NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7639 8.2833 119.4708 53.7993 40.2276 172.8639 12 Q 5.1817 8.6709 124.8219 52.2963 32.0339 173.5998 13 I 4.7537 9.6899 115.4484 59.3352 41.9717 173.4144 14 N 5.5378 8.7533 120.9781 52.1345 39.9104 174.3452 15 I 4.9124 8.8985 116.2493 59.3786 41.8833 173.6634 16 E 5.4527 8.8233 120.3036 54.7993 33.6923 175.5047 17 I 4.8924 9.0425 121.1958 59.6982 41.2833 174.3804 18 A 5.2724 8.8877 127.3636 50.2320 22.2065 174.6676 19 Y 4.8704 9.0213 121.2647 55.8822 41.9544 173.9188 20 A 4.9639 8.8293 129.2416 50.4349 20.2942 175.7403 21 F 4.8506 8.1006 116.8256 54.1018 41.4109 174.1428 22 P 4.1700 0.0000 0.0000 65.4019 31.0367 177.7382 23 E 4.2341 7.6448 115.0754 57.2099 30.4179 175.8177 24 R 4.2208 6.3466 117.0303 55.0746 33.2599 172.4162 25 Y 4.6696 8.3199 124.0150 56.0747 40.4072 173.8951 26 Y 4.5835 8.5306 129.2544 56.1396 40.6771 174.0024 27 L 4.8326 7.6516 127.5000 53.1096 45.4210 175.1586 28 K 4.2915 8.7787 126.2653 54.7326 35.8316 174.7722 29 S 5.1370 8.1639 122.3766 57.2353 64.7546 173.4413 30 F 5.0161 9.1205 120.9938 56.0991 43.7863 173.2848 31 Q 5.2236 8.8385 119.6838 54.5953 30.7454 175.3835 32 V 4.6482 8.6174 115.5788 59.2267 37.1749 174.4566 33 D 4.8225 8.6590 121.8435 54.3136 41.5653 175.8467 34 E 3.9044 8.6581 124.4038 58.1847 29.9961 177.3812 35 G 3.9788 8.9010 113.6835 45.0410 0.0000 173.6035 36 I 3.6921 7.1701 119.9650 61.4059 38.6167 176.1307 37 T 4.3494 8.1533 117.1223 60.6995 71.3838 175.9450 38 V 3.5446 8.2317 120.6402 66.3856 31.3624 177.8493 39 Q 3.9423 7.9863 118.5893 59.4862 28.9816 178.1965 40 T 3.8022 7.7881 116.2157 66.4462 68.4865 176.4471 41 A 3.8754 7.9009 122.6998 55.1724 18.1444 179.8125 42 I 3.5470 7.4998 117.2192 64.7246 37.4137 178.4390 43 T 3.9454 8.0174 110.8307 64.9521 68.2744 176.1357 44 Q 3.9202 8.3804 121.9974 58.7318 29.1048 178.1209 45 S 3.9703 7.6240 114.1858 58.9458 63.4145 175.4426 46 G 3.9048 7.8631 110.4529 46.0877 0.0000 175.1510 47 I 3.7145 7.8623 121.1023 63.9944 37.6013 177.8722 48 L 3.9945 7.7373 118.6475 57.3954 41.5727 179.1048 49 S 4.1901 7.8328 114.3221 61.5279 63.0051 175.8377 50 Q 3.9091 7.6550 121.0037 57.4555 29.8814 176.0941 51 F 4.6468 7.8596 119.0709 54.0238 39.4767 173.3303 52 P 4.4025 0.0000 0.0000 65.0989 31.3675 178.4427 53 E 4.0726 8.0258 115.6545 58.0888 29.8914 177.1479 54 I 3.7537 7.4584 121.9247 61.1596 37.5369 174.7335 55 D 4.7970 9.3386 125.0491 52.0699 42.7092 176.5105 56 L 3.9959 8.6718 127.4068 57.0117 41.7947 178.1152 57 S 4.6056 8.2989 111.5860 58.6395 63.9615 174.8797 58 T 4.4413 7.7116 116.0896 64.7297 70.6711 174.6065 59 N 4.5736 8.1718 117.6930 52.8488 39.1273 174.9171 60 K 4.2642 8.4289 121.0119 56.3108 32.9156 176.9230 61 I 4.5936 8.2661 123.2718 59.7105 40.4036 174.6530 62 G 4.3296 8.6253 112.8384 43.7683 0.0000 171.1774 63 I 4.5351 8.1782 118.9620 59.2251 39.8012 175.0588 64 F 4.7170 8.9486 127.7633 56.8243 40.2821 174.7602 65 S 4.5106 7.4719 123.4314 56.5946 65.4714 173.5338 66 R 4.4485 7.8398 122.1794 54.2689 32.7750 172.6541 67 P 4.3150 0.0000 0.0000 62.8590 31.7263 176.2271 68 I 4.1497 7.9966 114.6756 60.1056 39.3494 174.5649 69 K 4.6398 8.5470 119.1954 54.2990 33.8305 178.0889 70 L 4.0129 8.5410 122.6800 57.5479 41.6933 178.2965 71 T 4.2215 7.7131 106.6782 62.1793 69.5354 174.8284 72 D 4.3388 7.8061 122.8402 54.9477 41.3197 176.1900 73 V 4.0090 8.1356 123.0362 61.6336 32.4635 175.7392 74 L 4.3287 8.3966 127.2023 54.7227 42.3757 176.4548 75 K 4.5956 9.0656 121.6483 53.8667 34.6680 175.4737 76 E 3.8726 8.6683 120.9558 58.3849 29.5497 177.5510 77 G 3.9549 8.9744 113.0863 45.6398 