NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3461 8.1744 110.9434 61.2438 70.5751 173.5130 6 N 4.7881 7.8955 120.1272 53.0776 39.3238 173.1358 7 S 4.4507 8.8210 113.0351 57.5965 64.8150 173.3669 8 D 4.8074 8.6487 121.7912 55.1535 41.7636 175.5408 9 F 5.3769 8.0684 114.4380 55.4892 41.5943 173.8340 10 V 4.5968 8.8789 112.2660 59.5282 35.5041 174.8130 11 V 4.8914 8.5968 122.7809 61.2987 34.3042 174.4992 12 I 4.9200 9.0026 128.1037 59.5129 40.9970 173.9603 13 K 5.0830 9.0259 129.1454 54.2452 34.3893 175.1434 14 A 4.4313 8.8393 130.3511 52.3210 19.0794 177.4768 15 L 4.6493 9.0219 122.5459 54.7550 42.4870 176.0194 16 E 4.6701 7.6509 115.5010 54.9516 32.2299 174.4235 17 D 4.4549 8.3555 119.4492 55.6820 41.3312 176.8831 18 G 3.8609 8.4156 108.9826 45.7453 0.0000 173.7968 19 V 3.8977 7.5968 119.6858 62.8625 32.7774 174.5171 20 N 5.3614 9.1109 124.8388 51.4454 41.5309 173.6225 21 V 4.4451 8.9122 124.4581 61.4681 33.4312 174.2117 22 I 4.5071 8.6115 130.4906 59.3736 39.4030 175.2234 23 G 4.0066 8.8353 115.7742 45.3868 0.0000 172.4659 24 L 5.4555 8.9189 126.7188 53.2633 43.9950 176.3573 25 T 4.5518 8.7240 114.2128 61.6105 69.2671 174.4182 26 R 4.2702 7.8138 126.1943 57.1194 31.0184 174.7232 27 G 3.6956 8.8918 108.6976 43.9987 0.0000 173.1933 28 A 4.0534 8.6114 120.8301 54.6269 18.5217 177.7292 29 D 4.6602 7.8757 114.4650 53.6727 42.2139 175.9646 30 T 4.6993 8.3516 122.8784 61.6737 69.8000 172.8367 31 R 4.7747 8.7685 122.6420 53.9095 33.8959 174.1768 32 F 5.3036 8.6953 117.9931 57.6237 39.1460 175.6410 33 H 4.9925 8.8152 117.7874 56.3871 30.7115 173.8875 34 H 4.7350 7.5466 116.8575 55.0236 33.2878 172.2434 35 S 4.8130 8.1446 118.9469 56.3890 64.8345 172.4831 36 E 4.3280 9.0680 130.0146 55.1868 30.7689 174.7449 37 K 4.9167 8.5894 128.6040 55.3458 33.8422 175.3643 38 L 5.0102 9.0619 127.2238 53.1532 44.9729 175.8266 39 D 5.0696 9.2857 123.3115 52.3302 43.3985 176.0161 40 K 4.2011 8.8667 122.1837 58.5532 32.4075 176.6617 41 G 4.0724 9.2295 115.1204 45.2910 0.0000 173.7507 42 E 4.2352 8.1147 119.2098 56.3086 30.7726 176.1740 43 V 4.9206 8.2989 122.0461 61.0087 34.3295 174.1829 44 L 4.7507 9.1483 129.8293 53.2567 44.7513 174.7798 45 I 5.0524 8.4482 126.3603 59.5885 39.2142 174.7677 46 A 4.7006 9.1558 129.1935 50.1340 22.0976 175.4419 47 Q 4.8096 8.6481 120.8204 55.1623 30.2990 175.7820 48 F 4.6059 8.5995 120.1622 57.9286 38.7428 175.2000 49 T 4.6692 8.9313 110.9444 60.1604 71.9791 173.8948 50 E 4.0894 8.9644 121.4522 59.6302 29.4918 177.4872 51 H 4.5325 7.7958 114.2484 56.3821 29.7895 174.6426 52 T 5.0128 8.1726 116.7096 62.0237 70.1854 173.9619 53 S 5.0750 8.6346 120.0244 57.9435 64.7116 173.3962 54 A 5.0335 7.8477 120.7951 51.3725 22.4624 175.3219 55 I 4.9438 8.5582 120.9215 59.3207 40.6084 174.7054 56 K 4.5700 8.9759 128.4055 54.4813 34.7036 174.6085 57 V 4.8075 8.4200 126.8187 61.1885 33.5513 174.5806 58 R 4.5554 9.2120 127.0064 55.6659 33.0446 176.6020 59 G 4.2249 9.0052 108.6099 44.3123 0.0000 172.4434 60 K 4.7926 9.4594 118.2230 55.1897 32.9266 176.6683 61 A 5.0780 8.5562 124.7385 50.7846 23.4433 173.7025 62 Y 4.9827 9.1556 121.4791 56.0524 41.0861 174.5542 63 I 4.8106 8.5418 127.2262 59.4599 40.7785 174.2982 64 Q 4.9784 8.7656 125.8941 54.2907 31.7317 174.9397 65 T 4.8588 8.4832 113.4269 59.3893 72.3108 174.6026 66 R 3.7479 8.5514 120.4649 59.3803 29.8645 176.5625 67 H 4.6901 9.2937 112.5551 55.5252 29.5648 175.4854 68 G 3.8044 6.4565 106.6407 44.3027 0.0000 172.5568 69 V 4.7675 7.5408 112.7983 60.0059 34.6997 175.2029 70 I 4.4160 8.0818 120.4486 60.2848 41.8743 172.7148 71 E 5.3064 8.7124 126.6509 54.5492 31.7511 176.0408 72 S 4.6126 8.7327 119.3364 57.8318 65.0434 174.6361 73 E 4.8722 8.4079 117.4447 56.6075 30.4773 175.3720 74 G 3.7035 8.1982 107.3612 47.6548 0.0000 174.4469 75 K 4.3087 8.5533 120.4798 56.5616 32.9326 175.9934 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 5 T 8.17 4.35 4.25 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 1.22 0.00 0.00 6 N 7.90 4.79 0.00 2.78 2.83 0.00 0.00 7.11 6.75 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 7 S 8.82 4.45 0.00 4.12 3.93 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 8 D 8.65 4.81 0.00 2.76 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 9 F 8.07 5.38 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.88 4.60 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 0.62 0.00 0.00 0.87 0.00 0.00 11 V 8.60 4.89 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 1.15 0.00 0.00 1.13 0.00 0.00 12 I 9.00 4.