NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2123 8.4331 121.4702 56.0110 30.7201 175.4208 9 G 3.7641 8.4357 114.9997 43.6309 0.0000 167.4682 10 V 4.0675 8.8078 120.3580 61.6034 33.4568 173.4166 11 I 4.4963 8.1533 127.2723 59.6261 38.9834 175.1854 12 M 4.6817 8.4025 121.9860 53.8460 33.9016 174.3303 13 S 5.0038 8.4929 118.2507 57.1205 66.3492 172.4816 14 E 5.1810 8.8749 120.6175 55.0474 33.6120 173.3226 15 L 5.1331 8.8182 126.4422 53.2295 45.5258 174.9909 16 K 5.0222 8.8027 125.3603 54.8667 34.4439 175.4395 17 L 5.3698 8.6357 123.3252 52.8102 46.3785 175.3704 18 K 4.9268 8.6872 121.6166 54.0364 35.4102 173.8068 19 P 4.3164 0.0000 0.0000 62.8305 31.5665 176.5300 20 L 4.2226 8.1683 124.5966 57.1481 41.9478 176.3850 21 P 4.3091 0.0000 0.0000 62.3103 31.8600 176.7388 22 K 4.2642 8.1970 119.7080 55.4612 30.6964 176.4677 23 V 4.4266 7.6802 121.3425 59.7384 34.3852 174.6620 24 E 4.5426 8.5935 121.6759 54.5785 31.4379 175.5404 25 L 4.0751 8.0948 123.8722 52.3589 43.3695 174.9147 26 P 4.4941 0.0000 0.0000 62.0356 31.8522 175.6648 27 P 4.5676 0.0000 0.0000 64.4869 31.4276 178.2623 28 D 4.5484 8.1913 119.0101 56.0025 39.4435 178.3283 29 F 3.9678 8.4545 119.3263 60.4761 39.0657 177.8279 30 V 3.6563 8.0133 118.1799 64.9817 31.1265 178.0624 31 D 4.3258 8.0181 119.0407 57.1737 40.9208 178.6904 32 V 3.5738 7.4180 117.4211 65.8899 31.4992 178.1772 33 I 3.6460 7.9575 119.8217 64.3003 36.9432 178.2779 34 R 3.8698 7.8565 119.2883 59.5384 29.6408 178.6685 35 I 3.7160 7.3862 118.0404 64.2793 37.1703 178.2896 36 K 4.0985 7.6952 117.8276 59.3014 32.3148 178.8721 37 L 4.2528 7.9696 118.9538 55.5639 42.0335 177.2993 38 Q 4.3008 7.3065 116.1160 57.9352 28.7934 176.1901 39 G 4.0561 8.9269 107.9648 45.2133 0.0000 174.0977 40 K 4.4635 7.7031 117.9977 55.9200 33.9538 176.2887 41 T 4.9687 8.3059 118.5488 62.4530 70.1200 174.6416 42 V 4.6247 8.5840 116.8914 59.7521 35.8830 175.1977 43 R 4.6525 8.9377 121.6346 54.1256 33.8676 175.2656 44 T 3.9151 8.3223 117.4618 65.5883 68.8409 174.5454 45 G 4.0355 8.5702 114.1286 45.2289 0.0000 173.8136 46 D 4.6247 7.7169 119.3794 54.5246 42.1493 175.7030 47 V 5.0325 8.2274 120.3416 61.2470 34.5898 174.5691 48 I 4.7796 8.6987 119.7713 59.2017 41.3343 174.0388 49 G 4.5334 8.7702 110.6281 44.7240 0.0000 172.7217 50 I 4.9115 8.6229 124.2396 59.1804 40.9277 174.6180 51 S 4.9030 8.8130 121.7936 57.4391 64.2136 173.6664 52 I 4.5592 8.3778 125.3889 60.4967 39.9626 175.5593 53 L 3.7875 9.8150 124.3250 55.8429 39.2072 175.0017 54 G 3.9357 8.6446 102.7249 46.0115 0.0000 174.0986 55 K 4.5325 8.2015 118.7488 53.9962 35.4439 175.0722 56 E 4.6889 8.8512 125.4652 55.7105 30.5400 175.8639 57 V 4.3875 8.5157 125.9477 59.7783 34.8753 174.5078 58 K 4.7783 8.3623 123.4181 55.0404 34.2756 175.1779 59 F 5.0807 8.9299 123.2370 55.5296 42.0910 174.2450 60 K 4.7315 8.6425 124.3996 54.6818 34.8779 175.2473 61 V 4.0509 8.3357 127.3146 62.5942 31.8295 176.6908 62 V 3.7673 8.6201 129.3439 65.8846 32.3192 176.5163 63 Q 4.6054 7.8683 116.0696 54.8100 33.2054 172.9153 64 A 4.9917 8.5851 125.9186 50.4357 21.2748 175.7523 65 Y 4.6662 8.5718 119.3874 55.3575 41.2369 174.1431 66 P 4.7165 0.0000 0.0000 62.5181 32.5232 175.5178 67 S 4.7008 8.0508 115.0806 56.0309 64.4952 172.8690 68 P 4.6693 0.0000 0.0000 62.6262 32.2529 175.0940 69 L 4.8578 7.9906 116.9827 54.3517 44.1906 175.2713 70 R 4.8854 8.4614 118.9534 55.2710 31.8780 176.1333 71 V 4.0095 8.1824 122.8681 62.4311 32.9432 174.5709 72 E 5.1417 8.6433 128.0731 53.9170 33.2426 175.9728 73 D 4.4411 8.8782 121.2978 56.1847 39.3840 178.0000 74 R 4.1329 7.8389 