NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1658 7.8827 121.0517 60.9995 40.2926 172.8470 2 V 5.1635 8.0841 120.2742 59.9138 33.8599 174.3940 3 C 5.1186 9.1956 127.1420 54.9615 47.8501 172.0829 4 H 4.5821 8.8766 122.5690 56.7453 28.4177 174.7721 5 T 5.2625 9.0483 119.5233 61.0795 71.5339 174.2629 6 T 4.2576 8.6355 119.4714 62.0933 67.5035 174.8792 7 A 4.1686 8.3369 124.1465 56.1295 18.3751 178.6939 8 T 4.2141 7.6410 103.5255 60.8996 69.8387 174.2853 9 S 4.1629 8.7296 118.0173 61.3624 62.7232 174.2658 10 P 4.6261 0.0000 0.0000 62.1726 32.7538 175.0116 11 I 4.5244 7.6335 117.4836 60.2681 40.2510 174.4876 12 S 4.7541 7.5317 113.9537 58.8263 68.5268 175.4673 13 A 5.0738 8.7565 121.7917 50.4401 21.7289 175.9382 14 V 4.4426 8.3297 121.1432 59.9494 35.7977 174.4229 15 T 4.7877 8.2849 117.1952 62.5368 68.7405 175.9762 16 C 4.3220 8.8406 125.3126 56.2825 41.8314 171.9603 17 P 4.5606 0.0000 0.0000 61.6174 32.0399 174.9987 18 P 4.8165 0.0000 0.0000 63.2375 30.6783 176.9533 19 G 4.1608 8.3370 105.0848 45.6819 0.0000 173.2033 20 E 4.6777 8.0458 118.8081 54.8779 32.9257 174.3136 21 N 5.0786 8.8685 119.9270 53.1901 40.9389 173.3869 22 L 4.8657 8.9236 119.7262 54.3685 45.1333 174.0746 23 C 5.3781 9.5538 118.9341 55.6402 43.3572 172.7266 24 Y 5.0940 7.7386 121.9455 55.0154 41.9436 174.4819 25 R 4.5788 8.8927 113.7104 55.1823 32.0930 173.8230 26 K 4.9974 8.5019 127.3610 55.7716 34.0650 174.2538 27 M 5.3519 8.4102 119.4232 54.7483 36.8910 174.8694 28 W 4.2174 7.8428 116.4688 55.7328 30.8055 174.7507 29 C 4.5918 8.3162 120.9143 56.5279 31.8005 172.7640 30 D 3.3700 7.7579 123.3819 52.2061 39.5023 178.4845 31 A 4.6229 7.8860 121.1146 51.6525 17.4310 176.9533 32 F 4.5509 7.6130 116.8509 58.5761 41.2515 175.5795 33 C 4.2727 8.0983 121.0789 58.6582 43.7064 174.7936 34 S 4.0576 7.8904 113.0876 60.9269 62.2511 173.9621 35 S 4.5766 7.7110 111.0191 59.4441 64.8492 174.1433 36 R 3.8606 9.3272 118.3695 54.6695 28.8796 177.0612 37 G 4.0490 9.5014 112.9968 45.7500 0.0000 172.6235 38 K 3.6092 8.1044 120.2857 56.5594 29.1947 173.8119 39 V 3.9493 7.6642 120.2512 61.3404 31.5876 175.3806 40 V 4.9317 8.3377 127.9341 61.5409 31.7454 176.2319 41 E 4.5527 8.8289 133.2401 58.0480 29.2095 175.5581 42 L 3.4452 6.5494 118.6318 53.1147 43.1759 178.0340 43 G 4.2262 6.9312 107.6671 45.7257 0.0000 170.4225 44 C 4.9317 8.6466 113.3327 53.7234 43.4042 172.0477 45 A 4.4753 8.2709 120.8825 52.2767 21.8624 176.8031 46 A 4.2468 8.4115 121.2209 52.4818 19.8478 177.3167 47 T 4.0113 6.6586 102.7310 61.7266 71.9666 170.3219 48 C 4.8928 8.7492 116.9148 53.2959 43.4746 172.2617 49 P 4.3689 0.0000 0.0000 62.0974 31.8950 174.7082 50 S 3.8733 7.9488 109.8435 58.9326 62.7419 176.3631 51 K 4.0962 7.9706 117.0197 56.0958 30.7579 176.0053 52 K 4.4935 7.8450 119.9991 54.3736 33.6115 175.6472 53 P 4.4517 0.0000 0.0000 65.3679 31.7076 176.4628 54 Y 4.8044 8.1938 118.2516 58.5608 40.7590 175.4502 55 E 4.5907 8.2319 120.5935 54.9679 30.5700 174.7958 56 E 5.0504 8.7935 123.7751 54.3056 33.3904 175.5594 57 V 4.8395 8.0984 115.3132 59.8689 34.2937 176.5566 58 T 4.4189 8.3082 122.1153 64.4691 69.9990 170.4149 59 C 5.6155 8.3526 113.7534 56.7247 42.4645 173.6352 60 C 4.9064 8.4587 118.3940 55.6388 46.8521 173.2450 61 S 4.9316 8.2966 115.4779 57.2137 62.4688 173.5701 62 T 4.6104 7.3363 113.1402 62.0858 72.4734 173.5829 63 D 5.2063 8.4385 122.5668 54.9970 42.0771 175.9495 64 K 3.8536 8.2264 121.9728 58.0523 29.6636 175.7029 65 C 4.7678 8.0981 115.3465 56.6405 45.2077 172.6783 66 N 4.9217 7.5839 114.2646 52.1196 38.5879 170.9514 67 P 4.5151 0.0000 0.0000 62.1220 33.6745 175.7699 68 H 4.5731 8.3137 117.2663 54.9477 30.4801 173.6730 69 P 4.5860 0.0000 0.0000 63.5657 31.1581 177.1588 70 K 4.5041 7.9419 116.4039 57.9505 34.0848 174.8954 71 Q 3.4902 7.0135 113.9217 53.2186 29.1785 176.9455 72 R 4.6945 7.8437 126.8575 55.4210 32.2255 171.7972 73 P 4.4219 0.0000 0.0000 62.3749 32.4893 176.5001 74 G 4.2867 8.5257 106.4681 46.2032 0.0000 173.4758 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 1 I 7.88 4.17 2.15 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 1.29 1.54 0.91 0.00 0.00 2 V 8.08 5.16 2.40 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 0.60 0.00 0.00 0.92 0.00 0.00 3 C 9.20 5.12 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.88 4.58 0.00 2.99 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.05 5.26 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 1.30 0.00 0.00 6 T 8.64 4.26 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 1.30 0.00 0.00 7 A 8.34 4.17 1.33 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 0.00 0.00 0.00 8 T 7.64 4.21 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 1.21 0.00 0.00 9 S 8.73 4.16 0.00 3.84 3.97 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 10 P 0.00 4.63 0.00 2.21 2.07 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 I 7.63 4.52 1.85 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 1.35 0.52 0.88 0.00 0.00 12 S 7.53 4.75 0.00 3.76 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 13 A 8.76 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.33 4.44 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 0.76 0.00 