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.90 0.00 0.00 13 K 9.03 5.08 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 14 A 8.84 4.43 1.30 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 0.00 0.00 0.00 15 L 9.02 4.65 0.00 1.64 1.72 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.67 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 17 D 8.36 4.45 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.60 3.90 2.19 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 0.89 0.00 0.00 1.04 0.00 0.00 20 N 9.11 5.36 0.00 2.59 2.58 0.00 0.00 6.29 8.19 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 21 V 8.91 4.45 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.61 4.51 1.47 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.36 -0.40 0.00 0.00 23 G 8.84 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 24 L 8.92 5.46 0.00 1.87 1.71 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.72 4.55 4.32 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 1.34 0.00 0.00 26 R 7.81 4.27 0.00 1.91 1.98 0.00 3.21 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.89 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 0.00 0.00 0.00 28 A 8.61 4.05 1.30 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 0.00 0.00 0.00 29 D 7.88 4.66 0.00 2.64 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 30 T 8.35 4.70 4.27 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 0.00 0.00 0.00 1.28 0.00 0.00 31 R 8.77 4.77 0.00 1.85 2.01 0.00 2.79 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.70 5.30 0.00 2.86 2.91 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 33 H 8.82 4.99 0.00 3.15 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.55 4.74 0.00 3.28 3.07 0.00 5.80 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 35 S 8.14 4.81 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.33 0.00 2.17 1.78 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 2.27 2.29 0.00 37 K 8.59 4.92 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.56 7.81 38 L 9.06 5.01 0.00 1.54 1.51 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.29 5.07 0.00 2.57 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 40 K 8.87 4.20 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.23 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.11 4.24 0.00 2.04 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 2.33 2.36 0.00 43 V 8.30 4.92 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 0.85 0.00 0.00 0.97 0.00 0.00 44 L 9.15 4.75 0.00 1.72 1.45 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 5.05 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 0.77 0.00 0.00 46 A 9.16 4.70 1.10 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 0.00 0.00 47 Q 8.65 4.81 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.60 4.61 0.00 3.01 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 49 T 8.93 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 E 8.96 4.09 0.00 1.92 1.97 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 2.07 2.29 0.00 51 H 7.80 4.53 0.00 3.36 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.17 5.01 4.34 0.00 0.00 0.00 0.00 0.00 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 53 S 8.63 5.08 0.00 3.83 4.10 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 54 A 7.85 5.03 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 55 I 8.56 4.94 1.80 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.82 0.00 0.00 56 K 8.98 4.57 0.00 1.80 1.51 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 V 8.42 4.81 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 0.85 0.00 0.00 0.89 0.00 0.00 58 R 9.21 4.56 0.00 1.74 1.78 0.00 3.18 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 59 G 9.01 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 0.00 0.00 0.00 0.00 60 K 9.46 4.79 0.00 1.87 1.78 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.25 7.81 61 A 8.56 5.08 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 62 Y 9.16 4.98 0.00 3.01 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 63 I 8.54 4.81 1.84 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 1.17 0.73 0.82 0.00 0.00 64 Q 8.77 4.98 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 65 T 8.48 4.86 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 1.15 0.00 0.00 66 R 8.55 3.75 0.00 1.57 1.70 0.00 3.10 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 1.52 1.57 0.00 67 H 9.29 4.69 0.00 3.17 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.46 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 0.00 0.00 0.00 69 V 7.54 4.77 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 nan 0.00 0.00 70 I 8.08 4.42 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.86 0.00 0.00 71 E 8.71 5.31 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 2.54 2.47 0.00 72 S 8.73 4.61 0.00 3.92 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 73 E 8.41 4.87 0.00 1.95 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 0.00 2.19 2.33 0.00 74 G 8.20 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 0.00 0.00 0.00 75 K 8.55 4.31 0.00 1.93 1.88 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81