NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4268 8.3049 120.3422 56.0892 33.4917 176.9554 2 Q 4.3010 7.1365 117.1541 51.9901 29.3178 173.1368 3 K 4.4296 8.2291 121.5014 56.8480 39.7114 176.8122 4 D 5.0325 7.8149 118.0278 53.3848 39.9368 177.3346 5 L 4.3923 9.0017 126.5101 56.7807 40.1053 176.7361 6 H 3.7619 7.8519 113.8290 57.4780 28.8137 173.4296 7 P 4.3284 0.0000 0.0000 63.4242 30.5152 176.6850 8 K 3.9538 8.6436 122.7608 55.6678 30.3153 175.4153 9 A 4.7878 8.0034 120.5789 51.1070 21.1913 176.9398 10 V 4.4009 8.2729 120.4466 62.2754 32.5038 172.1264 11 P 4.9906 0.0000 0.0000 61.5020 33.6229 174.3411 12 C 3.7749 8.4869 113.5853 59.8331 27.1929 173.6903 13 K 3.4518 9.3842 118.2140 59.6521 30.3613 173.9721 14 I 3.0452 8.6916 122.1955 62.5151 33.3491 171.4338 15 I 4.7259 7.6564 124.0008 59.6765 39.7541 174.7366 16 Y 4.6244 8.5649 125.1378 56.8862 40.7443 175.0266 17 Q 4.7847 8.0961 115.6089 55.5387 33.1387 173.6760 18 G 4.3538 8.3204 109.6002 45.2651 0.0000 171.8186 19 Q 4.7266 7.9728 116.6248 55.3586 32.0090 174.6160 20 V 4.3845 7.9555 113.8062 69.2402 32.4961 176.9951 21 V 3.3578 7.0493 117.3003 60.7869 35.8636 173.4354 22 M 3.2023 9.0541 125.3473 55.0619 30.5760 175.2945 23 E 5.5749 8.8560 126.0536 56.3535 33.6005 178.2716 24 T 3.8200 9.2820 121.0286 64.8624 69.5210 174.2587 25 M 4.3478 8.0730 123.5525 54.6102 31.7040 174.9565 26 S 3.8973 7.8170 117.3337 60.4269 61.2439 169.5974 27 T 3.6512 8.2513 112.4625 61.8917 68.5672 173.8867 28 R 4.0659 8.0597 121.2711 55.5053 31.0349 172.0025 29 P 5.3514 0.0000 0.0000 62.2634 34.8406 173.3105 30 E 4.7475 8.3954 115.5132 55.5617 32.7976 174.1269 31 I 4.2310 8.4157 124.4315 62.3394 38.1129 172.9202 32 H 4.5866 9.0950 120.4491 55.5958 30.4551 175.1128 33 V 3.5833 8.4663 121.6218 63.9885 33.4452 175.7166 34 D 5.3332 7.8659 118.2703 54.3506 42.5586 174.4866 35 V 4.6965 8.0151 120.2993 60.8790 36.0631 174.8991 36 W 5.4666 8.8642 122.7749 55.4049 32.4868 174.6882 37 S 4.6153 9.0850 116.1068 57.9773 65.9188 173.7167 38 G 3.9789 8.6132 109.5358 44.8212 0.0000 172.8833 39 V 4.6665 7.6428 121.4900 63.3221 33.9898 169.8773 40 H 4.9004 8.4828 125.1493 54.7765 33.5358 170.1266 41 P 4.8540 0.0000 0.0000 63.2676 32.4284 177.3795 42 F 4.4485 7.0431 116.2300 56.6529 43.7655 172.0508 43 W 5.7163 7.1368 121.8842 54.9609 30.8981 174.1403 44 T 4.6159 8.8193 110.1292 61.2767 71.6065 172.4312 45 G 4.1936 8.6291 109.1519 45.1631 0.0000 173.0955 46 E 4.8569 9.0988 123.6001 56.0363 33.3129 173.5364 47 E 4.9953 8.8503 116.9015 55.3398 34.4332 174.6474 48 R 4.3514 10.3794 121.5469 56.2003 33.1752 176.2195 49 F 3.7291 10.3483 117.4288 59.8065 35.4085 172.1195 50 L 3.3691 8.4774 125.7438 54.8992 38.5349 174.9973 51 D 4.5897 9.0628 122.8727 51.8386 40.0594 173.5100 52 T 4.2358 9.3475 114.3849 63.0373 65.0419 171.3002 53 E 5.1186 7.2147 122.5775 56.2042 28.6162 176.4130 54 G 4.4778 7.8938 105.5234 44.3072 0.0000 173.3905 55 R 3.9126 6.2660 125.4719 52.7723 28.3731 178.3959 56 V 3.2470 8.1266 120.2591 63.7360 33.2001 170.9780 57 D 5.8500 7.8532 118.0483 52.0028 45.4326 179.1027 58 K 4.1128 8.4058 115.5733 54.9656 35.7085 177.0126 59 F 3.7360 9.1697 109.9253 61.3126 39.6767 177.3110 60 N 4.1012 8.8085 119.9132 57.3642 39.4867 175.4327 61 K 3.7596 9.0990 117.9836 59.8466 31.8203 179.5050 62 R 4.0436 8.4367 121.9228 58.7445 30.8888 178.4417 63 F 4.2629 9.2048 117.5142 58.7515 38.5556 177.0741 64 G 4.0164 6.6151 115.5071 48.5277 0.0000 174.7138 65 D 4.4895 8.3853 120.5530 56.7899 39.8188 178.3644 66 S 4.2786 9.6271 116.2039 60.9527 63.4414 174.5148 67 Y 4.8124 8.3076 117.9548 57.1407 37.7294 177.3195 68 R 4.7110 7.9948 123.8697 57.3559 33.3156 173.9749 69 R 4.6351 8.9364 120.0256 56.4442 32.3674 177.5120 70 G 4.2556 7.5014 102.6082 45.6258 0.0000 172.6038 71 S 4.9576 7.6463 113.7775 59.3757 67.6958 174.5031 72 K 4.4848 7.8972 118.6635 56.4314 35.4229 176.3378 73 K 4.1699 8.6062 120.7682 57.3553 32.3320 176.6011 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 8.30 4.43 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 2 Q 7.14 4.30 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 3 K 8.23 4.43 0.00 1.72 1.93 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 4 D 7.81 5.03 0.00 2.59 1.74 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 5 L 9.00 4.39 0.00 1.90 1.91 0.99 0.74 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 6 H 7.85 3.76 0.00 3.20 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.33 0.00 2.19 2.13 0.00 3.93 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 8 K 8.64 3.95 0.00 2.03 2.02 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.25 7.81 9 A 8.00 4.79 1.17 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 0.00 0.00 10 V 8.27 4.40 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 0.69 0.00 0.00 0.76 0.00 0.00 11 P 0.00 4.99 0.00 2.33 2.12 0.00 3.80 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 1.93 2.32 0.00 12 C 8.49 3.77 0.00 3.06 3.45 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 0.00 0.00 0.00 0.00 13 K 9.38 3.45 0.00 1.88 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.46 7.81 14 I 8.69 3.05 2.17 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 