NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4340 8.3349 115.5502 58.1700 63.5915 172.9320 3 L 4.4015 9.1203 127.2533 52.8394 44.1820 174.1559 4 N 5.2415 9.8573 120.9771 52.3185 42.3735 172.7011 5 I 4.9858 8.5369 127.1702 59.7161 40.7906 175.0581 6 H 5.1121 9.1608 122.7045 55.5981 30.4444 174.3546 7 I 5.4211 8.6257 121.9045 58.7216 40.5377 174.7726 8 K 5.4677 8.5687 124.0076 53.8237 36.2825 175.3653 9 S 4.6925 8.5943 118.5250 57.4201 68.2498 178.4204 10 G 3.5948 8.4211 110.8864 46.9573 0.0000 176.4845 11 Q 4.6289 8.9733 121.3300 54.4597 29.6127 176.0445 12 D 4.6360 8.1387 118.7888 53.3178 42.8813 175.8176 13 K 5.4257 7.0589 119.0343 53.7728 36.5835 175.6639 14 W 5.1037 8.4136 119.5594 55.7323 33.6164 173.3139 15 E 5.0854 8.9361 124.6904 55.3252 30.8788 175.4594 16 V 4.6857 8.6018 117.6424 59.8342 36.4896 174.0814 17 N 5.2990 8.7783 120.9258 52.6617 39.9384 174.8291 18 V 4.5349 8.7033 121.8764 61.2337 35.7731 173.5373 19 A 4.3312 8.6192 129.0123 51.1477 19.1696 176.4368 20 P 4.0597 0.0000 0.0000 65.3263 31.5573 177.7073 21 E 4.6613 7.8384 112.7515 55.9044 30.0693 176.0998 22 S 4.2514 7.9813 116.2187 58.9734 63.5382 174.3532 23 T 4.4982 8.1836 114.2417 61.5372 70.7356 175.6317 24 V 3.8843 8.4148 120.0158 65.7242 31.3678 177.7345 25 L 3.9461 7.8836 120.0304 58.0031 41.8898 178.8080 26 Q 4.5472 8.2753 119.5136 58.6200 28.7682 178.5920 27 F 4.4952 8.2737 121.4728 61.3964 39.2095 177.3687 28 K 3.8165 8.1871 119.4993 58.9385 32.0113 178.8125 29 E 3.8497 8.2078 118.6553 59.7143 29.2209 179.6227 30 A 4.0070 8.1564 119.3883 55.3816 18.6708 179.2049 31 I 3.5806 7.7257 118.1750 64.3958 37.1337 177.7587 32 N 4.2757 8.1672 117.5879 57.0041 38.6490 176.6947 33 K 3.9431 8.2023 119.1767 58.4901 32.1525 176.3907 34 A 4.7818 8.3322 122.2760 51.3995 19.5519 176.0031 35 N 4.2554 8.3527 114.2034 54.4497 40.8510 174.6972 36 G 4.0104 8.1058 114.9037 43.9424 0.0000 173.1695 37 I 3.3861 6.7007 124.4389 58.7253 36.3712 174.1730 38 P 4.2734 0.0000 0.0000 62.4135 31.9317 177.1566 39 V 3.2673 8.2576 120.3250 66.6247 31.6153 177.5988 40 A 4.1778 7.9148 119.5513 53.6970 18.3314 177.0819 41 N 4.9875 8.2143 113.5002 53.5442 41.7071 174.4432 42 Q 4.2643 8.2314 118.2412 55.7033 29.5377 175.3840 43 R 4.5585 8.8654 126.8046 54.8009 31.7829 174.9132 44 L 5.0155 8.3707 127.2510 53.4918 43.7108 175.5406 45 I 5.4280 8.8713 125.4649 58.8737 39.9153 174.1265 46 Y 4.8596 8.3156 127.3963 56.2368 42.2426 175.1264 47 S 3.6097 8.9510 120.5172 59.6658 60.4201 173.1531 48 G 3.9423 8.0686 104.1848 45.6272 0.0000 172.9097 49 K 4.6603 7.9802 118.7050 54.1457 35.3422 174.9711 50 I 4.4434 8.1364 121.7544 59.9287 38.6869 175.2426 51 L 3.7783 8.8022 129.1164 54.5475 42.1487 176.9101 52 K 4.5115 9.3400 124.0114 55.2428 34.1057 177.6085 53 D 4.5651 8.9045 122.8268 56.5357 42.0371 177.2406 54 D 5.2987 8.0011 116.3578 53.6368 40.2468 176.4774 55 Q 4.9025 7.7212 116.3181 54.9169 32.6138 175.6493 56 T 4.4280 8.2785 112.4181 61.2991 69.8751 175.7172 57 V 3.9046 8.4632 124.7772 65.9021 31.3726 177.5957 58 E 4.2842 7.9461 116.3980 57.6156 29.6650 178.5481 59 S 3.9032 8.1216 115.4917 61.0505 62.9087 175.0013 60 Y 4.4062 7.4251 117.1410 57.4783 37.6975 175.9313 61 H 4.2445 7.9197 115.9738 56.4215 26.7932 174.4519 62 I 3.1575 6.9026 120.8648 61.7666 36.4027 176.2574 63 Q 4.1927 8.1639 124.5096 54.5825 29.6127 175.2558 64 D 4.3170 8.3373 119.3755 56.1096 41.4772 176.9560 65 G 4.0548 8.8433 113.8721 45.8885 0.0000 173.0399 66 H 4.8807 7.8084 115.9609 55.0780 30.9038 174.2618 67 S 5.2563 8.6729 116.4593 57.4845 64.3730 173.7270 68 V 4.7081 8.8467 124.8748 61.6077 33.5437 174.6602 69 H 4.8930 9.3974 125.3511 55.3681 30.4997 174.2569 70 L 4.9903 9.2190 123.9508 53.5462 43.9546 175.8306 71 V 4.2903 8.6644 128.2465 61.1747 32.9299 175.1331 72 K 4.6847 8.6435 127.9652 56.6721 32.7843 176.5126 73 S 4.6218 9.2230 119.1931 57.4634 67.7597 174.3712 74 Q 4.2843 8.8884 118.8629 56.4716 28.2287 173.6477 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 4.43 0.00 3.88 3.82 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 3 L 9.12 4.40 0.00 1.68 1.43 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 N 9.86 5.24 0.00 2.72 2.74 0.00 0.00 7.18 8.13 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 5 I 8.54 4.99 1.97 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 1.06 0.00 0.00 6 H 9.16 5.11 0.00 3.21 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.63 5.42 2.34 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.20 1.07 0.00 0.00 8 K 8.57 5.47 0.00 1.45 1.58 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.25 7.81 9 S 8.59 4.69 0.00 4.05 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 10 G 8.42 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.97 4.63 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 12 D 8.14 4.64 0.00 2.18 1.54 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 13 K 7.06 5.43 0.00 1.35 1.56 0.00 1.63 0.00 0.00 2.22 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.26 7.81 14 W 8.41 5.10 0.00 3.29 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 15 E 8.94 5.09 0.00 1.98 1.87 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 2.24 2.44 0.00 16 V 