NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4374 8.3349 115.4117 58.4580 63.2499 172.9601 3 K 4.0636 8.2299 127.4060 56.1560 33.8767 177.2689 4 G 3.6738 8.3582 108.9794 47.3884 0.0000 173.0827 5 H 4.8124 8.6590 121.7864 55.6598 28.4260 176.7995 6 S 4.2987 8.1456 116.7787 60.2823 62.8109 174.8096 7 L 4.4885 7.6202 122.7291 56.7639 43.2814 177.4867 8 Q 3.9174 7.9896 118.8539 59.3289 28.8651 177.9893 9 D 4.3749 8.1951 119.6128 57.0605 40.9547 176.9154 10 P 4.2271 0.0000 0.0000 65.6804 31.3736 177.9243 11 Y 3.9369 7.9852 118.1494 60.7933 38.7853 178.2621 12 L 3.7712 8.1639 120.0347 57.7451 41.5709 179.0458 13 N 4.5815 8.7561 117.6502 57.0220 38.8274 177.0704 14 T 3.8215 8.4275 117.5005 66.6466 68.5898 176.6672 15 L 3.8984 7.7077 120.8251 57.6690 41.4091 179.4938 16 R 4.1171 7.8984 120.1814 58.6303 29.9508 178.3109 17 K 3.8095 8.0703 117.7258 59.6445 32.2093 177.9005 18 E 4.2729 8.0832 114.5873 55.6689 29.7393 176.2418 19 R 3.7492 7.8497 117.4289 57.0061 28.3100 176.6369 20 V 3.8682 7.6684 116.9729 61.8853 32.5530 174.2337 21 P 4.6436 0.0000 0.0000 62.9919 32.5021 175.7547 22 V 4.9714 9.1044 116.7855 59.7332 36.5306 174.3848 23 S 5.1424 8.7250 118.0477 56.9246 65.5795 173.2967 24 I 4.8408 8.7955 125.6099 59.8401 39.5551 174.0843 25 Y 4.7936 9.0633 125.7343 56.7037 39.6321 175.1666 26 L 4.8432 8.9161 124.9377 53.4900 43.1721 178.1535 27 V 3.7638 8.7116 122.7471 66.1308 31.4981 176.6875 28 N 4.6620 8.1639 114.5800 52.7572 37.1805 175.8205 29 G 4.0690 8.5750 109.1941 45.6080 0.0000 174.5491 30 I 3.9537 7.9365 120.9609 61.1380 38.4679 174.9838 31 K 4.6109 8.4560 126.3995 54.6498 34.0904 175.0443 32 L 4.7554 8.6561 127.7578 53.4100 44.1283 175.6746 33 Q 4.9108 9.4984 119.5044 53.7454 32.7967 176.6264 34 G 3.8378 6.9297 107.3639 45.9398 0.0000 171.1706 35 Q 4.8379 8.1219 120.0675 53.9866 32.6130 175.6069 36 I 4.2684 8.3132 123.5901 61.1325 36.8753 176.0476 37 E 4.0766 9.0498 130.0223 58.9621 30.4056 176.1669 38 S 4.5699 7.6423 111.8184 58.0486 65.1336 173.5927 39 F 5.1149 7.7044 115.3841 56.4660 39.7129 173.3493 40 D 4.4561 8.6680 120.6454 52.4596 41.3513 174.5292 41 Q 3.8804 8.7437 117.9694 58.8998 29.2774 178.1840 42 F 4.9913 9.1938 115.8152 57.8592 41.2351 175.3463 43 V 5.0282 7.8001 111.5061 59.6111 36.5326 174.4362 44 I 5.0243 8.8522 122.4282 59.6509 40.9413 174.9340 45 L 4.7433 9.1410 127.4502 53.5942 42.9226 175.3379 46 L 4.9194 8.8909 128.2173 53.3479 43.8628 175.0208 47 K 4.6651 9.4193 129.4864 54.1976 33.2119 174.1144 48 N 5.0911 8.8498 127.1042 53.7021 38.3929 176.4100 49 T 4.7715 8.6485 102.4543 59.1329 69.4350 174.0498 50 V 4.4672 7.3894 129.1872 60.3892 32.9343 176.6768 51 S 4.7861 8.8299 125.3314 59.3341 62.4987 173.4938 52 Q 4.7376 9.0076 126.3944 54.5789 31.3487 174.1438 53 M 4.7453 8.5390 121.4440 54.4901 33.7030 174.9786 54 V 4.4445 8.9480 126.7119 61.1524 34.3507 174.3095 55 Y 4.5753 8.7150 125.9538 57.4277 38.6481 176.8047 56 K 4.0234 9.1167 124.9537 59.4138 32.3691 179.0884 57 A 4.0802 8.2881 119.9597 54.1484 18.5597 177.5167 58 A 4.5928 8.1682 117.8882 51.8829 19.6015 176.2752 59 I 4.7105 7.6183 118.3615 60.4232 38.4634 175.7435 60 S 4.6365 9.0852 121.6062 60.5091 63.5111 174.3654 61 T 4.7893 7.7959 110.4895 59.0585 72.5684 171.9446 62 V 4.7432 8.4562 122.4581 61.3065 34.0669 174.9624 63 V 4.4039 8.8428 128.4211 60.2449 32.8572 172.8702 64 P 4.8065 0.0000 0.0000 62.5836 32.1849 177.5251 65 S 4.4296 8.7733 117.1398 59.9774 63.4676 174.0294 66 R 4.6498 7.5360 116.2479 53.9157 32.2819 172.8774 67 P 4.3076 0.0000 0.0000 63.1439 31.8889 176.0560 68 V 4.3338 7.9929 119.3756 61.0075 34.1603 175.0881 69 R 4.2762 8.5614 126.1680 55.3880 30.8087 175.5801 70 L 4.6841 8.2485 122.8861 52.1030 43.4727 174.6964 71 P 4.3600 0.0000 0.0000 62.5856 32.0545 176.3684 72 S 4.3602 8.5516 115.7011 58.4196 62.3331 173.6159 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 S 8.33 4.44 0.00 3.99 3.98 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 3 K 8.23 4.06 0.00 1.91 1.87 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.49 7.81 4 G 8.36 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.66 4.81 0.00 3.22 3.56 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.15 4.30 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.49 0.00 1.73 1.62 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.99 3.92 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 9 D 8.20 4.37 0.00 2.90 2.82 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 0.00 0.00 0.00 0.00 10 P 0.00 4.23 0.00 2.21 2.14 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 11 Y 7.99 3.94 0.00 3.18 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 12 L 8.16 3.77 0.00 0.76 0.64 0.51 0.68 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 13 N 8.76 4.58 0.00 3.20 2.88 0.00 0.00 7.27 6.33 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 14 T 8.43 3.82 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 