0.00 0.92 0.00 0.00 15 T 8.28 4.79 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 16 C 8.84 4.32 0.00 2.99 3.26 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 0.00 17 P 0.00 4.56 0.00 2.22 2.22 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.96 0.00 18 P 0.00 4.82 0.00 2.20 2.18 0.00 3.71 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 1.98 1.96 0.00 19 G 8.34 4.16 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 0.00 0.00 0.00 20 E 8.05 4.68 0.00 1.93 1.98 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 2.24 2.29 0.00 21 N 8.87 5.08 0.00 2.67 2.76 0.00 0.00 7.13 7.78 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 22 L 8.92 4.87 0.00 1.60 1.62 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.55 5.38 0.00 2.89 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 24 Y 7.74 5.09 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.89 4.58 0.00 1.76 1.80 0.00 3.40 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 26 K 8.50 5.00 0.00 2.03 1.93 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.72 1.50 7.81 27 M 8.41 5.35 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 28 W 7.84 4.22 0.00 2.58 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.32 4.59 0.00 3.06 3.21 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 30 D 7.76 3.37 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.89 4.62 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.61 4.55 0.00 2.93 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 33 C 8.10 4.27 0.00 2.92 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 34 S 7.89 4.06 0.00 3.49 3.36 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 35 S 7.71 4.58 0.00 3.88 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 0.00 36 R 9.33 3.86 0.00 1.98 1.80 0.00 3.30 0.00 0.00 3.15 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 37 G 9.50 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.10 3.61 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.33 7.81 39 V 7.66 3.95 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 1.26 0.00 0.00 0.86 0.00 0.00 40 V 8.34 4.93 2.20 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 0.99 0.00 0.00 1.02 0.00 0.00 41 E 8.83 4.55 0.00 2.07 2.12 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 2.42 2.41 0.00 42 L 6.55 3.45 0.00 1.76 1.49 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.93 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 0.00 0.00 0.00 0.00 44 C 8.65 4.93 0.00 3.23 3.05 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 0.00 0.00 0.00 45 A 8.27 4.48 1.33 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 0.00 0.00 0.00 46 A 8.41 4.25 1.34 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 0.00 0.00 0.00 47 T 6.66 4.01 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 1.22 0.00 0.00 48 C 8.75 4.89 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 49 P 0.00 4.37 0.00 2.16 2.09 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 50 S 7.95 3.87 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.97 4.10 0.00 1.82 2.17 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.59 7.81 52 K 7.84 4.49 0.00 1.93 1.77 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.33 7.81 53 P 0.00 4.45 0.00 2.25 2.22 0.00 3.80 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 2.05 1.98 0.00 54 Y 8.19 4.80 0.00 2.96 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 55 E 8.23 4.59 0.00 1.66 1.59 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 1.47 1.47 0.00 56 E 8.79 5.05 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 57 V 8.10 4.84 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 0.72 0.00 0.00 0.79 0.00 0.00 58 T 8.31 4.42 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 1.24 0.00 0.00 59 C 8.35 5.62 0.00 2.96 3.06 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 60 C 8.46 4.91 0.00 3.41 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 61 S 8.30 4.93 0.00 3.84 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 62 T 7.34 4.61 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 1.21 0.00 0.00 63 D 8.44 5.21 0.00 2.62 2.55 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 0.00 0.00 0.00 0.00 64 K 8.23 3.85 0.00 1.88 1.88 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 65 C 8.10 4.77 0.00 2.91 3.25 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 66 N 7.58 4.92 0.00 2.61 2.74 0.00 0.00 7.15 8.12 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 67 P 0.00 4.52 0.00 2.13 2.04 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 68 H 8.31 4.57 0.00 3.19 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.59 0.00 2.13 2.06 0.00 2.66 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 70 K 7.94 4.50 0.00 1.69 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.59 7.81 71 Q 7.01 3.49 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 72 R 7.84 4.69 0.00 1.87 1.92 0.00 3.23 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 73 P 0.00 4.42 0.00 2.21 2.04 0.00 3.96 0.00 0.00 3.65 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 74 G 8.53 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 0.00 0.00 0.00 0.00