NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 K 4.2490 8.4145 122.1372 54.1268 33.4752 175.8635 33 R 4.0866 8.2530 120.8266 53.2938 30.1555 174.3213 34 K 4.1708 8.3834 122.4756 55.6397 34.3761 176.0194 35 F 4.9520 9.1879 117.1072 54.9851 40.6059 173.9835 36 A 4.5276 7.9903 123.0494 50.1108 21.0372 176.9900 37 C 4.1670 7.9361 116.0321 57.5405 31.9020 175.0847 38 V 3.1869 8.3474 121.0873 66.0739 30.7898 177.8222 39 E 3.7987 7.8290 118.2698 59.5849 29.6256 178.4849 40 C 4.1202 7.9134 116.1277 62.6632 28.1631 176.2055 41 R 4.0069 8.0538 120.0441 59.0522 29.4538 178.7072 42 Q 4.0989 8.1398 118.4940 59.2221 29.2198 177.5870 43 Q 4.2731 8.1126 115.6941 54.6003 29.3313 175.8328 44 K 3.8614 7.3988 118.5328 57.5818 30.4298 174.5412 45 S 4.7853 7.6664 111.2049 55.6176 65.5927 173.8696 46 K 3.7981 8.5629 122.7825 57.0489 32.1870 175.4035 47 C 4.7202 8.6355 126.3959 57.7677 33.2176 172.7489 48 D 4.8198 8.4352 127.0142 53.3063 39.3019 178.3962 49 A 3.9176 7.7893 121.5901 56.2055 18.2864 178.8364 50 H 4.2175 8.2314 118.6794 59.9131 30.5091 177.7015 51 E 4.1854 8.2602 121.8251 61.7282 29.7244 181.5087 52 R 4.1544 7.8832 117.4629 60.0287 29.5069 180.0839 53 A 3.7558 8.3237 122.0387 53.1645 18.0452 176.2207 54 P 4.0738 0.0000 0.0000 66.0833 31.6318 177.1545 55 E 4.0279 7.4357 116.8939 55.5349 29.8235 175.1055 56 P 4.2896 0.0000 0.0000 62.8311 32.2299 176.5425 57 C 4.2975 8.4199 115.9689 58.3086 31.4769 174.6719 58 T 3.8479 9.1832 120.7741 67.1250 68.2531 176.5696 59 K 3.8693 8.0481 119.2515 60.0111 32.1740 178.9118 60 C 4.0845 8.0776 115.8817 62.6953 27.9265 175.9792 61 A 3.9836 8.3253 124.8642 55.8603 17.8928 180.5331 62 K 3.8845 8.1860 120.9778 59.0922 31.7747 180.1867 63 K 4.3825 7.7858 115.7578 55.5612 33.9244 175.2237 64 N 4.1048 8.1028 116.8083 54.8880 37.2410 172.5730 65 V 4.5455 7.8278 110.9108 58.4976 36.4250 174.4201 66 P 4.1106 0.0000 0.0000 63.1499 31.3523 176.1785 67 C 4.3594 8.4797 124.3962 58.4689 31.4557 172.2569 68 I 4.3160 7.9584 126.9065 59.8207 39.3322 175.1001 69 L 4.5086 8.5025 125.6538 52.7991 42.8570 175.2777 70 K 4.4449 8.2855 124.8223 53.8735 32.4491 176.3643 71 R 4.5069 8.8645 127.3911 58.5929 30.0368 176.6253 72 D 5.0025 8.0041 114.8922 52.8708 39.8082 175.5592 73 F 4.4529 8.6533 122.4136 58.5446 39.9042 174.7333 74 R 4.1839 7.1812 125.3651 53.5442 32.7897 175.6945 75 R 3.9595 8.0784 121.9186 56.8726 30.5783 175.4753 76 T 4.5818 8.3802 118.2958 61.8393 70.6584 175.2709 77 Y 4.1570 8.6785 124.9154 56.7761 37.0552 176.1519 78 K 3.8845 8.4063 123.7220 59.3598 32.4451 178.1782 79 R 3.8840 8.1165 117.7036 59.9618 29.9375 178.3907 80 A 4.0753 8.0473 119.6386 54.8996 18.4436 179.4226 81 R 3.8523 8.0979 117.4173 59.6026 30.0925 178.6025 82 N 4.2953 8.5628 116.6000 56.5431 38.7661 177.0697 83 E 3.9400 8.2816 119.6911 59.5096 29.4967 179.4203 84 A 3.9851 8.0271 120.5005 55.3296 18.4825 179.6018 85 I 3.6546 7.7318 118.0578 64.6873 37.2736 178.4018 86 E 4.0250 8.5811 120.1874 58.8225 29.2699 178.9492 87 K 3.9582 7.9090 119.5698 59.4654 32.3040 178.7926 88 R 3.9361 7.9052 118.3570 59.3903 30.0241 178.5259 89 F 4.3352 8.5859 122.6270 62.0619 39.3967 177.6142 90 K 3.7761 8.3990 125.4902 60.9028 31.5773 180.9662 91 E 4.1078 8.5610 120.0720 60.3960 29.7063 180.3284 92 L 4.0439 8.3802 121.0007 58.5904 42.2206 179.3887 93 T 3.7179 7.9850 117.9927 67.5430 68.4059 176.9411 94 R 3.8981 7.7731 122.0336 61.9628 29.0488 180.6105 95 T 4.0380 7.4595 114.8519 66.7382 68.6291 176.5723 96 L 4.1270 7.5471 118.3640 57.5728 41.6605 179.1712 97 T 4.2429 7.8648 117.5245 66.1414 68.4859 176.1360 98 N 4.9581 7.9108 122.4368 54.7391 37.9192 179.7916 99 L 4.5647 7.5562 126.8004 55.4644 42.2210 179.7767 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 32 K 8.41 4.25 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 33 R 8.25 4.09 0.00 1.91 1.74 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 34 K 8.38 4.17 0.00 1.90 1.74 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 F 9.19 4.95 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.53 1.19 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 37 C 7.94 4.17 0.00 3.15 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 38 V 8.35 3.19 1.70 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 -0.33 0.00 0.00 0.64 0.00 0.00 39 E 7.83 3.80 0.00 2.00 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 2.31 2.40 0.00 40 C 7.91 4.12 0.00 3.05 3.11 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 0.00 0.00 0.00 0.00 41 R 8.05 4.01 0.00 2.36 2.21 0.00 3.45 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 42 Q 8.14 4.10 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 Q 8.11 4.27 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.36 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 44 K 7.40 3.86 0.00 1.78 1.81 