NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4239 8.2893 120.3573 54.7947 32.1393 174.8493 2 P 4.3499 0.0000 0.0000 61.4998 32.6024 171.4524 3 K 3.8727 8.9080 124.5430 55.7673 33.0084 176.1472 4 F 5.2792 8.2752 123.2300 56.7794 42.6205 173.3822 5 Y 4.5138 6.7278 122.5073 55.8029 42.1113 174.3103 6 C 4.5088 7.3701 125.6640 57.2962 32.1275 173.5131 7 D 4.4439 8.7277 126.9626 56.4721 38.9783 179.0265 8 Y 3.4271 6.9289 116.1644 60.2608 37.8385 176.6824 9 C 4.5020 8.0789 114.6622 58.8419 28.8838 173.0762 10 D 4.4960 7.5862 118.7433 55.7347 38.4702 172.5752 11 T 4.5496 6.9423 110.7413 60.3011 72.0280 171.3016 12 Y 4.6900 8.1643 123.6607 55.4055 40.6053 175.0759 13 L 4.2513 9.1966 127.7919 55.3883 42.6174 177.8201 14 T 3.9619 8.4831 114.8201 62.9469 69.0345 173.8847 15 H 4.8427 8.0781 118.2210 54.0069 29.2548 174.0449 16 D 4.6603 8.4346 127.9338 51.8101 38.0016 175.1138 17 S 4.7832 7.4065 120.5016 56.2430 66.1065 174.0336 18 P 4.1761 0.0000 0.0000 65.5611 30.8670 178.1013 19 S 4.0310 7.8367 112.1793 60.3858 62.6407 175.9144 20 V 3.6654 7.6764 120.9196 66.0744 31.0690 178.0719 21 R 3.7086 7.2408 116.1955 59.2121 30.1896 178.6590 22 K 3.9492 7.4029 118.8415 59.7306 31.9321 178.7089 23 T 3.8129 8.3861 116.0948 67.1053 68.4616 175.5932 24 H 4.1994 8.4219 119.2166 58.3735 30.3891 175.7643 25 C 4.4542 7.7177 120.2521 59.3047 31.8621 173.4568 26 S 4.7730 7.9121 111.0056 57.5643 63.9389 175.0282 27 G 4.0976 7.7233 108.2566 43.6637 0.0000 174.3153 28 R 3.8643 8.8262 124.8845 59.2468 30.5512 178.2820 29 K 3.9372 8.1162 118.2110 59.5345 32.0371 177.6634 30 H 4.0445 8.3634 118.7560 59.2129 29.3315 176.9029 31 K 3.8126 7.6032 120.3000 59.5990 32.4193 178.0309 32 E 4.0792 8.1523 118.9855 59.4148 29.7011 178.1879 33 N 4.3089 8.6506 116.9246 56.4406 38.4905 177.2915 34 V 3.8395 7.7231 119.5568 65.9506 31.2010 177.7510 35 K 2.8838 8.1023 119.4216 59.4888 31.7023 178.0938 36 D 4.3574 7.7427 116.5552 57.2354 41.0588 177.6103 37 Y 4.2373 8.1073 119.9808 60.2325 39.0946 176.9680 38 Y 4.7137 7.7472 115.4670 56.9246 38.9880 176.6542 39 Q 3.9905 7.5477 122.9624 59.2016 29.3315 176.5813 40 K 4.6497 7.6981 115.0615 55.6496 32.9948 176.8822 41 W 4.6358 8.5734 131.4567 60.7298 30.6034 177.5379 42 M 4.5905 7.7916 114.6631 54.4265 30.3023 173.4618 43 E 3.7838 8.5167 115.2578 57.9531 28.5814 172.5857 44 E 4.4969 7.8471 116.7870 54.8686 32.4683 172.2416 45 Q 4.7073 8.7383 118.3637 54.6251 30.9819 176.3442 46 A 4.7446 8.8039 127.8190 50.1516 18.8740 175.1375 47 Q 4.6210 8.1810 125.0252 55.8446 30.3159 176.5376 48 S 4.5834 8.0062 109.0541 59.5663 64.2045 174.5896 49 L 4.1386 7.8416 121.5684 58.5325 39.8613 179.2078 50 I 3.6750 7.5362 120.6130 64.5851 37.1027 177.6295 51 D 4.7717 8.0693 120.5068 56.8312 40.7557 178.7785 52 K 3.9409 7.8071 118.5932 59.5067 31.9258 178.7429 53 T 4.1430 7.5745 114.8096 66.0625 69.1638 176.9622 54 T 4.0957 8.9560 112.8349 64.3380 68.6439 176.3200 55 A 4.1652 8.5162 123.2533 53.3214 20.0713 178.0714 56 A 4.5207 7.6205 119.8486 51.5378 18.4763 177.2373 57 F 4.1835 8.0330 126.4787 60.0610 40.6518 175.0955 58 Q 4.7322 8.0782 117.7993 57.0889 35.0703 174.4526 59 Q 4.5951 7.9652 115.9658 54.4217 29.2941 175.5794 60 G 4.1167 7.3874 109.1561 43.3126 0.0000 170.7704 61 K 4.1043 7.9785 122.2848 57.0818 33.2147 174.3705 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 M 8.29 4.42 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 P 0.00 4.35 0.00 2.33 2.09 0.00 4.02 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 3 K 8.91 3.87 0.00 1.97 1.93 0.00 1.10 0.00 0.00 0.66 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.29 7.81 4 F 8.28 5.28 0.00 3.29 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 5 Y 6.73 4.51 0.00 2.54 2.31 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 6 C 7.37 4.51 0.00 2.