NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.2134 7.9133 114.0091 61.2704 33.6582 174.2072 13 E 4.7239 8.5875 123.9297 52.4078 32.8665 173.7827 14 C 4.2497 8.8473 120.5563 57.5367 30.8825 172.5157 15 P 4.4918 0.0000 0.0000 64.1040 31.0760 177.2033 16 L 4.3456 7.9392 119.5215 57.6221 41.8361 177.5054 17 C 4.7305 7.7353 107.8839 57.3519 31.5422 173.2814 18 M 3.2970 8.5162 118.9358 57.0063 29.8790 176.2088 19 E 4.9847 7.8416 115.5018 53.4101 33.7585 174.2225 20 P 5.5830 0.0000 0.0000 63.0708 32.1795 174.3033 21 L 4.9794 8.2713 118.9802 53.1546 45.4062 175.5699 22 E 4.7201 8.3861 117.7878 54.7269 31.9354 177.5572 23 I 3.6550 8.3652 122.0251 64.7715 37.1839 177.8440 24 D 4.6153 7.9424 115.6085 54.0193 39.8510 176.0309 25 D 4.6122 7.8635 119.7690 55.1583 41.7727 178.1472 26 I 3.8442 7.4590 119.3801 64.1727 37.1465 176.4084 27 N 4.8242 8.1192 115.1208 52.4033 37.2723 174.7439 28 F 4.2048 8.0249 123.3620 56.6428 38.2517 174.0435 29 F 4.7267 6.6285 122.6552 53.9287 39.6672 173.9941 30 P 4.0814 0.0000 0.0000 62.6536 31.2449 175.5694 31 C 4.7970 7.6528 118.5424 58.6493 34.6655 173.5890 32 T 4.2973 8.5882 116.0828 62.2580 68.6298 174.2903 33 C 4.4363 7.9760 115.8864 58.7848 29.7102 175.5064 34 G 3.7364 7.9892 107.7699 46.2809 0.0000 174.0042 35 Y 4.0031 7.3449 119.5286 56.8242 37.5596 173.6147 36 Q 4.8860 8.0433 127.9820 54.6332 30.8154 174.4667 37 I 4.9121 8.0872 117.7855 59.2489 40.9874 174.4713 38 C 4.4977 8.9606 119.3546 58.5476 30.3103 174.7382 39 R 4.1756 9.1943 120.4108 59.7406 29.7559 178.3569 40 F 5.2307 7.5671 114.9662 57.9696 38.7435 175.8002 41 C 4.8929 8.9472 117.5860 60.4668 33.6828 176.6683 42 W 4.3681 8.5694 128.6943 60.8133 30.1386 177.3968 43 H 3.2615 8.4224 117.7301 59.0827 29.1864 177.2955 44 R 4.0264 7.6985 120.5656 58.7619 29.7129 179.0756 45 I 3.7287 7.5700 119.6795 63.7123 36.7659 177.3045 46 R 4.3437 7.0400 117.1578 56.3234 30.0400 176.0875 47 T 4.3301 7.9396 114.4953 64.8809 70.0643 175.9707 48 D 4.6734 7.9563 117.3906 53.2765 41.0684 175.6446 49 E 4.4508 7.7400 119.5101 54.4865 31.3697 174.7491 50 N 4.5134 9.1074 116.7624 53.1071 39.0591 175.4282 51 G 3.7248 7.7563 106.2540 46.5948 0.0000 173.1602 52 L 4.6569 7.1727 116.5071 52.3350 44.8827 176.5016 53 C 3.7605 8.4873 121.1879 57.6142 31.6090 172.6938 54 P 4.2919 0.0000 0.0000 64.5003 30.8063 176.4506 55 A 4.7109 7.2472 120.4194 52.0320 19.7693 176.1572 56 C 4.5601 7.6762 115.6031 60.3931 33.4858 176.1602 57 R 3.9003 8.3379 117.2836 56.1798 29.6489 175.9728 58 K 4.3183 7.2591 116.5555 55.2495 33.1145 174.6721 59 P 4.6785 0.0000 0.0000 62.8580 31.7588 175.7515 60 Y 4.6979 8.9111 119.5012 57.5255 38.3753 175.2968 61 P 4.2398 0.0000 0.0000 64.3475 31.8837 176.5958 62 E 4.1203 7.6295 119.7111 55.4759 30.2550 176.0979 63 D 4.6157 8.6860 121.0481 54.6756 41.2963 175.9807 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 12 V 7.91 4.21 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 0.69 0.00 0.00 0.94 0.00 0.00 13 E 8.59 4.72 0.00 1.99 1.83 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 2.24 2.38 0.00 14 C 8.85 4.25 0.00 3.20 3.15 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 15 P 0.00 4.49 0.00 2.31 2.24 0.00 3.71 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 2.00 1.83 0.00 16 L 7.94 4.35 0.00 1.82 1.91 1.23 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.74 4.73 0.00 3.07 3.02 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 18 M 8.52 3.30 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 19 E 7.84 4.98 0.00 1.91 1.85 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 2.45 2.25 0.00 20 P 0.00 5.58 0.00 2.11 2.11 0.00 3.35 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.89 0.00 21 L 8.27 4.98 0.00 1.53 1.65 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.39 4.72 0.00 1.91 1.92 