NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3174 8.2644 123.5820 52.3309 20.5074 178.1283 5 I 3.7110 7.7705 114.0143 62.9033 38.1668 174.1075 6 N 4.8617 8.2912 118.3846 52.9844 39.8862 174.4291 7 A 4.3631 7.7884 120.4565 50.8140 19.6660 176.4390 8 P 4.6000 0.0000 0.0000 62.1031 32.5968 175.7360 9 V 4.3751 8.0853 118.4826 61.3442 33.7245 174.8581 10 T 4.5322 8.3935 123.4242 62.4813 69.7317 173.6349 11 C 4.8685 8.4515 121.8692 58.1039 32.2906 172.7451 12 C 4.7914 8.0853 117.5274 58.5450 29.9257 173.9439 13 Y 4.4167 8.5206 120.2762 57.7491 38.5844 174.9445 14 N 4.8469 7.5454 115.4871 52.1360 42.6420 173.5146 15 F 5.5212 8.3879 118.6127 55.6653 41.7445 175.4750 16 T 4.0228 9.1907 121.2484 62.7730 67.5377 173.2193 17 N 4.8888 8.8134 124.1305 52.3867 37.8835 174.2224 18 R 4.3353 7.6055 119.0212 54.0401 32.1415 175.1288 19 K 2.0000 8.0863 126.1611 56.0643 32.5286 175.3497 20 I 4.3031 5.9778 122.6301 58.8520 40.0375 175.7213 21 S 4.1344 8.3766 119.8990 57.9663 62.9309 175.4046 22 V 3.5656 8.3255 126.6770 64.5767 31.2705 177.4354 23 Q 4.3151 7.6186 117.2936 56.7765 28.7637 176.4513 24 R 4.4518 8.1668 117.5419 56.0278 31.6412 176.0034 25 L 4.6634 7.3516 117.6366 53.8703 42.6704 176.1337 26 A 4.8247 8.6178 123.4167 52.8933 21.6804 176.0686 27 S 4.8801 7.7980 107.6254 58.4437 65.7310 174.9337 28 Y 5.4284 8.5277 117.2984 55.6848 41.0880 174.3640 29 R 4.5495 8.9342 119.0293 54.4722 34.1447 174.8413 30 R 4.7836 8.3890 120.6476 54.8103 31.9137 175.6135 31 I 4.4787 8.8611 126.4548 60.0249 38.5966 176.4495 32 T 4.6037 8.4557 114.4959 60.4050 70.5414 173.9977 33 S 4.0971 8.0727 118.3092 58.7868 62.6034 174.9810 34 S 4.4537 8.6336 121.8750 60.4899 62.9225 175.3835 35 K 4.1130 7.7552 119.7686 58.4616 32.0288 176.9790 36 C 4.4937 7.9957 117.0101 57.5320 29.3032 172.0759 37 P 4.3080 0.0000 0.0000 65.4573 31.0478 176.5482 38 K 4.2277 7.2096 114.1064 55.4909 34.2879 174.0814 39 E 4.3585 8.8036 119.5442 57.4429 30.1839 176.0623 40 A 4.6812 8.9919 123.7518 51.0594 23.8659 174.7369 41 V 4.6238 8.1591 118.0941 61.1491 34.5421 174.3416 42 I 4.7588 8.3615 128.3339 59.6514 39.3975 174.6633 43 F 5.2431 9.1047 127.1546 56.5433 40.9795 174.8237 44 K 5.1203 9.4976 125.0989 55.0132 34.1024 176.0515 45 T 4.7700 9.0378 118.7229 60.5679 70.4720 175.7268 46 I 3.6598 8.3505 122.7175 64.3016 37.1084 177.5888 47 V 4.1553 7.6957 111.1597 61.0733 31.7158 176.1492 48 A 3.7516 8.2157 120.3263 52.5108 16.9857 178.5878 49 K 4.2958 7.8827 119.3135 57.0201 33.5325 175.5290 50 E 5.3523 8.7613 125.6675 54.8766 31.6853 175.4086 51 I 4.7535 8.9727 124.5758 59.7444 41.4853 174.2982 52 C 4.9744 8.9620 124.6927 59.4996 29.6612 172.5832 53 A 4.8634 8.8739 124.6697 49.7157 23.3167 174.5835 54 D 3.3700 7.7266 118.6745 52.4349 41.4195 175.6146 55 P 4.0502 0.0000 0.0000 65.0647 31.4483 177.5139 56 K 4.1578 8.5593 116.3166 57.5804 32.7289 177.8084 57 Q 4.1595 7.6068 119.3215 54.9390 30.1989 176.4121 58 K 3.7816 8.8460 125.8976 59.7222 32.1006 178.9421 59 W 4.2840 8.2797 116.1705 59.4816 28.1146 178.3134 60 V 2.6345 6.3691 118.5395 65.4860 30.8089 177.9427 61 Q 3.8202 7.7544 117.8236 59.0002 28.5477 178.3582 62 D 4.3360 8.4642 120.3351 57.2341 40.7823 179.1454 63 S 4.0320 8.2714 115.9904 61.8225 62.8645 176.1795 64 M 3.4017 7.7089 121.2674 58.6502 31.6079 178.4686 65 D 4.4084 8.2118 118.7936 57.7408 40.9719 178.6405 66 H 4.0698 8.1383 118.3544 59.4259 29.7772 177.2866 67 L 4.1254 8.3581 119.6895 57.9897 41.5114 179.1584 68 D 4.5657 8.4917 118.5380 57.2820 40.9659 178.4450 69 K 4.1269 8.1753 118.4734 58.4485 32.4798 177.0432 70 Q 4.1589 7.7410 119.1723 55.8519 31.0489 175.7035 71 T 4.0022 8.5075 114.2689 62.6879 67.3032 173.4414 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 4 A 8.26 4.32 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.77 3.71 1.87 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 1.41 0.97 0.91 0.00 0.00 6 N 8.29 4.86 0.00 2.72 2.81 0.00 0.00 6.88 7.35 0.00 0.00 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 A 7.79 4.36 1.29 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 0.00 0.00 0.00 8 P 0.00 4.60 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 V 8.09 4.38 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 0.87 0.00 0.00 0.94 0.00 0.00 10 T 8.39 4.53 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 1.25 0.00 0.00 11 C 8.45 4.87 0.00 2.70 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.09 4.79 0.00 2.90 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 13 Y 8.52 4.42 0.00 2.94 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 14 N 7.55 4.85 0.00 2.72 2.73 0.00 0.00 6.79 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 15 F 8.39 5.52 0.00 3.01 2.87 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 0.00 0.00 0.00 16 T 9.19 4.02 4.42 