1.14 0.00 0.00 15 L 7.71 3.90 0.00 1.73 1.61 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.90 4.12 0.00 2.11 2.19 0.00 3.30 0.00 0.00 3.43 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 17 K 8.07 3.81 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.71 7.81 18 E 8.08 4.27 0.00 1.93 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 2.28 2.48 0.00 19 R 7.85 3.75 0.00 1.90 2.15 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 20 V 7.67 3.87 2.01 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.64 0.00 2.11 1.95 0.00 3.57 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.10 4.97 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 0.91 0.00 0.00 0.99 0.00 0.00 23 S 8.72 5.14 0.00 3.89 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 24 I 8.80 4.84 1.85 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 1.26 0.84 0.94 0.00 0.00 25 Y 9.06 4.79 0.00 2.96 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 26 L 8.92 4.84 0.00 1.73 1.61 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.71 3.76 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 0.79 0.00 0.00 0.96 0.00 0.00 28 N 8.16 4.66 0.00 2.87 2.91 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.57 4.07 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 0.00 0.00 0.00 30 I 7.94 3.95 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.89 0.00 0.00 31 K 8.46 4.61 0.00 1.23 1.47 0.00 1.38 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.03 0.69 7.81 32 L 8.66 4.76 0.00 1.56 1.51 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.50 4.91 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 34 G 6.93 3.84 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 0.00 0.00 0.00 35 Q 8.12 4.84 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 36 I 8.31 4.27 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.09 1.05 0.00 0.00 37 E 9.05 4.08 0.00 2.01 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 2.32 2.26 0.00 38 S 7.64 4.57 0.00 3.81 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 39 F 7.70 5.11 0.00 3.19 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 40 D 8.67 4.46 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 41 Q 8.74 3.88 0.00 1.70 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 1.53 2.16 0.00 42 F 9.19 4.99 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 5.03 1.89 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 0.29 0.00 0.00 0.97 0.00 0.00 44 I 8.85 5.02 1.89 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 1.29 1.03 1.00 0.00 0.00 45 L 9.14 4.74 0.00 1.62 1.62 0.96 0.29 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 46 L 8.89 4.92 0.00 1.74 1.54 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.42 4.67 0.00 1.84 1.76 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 N 8.85 5.09 0.00 2.89 1.84 0.00 0.00 6.26 7.83 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 49 T 8.65 4.77 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 50 V 7.39 4.47 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 1.06 0.00 0.00 0.93 0.00 0.00 51 S 8.83 4.79 0.00 3.88 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 52 Q 9.01 4.74 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 53 M 8.54 4.75 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 54 V 8.95 4.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 55 Y 8.72 4.58 0.00 3.19 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 56 K 9.12 4.02 0.00 2.05 1.94 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 57 A 8.29 4.08 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 58 A 8.17 4.59 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 59 I 7.62 4.71 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.99 0.00 0.00 60 S 9.09 4.64 0.00 3.86 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 61 T 7.80 4.79 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 1.16 0.00 0.00 62 V 8.46 4.74 2.19 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 0.92 0.00 0.00 0.98 0.00 0.00 63 V 8.84 4.40 2.28 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 0.99 0.00 0.00 1.05 0.00 0.00 64 P 0.00 4.81 0.00 2.26 1.90 0.00 3.76 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 65 S 8.77 4.43 0.00 3.90 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 66 R 7.54 4.65 0.00 2.02 1.89 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 67 P 0.00 4.31 0.00 2.06 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 V 7.99 4.33 2.01 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 0.62 0.00 0.00 0.84 0.00 0.00 69 R 8.56 4.28 0.00 1.81 1.85 0.00 3.24 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 70 L 8.25 4.68 0.00 1.65 1.63 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.36 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 72 S 8.55 4.36 0.00 3.83 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