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.44 0.00 2.36 2.68 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 0.00 0.00 0.00 0.00 8 Y 6.93 3.43 0.00 3.05 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 9 C 8.08 4.50 0.00 2.96 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 10 D 7.59 4.50 0.00 2.78 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 11 T 6.94 4.55 4.15 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 1.02 0.00 0.00 12 Y 8.16 4.69 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.20 4.25 0.00 1.99 1.71 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.48 3.96 4.09 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 0.85 0.00 0.00 15 H 8.08 4.84 0.00 3.19 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.43 4.66 0.00 2.90 2.89 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 0.00 0.00 0.00 17 S 7.41 4.78 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.24 2.30 0.00 3.65 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 1.99 0.00 19 S 7.84 4.03 0.00 3.87 3.85 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 20 V 7.68 3.67 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 1.07 0.00 0.00 0.95 0.00 0.00 21 R 7.24 3.71 0.00 1.54 1.48 0.00 2.80 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 22 K 7.40 3.95 0.00 1.93 1.73 0.00 1.42 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 23 T 8.39 3.81 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 1.20 0.00 0.00 24 H 8.42 4.20 0.00 3.12 3.55 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 7.72 4.45 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.91 4.77 0.00 4.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 28 R 8.83 3.86 0.00 1.84 1.95 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 29 K 8.12 3.94 0.00 1.86 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.50 7.81 30 H 8.36 4.04 0.00 3.25 3.27 0.00 5.64 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 31 K 7.60 3.81 0.00 1.73 1.82 0.00 1.86 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.44 7.81 32 E 8.15 4.08 0.00 2.08 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 2.38 2.41 0.00 33 N 8.65 4.31 0.00 2.80 2.84 0.00 0.00 6.62 7.67 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 34 V 7.72 3.84 2.36 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 1.37 0.00 0.00 0.57 0.00 0.00 35 K 8.10 2.88 0.00 1.85 1.76 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 1.20 7.81 36 D 7.74 4.36 0.00 2.72 2.86 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 37 Y 8.11 4.24 0.00 3.26 3.40 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 0.00 0.00 0.00 0.00 38 Y 7.75 4.71 0.00 3.27 3.13 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 0.00 39 Q 7.55 3.99 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.57 7.38 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 40 K 7.70 4.65 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 41 W 8.57 4.64 0.00 3.21 3.28 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 42 M 7.79 4.59 0.00 1.53 1.78 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 43 E 8.52 3.78 0.00 2.05 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 2.20 2.20 0.00 44 E 7.85 4.50 0.00 1.99 1.76 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 2.14 2.33 0.00 45 Q 8.74 4.71 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 46 A 8.80 4.74 1.41 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 0.00 0.00 0.00 47 Q 8.18 4.62 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 48 S 8.01 4.58 0.00 3.91 3.79 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 49 L 7.84 4.14 0.00 1.92 1.96 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.54 3.68 1.82 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 1.16 0.77 0.93 0.00 0.00 51 D 8.07 4.77 0.00 2.84 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 52 K 7.81 3.94 0.00 1.92 1.89 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 53 T 7.57 4.14 4.36 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 1.33 0.00 0.00 54 T 8.96 4.10 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 1.15 0.00 0.00 55 A 8.52 4.17 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 56 A 7.62 4.52 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 57 F 8.03 4.18 0.00 3.30 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 58 Q 8.08 4.73 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 59 Q 7.97 4.60 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.16 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 60 G 7.39 4.12 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 0.00 0.00 0.00 61 K 7.98 4.10 0.00 1.86 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.36 7.81