0.0000 173.0145 78 D 4.3634 8.1835 120.4190 54.0538 41.1876 175.7176 79 R 4.4379 8.4178 124.1167 54.3639 31.1452 175.3252 80 I 3.9636 8.3315 127.1730 60.8831 37.5331 175.1413 81 E 4.3955 8.6948 125.4158 54.4778 30.8693 175.3399 82 I 4.0768 7.9286 125.0837 59.8252 38.4938 174.8939 83 Y 4.6503 7.9702 122.9412 56.3993 39.4580 175.4998 84 R 4.2078 8.4862 122.4100 54.9917 30.9185 174.9816 85 P 4.3015 0.0000 0.0000 62.9298 31.8800 176.3292 86 L 4.2427 8.3369 121.5850 54.7955 42.4203 177.1979 87 L 4.3028 8.2749 119.3776 55.0257 41.8720 176.6969 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 11 N 8.28 4.76 0.00 2.83 2.81 0.00 0.00 6.90 6.49 0.00 0.00 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 Q 8.67 5.18 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 13 I 9.69 4.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.92 0.00 0.00 14 N 8.75 5.54 0.00 2.65 2.82 0.00 0.00 6.71 7.45 0.00 0.00 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 I 8.90 4.91 1.96 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 1.34 1.03 0.96 0.00 0.00 16 E 8.82 5.45 0.00 1.92 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 2.21 2.36 0.00 17 I 9.04 4.89 2.24 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.09 1.05 0.00 0.00 18 A 8.89 5.27 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.02 4.87 0.00 2.83 2.63 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 20 A 8.83 4.96 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 21 F 8.10 4.85 0.00 3.09 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 2.09 2.17 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 23 E 7.64 4.23 0.00 1.91 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 0.00 2.33 2.36 0.00 24 R 6.35 4.22 0.00 1.64 1.16 0.00 3.22 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 25 Y 8.32 4.67 0.00 2.81 2.80 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 26 Y 8.53 4.58 0.00 3.22 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 27 L 7.65 4.83 0.00 1.27 1.27 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.78 4.29 0.00 1.35 1.41 0.00 1.91 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.44 1.06 7.81 29 S 8.16 5.14 0.00 3.62 3.68 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 30 F 9.12 5.02 0.00 2.98 2.88 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 31 Q 8.84 5.22 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 32 V 8.62 4.65 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 0.69 0.00 0.00 0.95 0.00 0.00 33 D 8.66 4.82 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.66 3.90 0.00 2.00 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 2.34 2.31 0.00 35 G 8.90 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 0.00 0.00 0.00 36 I 7.17 3.69 1.98 0.00 0.00 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 1.33 0.83 0.91 0.00 0.00 37 T 8.15 4.35 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 1.20 0.00 0.00 38 V 8.23 3.54 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 1.03 0.00 0.00 0.94 0.00 0.00 39 Q 7.99 3.94 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 T 7.79 3.80 4.34 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 1.21 0.00 0.00 41 A 7.90 3.88 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 42 I 7.50 3.55 1.97 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 1.56 0.73 0.86 0.00 0.00 43 T 8.02 3.95 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 1.22 0.00 0.00 44 Q 8.38 3.92 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 45 S 7.62 3.97 0.00 3.76 3.57 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 