117.3378 58.2967 30.5930 176.6756 75 T 4.3528 7.5755 115.3127 63.2288 69.2022 174.7419 76 K 4.4731 8.6353 125.3226 55.7756 33.9646 175.8734 77 I 5.1565 8.2654 123.3692 59.8816 40.6943 174.9647 78 T 4.7203 8.5194 121.8251 61.7337 72.3648 172.7337 79 L 5.0487 8.5452 125.1047 53.4173 43.1863 176.0293 80 V 4.4002 8.3308 124.7281 61.9740 32.6878 175.1216 81 T 4.7563 8.2766 115.7316 60.8253 71.8070 172.4510 82 H 4.8300 8.4350 118.9902 53.3415 30.7241 173.7253 83 P 4.4227 0.0000 0.0000 63.2121 31.1764 176.2637 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 8 E 8.43 4.21 0.00 1.94 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 2.19 2.32 0.00 9 G 8.44 3.76 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 0.00 0.00 0.00 10 V 8.81 4.07 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 0.93 0.00 0.00 0.93 0.00 0.00 11 I 8.15 4.50 1.88 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 1.48 0.75 0.92 0.00 0.00 12 M 8.40 4.68 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 13 S 8.49 5.00 0.00 3.94 4.04 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 0.00 0.00 0.00 14 E 8.87 5.18 0.00 2.05 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 2.24 2.39 0.00 15 L 8.82 5.13 0.00 1.81 1.47 1.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.80 5.02 0.00 1.89 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.48 7.81 17 L 8.64 5.37 0.00 1.64 1.61 0.87 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.69 4.93 0.00 1.87 1.64 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.43 7.81 19 P 0.00 4.32 0.00 1.99 1.66 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 20 L 8.17 4.22 0.00 1.57 1.65 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.31 0.00 2.08 1.97 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 22 K 8.20 4.26 0.00 1.73 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.37 7.81 23 V 7.68 4.43 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.83 0.00 0.00 24 E 8.59 4.54 0.00 1.89 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 2.17 2.25 0.00 25 L 8.09 4.08 0.00 1.37 0.48 0.90 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.49 0.00 2.60 2.06 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 27 P 0.00 4.57 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 28 D 8.19 4.55 0.00 2.94 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 29 F 8.45 3.97 0.00 3.38 3.23 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 0.00 30 V 8.01 3.66 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 0.99 0.00 0.00 0.95 0.00 0.00 31 D 8.02 4.33 0.00 2.86 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 32 V 7.42 3.57 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 1.00 0.00 0.00 0.88 0.00 0.00 33 I 7.96 3.65 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.71 0.71 0.00 0.00 34 R 7.86 3.87 0.00 2.03 2.05 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 35 I 7.39 3.72 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 0.89 0.00 0.00 36 K 7.70 4.10 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.65 7.81 37 L 7.97 4.25 0.00 1.75 1.67 0.84 0.67 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 38 Q 7.31 4.30 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.46 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 39 G 8.93 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.70 4.46 0.00 1.91 1.72 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 41 T 8.31 4.97 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 1.23 0.00 0.00 42 V 8.58 4.62 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 