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 2.32 2.19 0.00 23 I 8.37 3.66 1.86 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 1.47 0.97 0.91 0.00 0.00 24 D 7.94 4.62 0.00 2.73 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 25 D 7.86 4.61 0.00 2.79 2.69 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 26 I 7.46 3.84 1.99 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 1.38 0.98 0.95 0.00 0.00 27 N 8.12 4.82 0.00 2.81 2.95 0.00 0.00 5.89 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 28 F 8.02 4.20 0.00 2.93 3.16 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 29 F 6.63 4.73 0.00 3.33 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 30 P 0.00 4.08 0.00 0.50 0.88 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.29 0.00 31 C 7.65 4.80 0.00 3.38 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 32 T 8.59 4.30 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 1.25 0.00 0.00 33 C 7.98 4.44 0.00 3.14 3.19 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 34 G 7.99 3.74 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 0.00 0.00 0.00 35 Y 7.34 4.00 0.00 3.05 2.99 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 36 Q 8.04 4.89 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.46 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 37 I 8.09 4.91 2.10 0.00 0.00 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 1.50 0.77 1.18 0.00 0.00 38 C 8.96 4.50 0.00 3.14 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 39 R 9.19 4.18 0.00 1.28 1.58 0.00 2.65 0.00 0.00 2.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.00 40 F 7.57 5.23 0.00 3.11 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 41 C 8.95 4.89 0.00 3.38 3.08 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 0.00 0.00 0.00 0.00 42 W 8.57 4.37 0.00 3.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.42 3.26 0.00 3.36 3.27 0.00 5.73 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 44 R 7.70 4.03 0.00 2.14 2.00 0.00 3.22 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 45 I 7.57 3.73 2.03 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.99 0.00 0.00 46 R 7.04 4.34 0.00 1.27 1.54 0.00 3.18 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 47 T 7.94 4.33 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 D 7.96 4.67 0.00 2.74 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 49 E 7.74 4.45 0.00 1.90 2.13 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 2.18 2.33 0.00 50 N 9.11 4.51 0.00 2.66 2.80 0.00 0.00 7.00 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 51 G 7.76 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 0.00 0.00 0.00 52 L 7.17 4.66 0.00 1.46 1.49 0.90 0.97 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 53 C 8.49 3.76 0.00 2.74 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 54 P 0.00 4.29 0.00 2.00 2.08 0.00 3.56 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 0.86 1.81 0.00 55 A 7.25 4.71 1.13 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 0.00 0.00 56 C 7.68 4.56 0.00 2.84 2.84 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 57 R 8.34 3.90 0.00 1.82 2.01 0.00 3.24 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 58 K 7.26 4.32 0.00 1.76 1.66 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.48 7.81 59 P 0.00 4.68 0.00 2.20 2.04 0.00 3.73 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 1.99 1.98 0.00 60 Y 8.91 4.70 0.00 3.27 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 61 P 0.00 4.24 0.00 2.06 2.14 0.00 4.04 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 2.08 2.15 0.00 62 E 7.63 4.12 0.00 1.74 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 0.00 1.47 1.91 0.00 63 D 8.69 4.62 0.00 2.75 2.71 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