46 G 7.86 3.90 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 0.00 0.00 0.00 47 I 7.86 3.71 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.34 0.89 0.00 0.00 48 L 7.74 3.99 0.00 1.60 1.65 0.87 0.79 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 49 S 7.83 4.19 0.00 3.76 3.85 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 50 Q 7.65 3.91 0.00 1.78 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 51 F 7.86 4.65 0.00 2.73 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 52 P 0.00 4.40 0.00 2.13 2.14 0.00 3.68 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 1.95 1.90 0.00 53 E 8.03 4.07 0.00 2.10 2.12 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 2.27 2.30 0.00 54 I 7.46 3.75 1.67 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.08 0.74 0.00 0.00 55 D 9.34 4.80 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 4.00 0.00 1.65 1.71 0.89 0.90 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 57 S 8.30 4.61 0.00 3.97 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 58 T 7.71 4.44 4.31 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 1.22 0.00 0.00 59 N 8.17 4.57 0.00 2.79 2.79 0.00 0.00 7.09 8.27 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 60 K 8.43 4.26 0.00 1.80 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 61 I 8.27 4.59 1.89 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 1.37 0.62 0.94 0.00 0.00 62 G 8.63 4.33 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 63 I 8.18 4.54 1.90 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 1.33 1.01 0.93 0.00 0.00 64 F 8.95 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 65 S 7.47 4.51 0.00 3.65 3.56 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 66 R 7.84 4.45 0.00 1.47 1.76 0.00 3.44 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 67 P 0.00 4.32 0.00 2.21 2.05 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 68 I 8.00 4.15 2.00 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 1.38 0.47 0.83 0.00 0.00 69 K 8.55 4.64 0.00 2.03 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.36 7.81 70 L 8.54 4.01 0.00 1.63 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.71 4.22 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 72 D 7.81 4.34 0.00 2.77 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 73 V 8.14 4.01 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 0.80 0.00 0.00 0.93 0.00 0.00 74 L 8.40 4.33 0.00 1.67 1.58 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 K 9.07 4.60 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.33 7.81 76 E 8.67 3.87 0.00 1.90 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 2.31 2.41 0.00 77 G 8.97 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.18 4.36 0.00 2.77 2.63 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 79 R 8.42 4.44 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 80 I 8.33 3.96 1.85 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 1.40 0.64 0.87 0.00 0.00 81 E 8.69 4.40 0.00 1.86 1.56 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 2.24 2.42 0.00 82 I 7.93 4.08 1.77 0.00 0.00 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 1.35 0.43 0.87 0.00 0.00 83 Y 7.97 4.65 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 84 R 8.49 4.21 0.00 1.85 1.90 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 85 P 0.00 4.30 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 86 L 8.34 4.24 0.00 1.63 1.59 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.27 4.30 0.00 1.59 1.54 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00