 25 T 7.52 4.21 4.29 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 1.29 0.00 0.00 26 E 8.25 4.30 0.00 1.98 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 2.32 2.50 0.00 27 G 7.66 4.12 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 0.00 0.00 0.00 28 R 7.45 3.94 0.00 1.10 0.66 0.00 2.90 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.00 29 Y 6.66 5.67 0.00 2.93 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 30 Q 8.00 3.94 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 31 Q 8.07 4.02 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 32 E 8.13 4.06 0.00 2.26 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 2.36 2.29 0.00 33 L 7.97 3.96 0.00 1.85 1.77 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.78 4.05 0.00 2.15 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 2.36 2.50 0.00 35 E 8.50 4.10 0.00 2.11 1.99 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 2.32 2.41 0.00 36 L 8.03 4.28 0.00 1.65 1.53 0.74 0.08 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 37 K 8.12 4.76 0.00 1.91 2.11 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.36 7.81 38 A 8.95 4.60 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 39 L 8.07 4.26 0.00 2.00 1.94 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.21 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 0.00 0.00 0.00 0.00 41 F 8.14 4.62 0.00 3.03 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 42 A 8.56 4.37 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 43 N 7.60 4.61 0.00 2.82 2.80 0.00 0.00 6.85 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 44 R 8.37 3.88 0.00 1.93 1.94 0.00 3.29 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 45 D 8.21 4.82 0.00 2.81 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 46 A 9.50 3.97 1.36 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 0.00 0.00 47 N 9.18 4.10 0.00 2.64 2.78 0.00 0.00 6.82 6.76 0.00 0.00 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 9.05 3.98 0.00 1.79 1.75 1.18 0.64 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 49 Q 8.86 3.76 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 50 A 8.18 4.02 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 51 L 7.91 3.66 0.00 1.75 1.33 0.83 0.59 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 52 V 8.54 3.43 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 1.05 0.00 0.00 1.02 0.00 0.00 53 A 7.47 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.35 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 1.19 0.00 0.00 55 D 8.25 4.35 0.00 2.81 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 56 G 8.90 2.33 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 0.00 57 D 7.61 4.44 0.00 2.82 2.53 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 58 I 7.90 3.42 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.69 0.00 0.00 59 H 8.31 4.46 0.00 3.36 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.49 4.63 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 61 A 8.33 3.82 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 62 I 8.73 3.37 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.84 1.14 0.00 0.00 63 E 8.13 3.97 0.00 2.24 2.27 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 2.45 2.44 0.00 64 M 7.99 4.11 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 65 L 8.17 4.44 0.00 1.40 1.83 0.37 1.18 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 66 L 8.44 4.40 0.00 1.79 1.78 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.60 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 0.00 0.00 0.00 0.00 68 A 7.38 4.66 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 69 S 7.50 4.04 0.00 3.85 3.86 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 70 G 7.83 4.05 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 0.00 0.00 0.00 71 P 0.00 4.51 0.00 2.19 2.06 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 72 S 7.90 4.71 0.00 3.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.54 0.00 3.95 3.88 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 0.00 0.00 0.00 74 G 8.31 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00