1.13 0.00 0.00 15 I 7.66 4.73 1.57 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.19 -0.12 0.00 0.00 16 Y 8.56 4.62 0.00 2.78 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 17 Q 8.10 4.78 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 18 G 8.32 4.35 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 0.00 0.00 0.00 19 Q 7.97 4.73 0.00 1.91 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.43 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 20 V 7.96 4.38 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 0.81 0.00 0.00 0.85 0.00 0.00 21 V 7.05 3.36 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 0.83 0.00 0.00 0.92 0.00 0.00 22 M 9.05 3.20 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 23 E 8.86 5.57 0.00 1.97 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 2.29 2.25 0.00 24 T 9.28 3.82 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 25 M 8.07 4.35 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 26 S 7.82 3.90 0.00 4.14 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 3.65 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 28 R 8.06 4.07 0.00 1.82 1.96 0.00 3.14 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 29 P 0.00 5.35 0.00 2.02 2.16 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 30 E 8.40 4.75 0.00 2.07 2.06 0.00 0.00 0.00 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 2.42 0.00 31 I 8.42 4.23 1.85 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 1.35 0.83 0.90 0.00 0.00 32 H 9.09 4.59 0.00 3.19 3.07 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.47 3.58 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 0.82 0.00 0.00 0.97 0.00 0.00 34 D 7.87 5.33 0.00 2.67 2.60 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 35 V 8.02 4.70 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 1.08 0.00 0.00 0.93 0.00 0.00 36 W 8.86 5.47 0.00 3.17 3.18 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 37 S 9.08 4.62 0.00 3.84 3.87 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 38 G 8.61 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 39 V 7.64 4.67 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 0.73 0.00 0.00 1.02 0.00 0.00 40 H 8.48 4.90 0.00 3.15 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.85 0.00 2.41 2.32 0.00 3.98 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 2.13 2.28 0.00 42 F 7.04 4.45 0.00 3.09 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 43 W 7.14 5.72 0.00 3.17 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 44 T 8.82 4.62 4.36 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 1.50 0.00 0.00 45 G 8.63 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 46 E 9.10 4.86 0.00 2.01 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 0.00 2.21 2.36 0.00 47 E 8.85 5.00 0.00 1.91 1.80 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 2.21 2.24 0.00 48 R 10.38 4.35 0.00 1.39 1.38 0.00 2.64 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 49 F 10.35 3.73 0.00 3.08 3.14 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 0.00 50 L 8.48 3.37 0.00 1.84 1.75 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 51 D 9.06 4.59 0.00 2.90 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 52 T 9.35 4.24 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 1.13 0.00 0.00 53 E 7.21 5.12 0.00 2.04 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 54 G 7.89 4.48 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 0.00 0.00 0.00 55 R 6.27 3.91 0.00 1.68 1.49 0.00 2.82 0.00 0.00 2.25 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.19 0.00 56 V 8.13 3.25 2.14 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 1.31 0.00 0.00 0.94 0.00 0.00 57 D 7.85 5.85 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.11 0.00 1.88 1.51 0.00 1.11 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.03 1.38 7.81 59 F 9.17 3.74 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 60 N 8.81 4.10 0.00 2.97 2.89 0.00 0.00 6.79 7.50 0.00 0.00 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 K 9.10 3.76 0.00 2.35 2.00 0.00 2.10 0.00 0.00 1.81 0.00 0.00 3.50 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.93 7.81 62 R 8.44 4.04 0.00 1.97 2.07 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.22 0.00 63 F 9.20 4.26 0.00 3.22 2.85 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 64 G 6.62 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 65 D 8.39 4.49 0.00 2.91 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 66 S 9.63 4.28 0.00 4.25 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 67 Y 8.31 4.81 0.00 2.75 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.71 0.00 1.83 2.09 0.00 3.37 0.00 0.00 3.95 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 69 R 8.94 4.64 0.00 1.79 1.96 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 70 G 7.50 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 0.00 0.00 0.00 0.00 71 S 7.65 4.96 0.00 3.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 4.48 0.00 1.86 1.74 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 73 K 8.61 4.17 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.46 7.81