0.90 0.00 0.00 0.99 0.00 0.00 43 R 8.94 4.65 0.00 1.98 1.73 0.00 3.13 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 44 T 8.32 3.92 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 1.18 0.00 0.00 45 G 8.57 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.72 4.62 0.00 2.66 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 47 V 8.23 5.03 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 0.95 0.00 0.00 1.01 0.00 0.00 48 I 8.70 4.78 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.94 0.00 0.00 49 G 8.77 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.91 2.18 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 1.00 0.00 0.00 51 S 8.81 4.90 0.00 3.90 3.91 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 0.00 0.00 0.00 52 I 8.38 4.56 2.03 0.00 0.00 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 1.43 0.95 1.15 0.00 0.00 53 L 9.82 3.79 0.00 1.84 1.78 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.64 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 55 K 8.20 4.53 0.00 1.94 1.68 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 56 E 8.85 4.69 0.00 1.97 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 2.29 2.38 0.00 57 V 8.52 4.39 2.01 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 1.05 0.00 0.00 0.21 0.00 0.00 58 K 8.36 4.78 0.00 1.63 1.72 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 59 F 8.93 5.08 0.00 3.02 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 60 K 8.64 4.73 0.00 1.89 1.68 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.38 7.81 61 V 8.34 4.05 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 0.97 0.00 0.00 0.99 0.00 0.00 62 V 8.62 3.77 2.28 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 0.93 0.00 0.00 1.05 0.00 0.00 63 Q 7.87 4.61 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 64 A 8.59 4.99 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 65 Y 8.57 4.67 0.00 3.12 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 66 P 0.00 4.72 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 67 S 8.05 4.70 0.00 3.77 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 68 P 0.00 4.67 0.00 2.17 2.04 0.00 3.71 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 1.98 1.94 0.00 69 L 7.99 4.86 0.00 1.78 1.94 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.46 4.89 0.00 1.71 1.89 0.00 3.20 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 71 V 8.18 4.01 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 0.89 0.00 0.00 0.93 0.00 0.00 72 E 8.64 5.14 0.00 1.98 1.73 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 2.18 2.22 0.00 73 D 8.88 4.44 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.13 0.00 1.83 2.03 0.00 3.33 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 75 T 7.58 4.35 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 76 K 8.64 4.47 0.00 1.75 1.71 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 77 I 8.27 5.16 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.90 0.00 0.00 78 T 8.52 4.72 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 1.22 0.00 0.00 79 L 8.55 5.05 0.00 1.55 1.65 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.33 4.40 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 0.76 0.00 0.00 0.97 0.00 0.00 81 T 8.28 4.76 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 1.23 0.00 0.00 82 H 8.43 4.83 0.00 3.10 3.28 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 83 P 0.00 4.42 0.00 2.18 2.03 0.00 3.79 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 1.99 1.95 0.00