8.60 4.69 2.16 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 0.88 0.00 0.00 1.17 0.00 0.00 17 N 8.78 5.30 0.00 2.62 2.74 0.00 0.00 6.67 7.68 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 18 V 8.70 4.53 1.84 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 0.80 0.00 0.00 0.75 0.00 0.00 19 A 8.62 4.33 1.25 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 0.00 0.00 0.00 20 P 0.00 4.06 0.00 2.14 2.09 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 21 E 7.84 4.66 0.00 2.03 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 2.18 2.23 0.00 22 S 7.98 4.25 0.00 4.05 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 23 T 8.18 4.50 4.28 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 1.23 0.00 0.00 24 V 8.41 3.88 2.50 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 1.13 0.00 0.00 1.23 0.00 0.00 25 L 7.88 3.95 0.00 1.98 1.67 0.91 0.82 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 26 Q 8.28 4.55 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 27 F 8.27 4.50 0.00 3.10 3.24 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 0.00 28 K 8.19 3.82 0.00 1.94 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 29 E 8.21 3.85 0.00 2.20 2.02 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 2.32 2.34 0.00 30 A 8.16 4.01 1.45 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 0.00 0.00 31 I 7.73 3.58 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.61 0.00 0.00 32 N 8.17 4.28 0.00 2.62 2.94 0.00 0.00 6.96 6.31 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 33 K 8.20 3.94 0.00 1.88 1.95 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 A 8.33 4.78 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 35 N 8.35 4.26 0.00 1.44 1.97 0.00 0.00 7.11 7.13 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 36 G 8.11 4.01 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 0.00 0.00 0.00 37 I 6.70 3.39 1.63 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.32 0.81 0.00 0.00 38 P 0.00 4.27 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 39 V 8.26 3.27 2.04 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 0.92 0.00 0.00 0.87 0.00 0.00 40 A 7.91 4.18 1.26 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 41 N 8.21 4.99 0.00 2.84 2.78 0.00 0.00 6.99 7.28 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 42 Q 8.23 4.26 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 43 R 8.87 4.56 0.00 1.86 2.02 0.00 3.07 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 44 L 8.37 5.02 0.00 1.57 1.54 0.48 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.87 5.43 1.90 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 1.10 1.12 0.90 0.00 0.00 46 Y 8.32 4.86 0.00 2.99 2.67 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 47 S 8.95 3.61 0.00 3.91 3.83 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 48 G 8.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.66 0.00 2.01 1.77 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.40 7.81 50 I 8.14 4.44 1.88 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 1.40 0.77 0.93 0.00 0.00 51 L 8.80 3.78 0.00 1.39 1.34 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.34 4.51 0.00 1.83 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.65 7.81 53 D 8.90 4.57 0.00 2.70 2.74 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 54 D 8.00 5.30 0.00 2.69 2.76 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 0.00 0.00 0.00 0.00 55 Q 7.72 4.90 0.00 2.40 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 56 T 8.28 4.43 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 1.25 0.00 0.00 57 V 8.46 3.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.73 0.00 0.00 58 E 7.95 4.28 0.00 2.13 2.21 0.00 0.00 0.00 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 59 S 8.12 3.90 0.00 3.68 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 60 Y 7.43 4.41 0.00 3.16 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 61 H 7.92 4.24 0.00 3.43 3.47 0.00 5.87 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 6.90 3.16 1.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.35 0.59 0.00 0.00 63 Q 8.16 4.19 0.00 1.60 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.05 0.00 0.00 0.00 0.00 0.00 2.59 2.25 0.00 64 D 8.34 4.32 0.00 2.60 2.59 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 0.00 0.00 0.00 65 G 8.84 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 66 H 7.81 4.88 0.00 3.40 3.56 0.00 5.62 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 67 S 8.67 5.26 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 4.71 2.32 0.00 0.00 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 1.06 0.00 0.00 69 H 9.40 4.89 0.00 3.35 3.27 0.00 5.80 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 70 L 9.22 4.99 0.00 1.56 1.80 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.66 4.29 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 0.99 0.00 0.00 0.96 0.00 0.00 72 K 8.64 4.68 0.00 1.68 1.70 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 73 S 9.22 4.62 0.00 3.66 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 74 Q 8.89 4.28 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00