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 1.61 0.00 0.00 17 N 8.81 4.89 0.00 2.92 2.97 0.00 0.00 5.84 7.66 0.00 0.00 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 R 7.61 4.34 0.00 1.69 1.74 0.00 3.24 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 19 K 8.09 2.00 0.00 0.80 1.14 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.81 0.21 7.81 20 I 5.98 4.30 1.90 0.00 0.00 1.00 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 0.82 0.82 0.00 0.00 21 S 8.38 4.13 0.00 3.77 3.67 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 22 V 8.33 3.57 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 0.61 0.00 0.00 0.64 0.00 0.00 23 Q 7.62 4.32 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 24 R 8.17 4.45 0.00 2.02 1.91 0.00 3.27 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 25 L 7.35 4.66 0.00 1.68 1.59 0.48 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.62 4.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.80 4.88 0.00 3.88 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 28 Y 8.53 5.43 0.00 2.70 3.04 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 29 R 8.93 4.55 0.00 1.69 1.76 0.00 3.06 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 30 R 8.39 4.78 0.00 1.63 1.84 0.00 3.20 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 31 I 8.86 4.48 1.99 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 1.26 0.90 0.93 0.00 0.00 32 T 8.46 4.60 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 1.19 0.00 0.00 33 S 8.07 4.10 0.00 3.86 3.78 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 0.00 0.00 0.00 34 S 8.63 4.45 0.00 4.01 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 35 K 7.76 4.11 0.00 1.79 1.92 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 36 C 8.00 4.49 0.00 2.93 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 37 P 0.00 4.31 0.00 2.03 2.11 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.00 38 K 7.21 4.23 0.00 1.83 1.73 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.28 7.81 39 E 8.80 4.36 0.00 1.89 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 2.31 2.33 0.00 40 A 8.99 4.68 1.43 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 0.00 0.00 0.00 41 V 8.16 4.62 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.65 0.00 0.00 42 I 8.36 4.76 1.85 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 1.24 0.55 0.99 0.00 0.00 43 F 9.10 5.24 0.00 3.20 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 44 K 9.50 5.12 0.00 1.90 1.81 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 45 T 9.04 4.77 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 1.27 0.00 0.00 46 I 8.35 3.66 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.92 0.00 0.00 47 V 7.70 4.16 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 0.95 0.00 0.00 48 A 8.22 3.75 1.38 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 0.00 0.00 0.00 49 K 7.88 4.30 0.00 1.93 1.73 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.46 7.81 50 E 8.76 5.35 0.00 1.93 1.91 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 2.28 2.36 0.00 51 I 8.97 4.75 2.11 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 1.33 0.98 1.09 0.00 0.00 52 C 8.96 4.97 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.87 4.86 1.11 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 0.00 0.00 54 D 7.73 3.37 0.00 2.24 2.29 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 0.00 55 P 0.00 4.05 0.00 1.97 1.98 0.00 3.53 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 56 K 8.56 4.16 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.37 7.81 57 Q 7.61 4.16 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 58 K 8.85 3.78 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.54 7.81 59 W 8.28 4.28 0.00 3.68 3.32 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 60 V 6.37 2.63 1.68 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 0.62 0.00 0.00 -0.54 0.00 0.00 61 Q 7.75 3.82 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 62 D 8.46 4.34 0.00 2.82 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 63 S 8.27 4.03 0.00 3.96 3.71 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 64 M 7.71 3.40 0.00 1.68 1.97 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.81 0.00 65 D 8.21 4.41 0.00 2.83 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 66 H 8.14 4.07 0.00 3.33 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.36 4.13 0.00 1.88 1.97 1.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.49 4.57 0.00 2.93 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 69 K 8.18 4.13 0.00 1.85 1.79 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 70 Q 7.74 4.16 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 71 T 8.51 4.00 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