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.31 7.81 45 S 7.67 4.79 0.00 3.94 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 46 K 8.56 3.80 0.00 1.73 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 47 C 8.64 4.72 0.00 2.88 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 48 D 8.44 4.82 0.00 2.86 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 49 A 7.79 3.92 1.21 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 0.00 0.00 0.00 0.00 0.00 50 H 8.23 4.22 0.00 3.24 3.46 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.26 4.19 0.00 2.02 1.93 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 2.31 1.94 0.00 52 R 7.88 4.15 0.00 1.91 1.86 0.00 3.39 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 53 A 8.32 3.76 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.07 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 55 E 7.44 4.03 0.00 1.92 1.88 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 2.34 2.43 0.00 56 P 0.00 4.29 0.00 2.01 1.99 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 57 C 8.42 4.30 0.00 3.32 3.01 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 58 T 9.18 3.85 4.22 0.00 0.00 0.00 0.00 0.00 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 59 K 8.05 3.87 0.00 1.72 1.84 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.55 7.81 60 C 8.08 4.08 0.00 3.05 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 61 A 8.33 3.98 1.36 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 0.00 0.00 0.00 62 K 8.19 3.88 0.00 1.85 1.76 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 63 K 7.79 4.38 0.00 1.82 1.81 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.40 7.81 64 N 8.10 4.10 0.00 2.82 2.77 0.00 0.00 6.92 7.61 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 65 V 7.83 4.55 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 0.78 0.00 0.00 0.88 0.00 0.00 66 P 0.00 4.11 0.00 1.98 1.96 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 67 C 8.48 4.36 0.00 2.93 2.83 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 68 I 7.96 4.32 1.72 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 1.39 0.63 0.86 0.00 0.00 69 L 8.50 4.51 0.00 1.64 1.80 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.29 4.44 0.00 1.78 1.79 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 1.46 7.81 71 R 8.86 4.51 0.00 1.87 2.03 0.00 3.08 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 72 D 8.00 5.00 0.00 2.82 2.73 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 73 F 8.65 4.45 0.00 2.93 3.11 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 0.00 0.00 0.00 0.00 74 R 7.18 4.18 0.00 1.54 1.59 0.00 3.39 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 75 R 8.08 3.96 0.00 1.65 1.66 0.00 3.22 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 76 T 8.38 4.58 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 Y 8.68 4.16 0.00 3.04 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 78 K 8.41 3.88 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.44 7.81 79 R 8.12 3.88 0.00 1.90 2.01 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 80 A 8.05 4.08 1.42 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 0.00 0.00 0.00 0.00 0.00 81 R 8.10 3.85 0.00 2.03 2.24 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 82 N 8.56 4.30 0.00 2.87 2.85 0.00 0.00 7.05 7.20 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 83 E 8.28 3.94 0.00 2.18 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 0.00 2.36 2.57 0.00 84 A 8.03 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.73 3.65 2.00 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 1.42 0.77 0.90 0.00 0.00 86 E 8.58 4.03 0.00 2.05 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 0.00 2.39 2.41 0.00 87 K 7.91 3.96 0.00 2.06 2.01 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 R 7.91 3.94 0.00 2.13 2.04 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 89 F 8.59 4.34 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 90 K 8.40 3.78 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.35 7.81 91 E 8.56 4.11 0.00 1.94 1.94 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 2.25 2.19 0.00 92 L 8.38 4.04 0.00 1.71 1.98 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.99 3.72 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 1.02 0.00 0.00 94 R 7.77 3.90 0.00 1.83 1.97 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 95 T 7.46 4.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 96 L 7.55 4.13 0.00 1.71 1.71 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.86 4.24 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 1.19 0.00 0.00 98 N 7.91 4.96 0.00 2.83 2.68 0.00 0.00 6.65 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.56 4.56 0.00 1.59 1.37 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00