NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2155 8.1701 115.2429 61.3702 68.5336 173.5263 3 A 3.9746 8.4025 130.4385 51.8065 19.0032 175.8905 4 L 4.2579 8.5385 122.4003 53.9778 43.6154 175.6125 5 A 4.1714 8.2050 124.6469 51.3873 19.1407 177.3812 6 K 4.0028 8.4444 122.2388 55.7410 32.4217 175.4026 7 P 4.6327 0.0000 0.0000 61.0824 32.9075 175.2324 8 Q 4.0836 8.4109 119.8971 56.6814 29.1619 175.4463 9 M 4.7458 8.6050 122.1499 54.5814 34.3331 175.4629 10 R 4.6273 7.7519 116.7399 55.0546 33.3507 175.0368 11 G 3.9790 8.5728 106.1518 47.0541 0.0000 176.2934 12 L 4.0303 7.8990 121.8005 57.0796 41.6521 178.5714 13 L 3.9459 7.8778 119.8997 58.0364 42.1591 178.6688 14 A 3.9882 7.9324 120.3422 54.9980 18.3623 179.4977 15 R 3.8328 8.1636 117.2540 59.6269 30.3550 178.5265 16 R 3.9585 7.9727 118.5888 59.4257 29.9280 178.2161 17 L 3.9587 8.2814 120.0181 58.1742 42.2045 178.5253 18 R 3.8739 8.0379 118.8937 59.6414 29.4188 177.7983 19 F 4.0585 8.2535 119.8510 61.8618 39.4336 176.7145 20 H 4.4576 8.4139 114.6862 58.0681 28.6514 177.9166 21 I 3.7275 8.0229 122.3325 64.1769 36.8184 178.0006 22 V 3.6741 7.3039 118.6878 66.2324 31.2363 177.9045 23 G 3.7680 7.4868 103.6687 48.0817 0.0000 174.8634 24 A 4.0600 8.3554 124.0045 55.3455 18.1969 179.1237 25 F 4.3428 8.5868 118.9392 61.3002 39.4359 176.7997 26 M 3.6746 8.8610 117.9192 59.7385 31.9103 178.9168 27 V 3.2262 8.2717 114.9363 66.7743 31.0768 178.1172 28 S 4.0134 8.4257 110.7014 61.8989 63.0333 177.1277 29 L 3.8722 7.9382 120.8643 58.2774 41.5068 180.2544 30 G 3.6711 7.8286 104.5606 47.6539 0.0000 175.1325 31 F 4.2263 9.1763 123.8682 60.9774 39.5948 176.7395 32 A 4.1514 9.7545 120.7054 56.2094 17.9260 179.9144 33 T 3.8063 7.6880 113.6204 66.0985 68.4038 175.6520 34 F 4.3095 9.3436 121.9095 60.1809 40.0862 176.7386 35 Y 3.5712 7.0346 118.5119 60.5479 38.3894 177.6874 36 K 4.1084 7.9709 118.0040 57.6071 31.9934 176.9707 37 F 4.3625 7.1972 118.6394 60.5963 40.7057 176.8741 38 A 3.2350 7.7136 118.4004 53.4392 18.2960 177.3531 39 V 3.7450 6.7239 113.9421 64.0327 33.7927 177.4011 40 A 3.8413 7.6157 121.0603 55.2547 18.3339 179.4900 41 E 3.8369 7.4883 116.7451 59.3163 29.4430 179.2502 42 K 3.6773 7.2706 119.2696 59.6630 32.0349 178.7126 43 R 3.9133 7.8495 118.6155 59.4467 30.0805 178.5881 44 K 4.0153 7.9891 118.2806 59.3075 31.9914 179.2344 45 K 3.9830 8.0332 119.2143 59.0747 32.1789 178.4738 46 A 3.9482 8.1853 121.3641 55.7134 18.2514 179.3556 47 Y 3.7224 8.0397 114.3123 61.0771 38.1010 178.4447 48 A 4.2023 8.2229 121.7665 55.2795 18.3035 179.4133 49 D 4.3604 8.4776 116.9391 57.4580 40.9468 178.5244 50 F 4.0688 8.0226 120.2643 61.2517 39.3943 176.2679 51 Y 4.3816 8.1478 114.8439 59.0004 37.7323 177.7893 52 R 3.9885 7.8097 119.9610 59.2780 30.2575 177.7940 53 N 4.9530 7.7752 112.2530 52.8595 39.1312 174.2647 54 Y 3.9291 7.4363 119.6951 57.5067 39.4814 175.2768 55 D 4.5333 7.6836 125.4011 52.0295 43.6250 176.5780 56 S 3.8314 8.1325 123.4351 61.4283 63.1799 176.2061 57 M 4.1965 7.9892 122.0818 58.0840 31.7103 178.3577 58 K 3.9110 8.1561 119.6903 59.3152 32.3346 178.2287 59 D 4.3180 8.0237 118.3123 57.4242 41.2299 177.7271 60 F 4.3148 8.7346 121.4685 61.5865 39.2593 176.7157 61 E 3.6261 8.5167 118.6916 59.3903 29.2483 178.5463 62 E 3.8913 8.1304 117.4169 59.6560 29.7557 179.1665 63 M 3.9938 7.8740 118.6509 58.1479 32.0493 178.3806 64 R 3.8740 7.9806 119.2066 59.7437 29.9566 178.6633 65 K 3.9693 7.9041 115.9325 58.7901 32.0691 178.2965 66 A 4.2981 7.6094 119.3213 52.0986 18.8385 177.6971 67 G 3.7921 7.8177 105.5202 45.8808 0.0000 175.0213 68 I 3.8103 7.3335 114.6752 61.9982 38.3059 176.0284 69 F 4.9922 7.5745 118.6336 56.6932 40.1715 175.4639 70 Q 4.3432 8.8309 122.0884 58.2620 29.1771 177.5461 71 S 4.2718 8.1290 109.8445 59.4538 63.6488 173.9929 72 A 4.4789 7.7370 123.4116 50.9388 20.0026 175.9241 73 K 4.2405 8.6418 119.9333 57.5519 32.3008 177.4502 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 2 T 8.17 4.22 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 3 A 8.40 3.97 1.27 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 0.00 0.00 0.00 4 L 8.54 4.26 0.00 1.65 1.60 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.21 4.17 1.23 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 6 K 8.44 4.00 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.63 0.00 2.21 2.04 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 8 Q 8.41 4.08 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 9 M 8.61 4.75 0.00 1.99 2.03 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 2.64 2.51 0.00 10 R 7.75 4.63 0.00 1.76 1.80 0.00 3.34 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 11 G 8.57 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 0.00 0.00 0.00 12 L 7.90 4.03 0.00 1.70 1.72 0.91 0.49 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 13 L 7.88 3.95 0.00 1.75 1.66 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 3.99 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 15 R 8.16 3.83 0.00 2.00 2.15 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 16 R 7.97 3.96 0.00 1.95 2.10 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 17 L 8.28 3.96 0.00 1.82 1.85 0.94 0.82 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 18 R 8.04 3.87 0.00 2.14 2.02 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 19 F 8.25 4.06 0.00 3.14 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 20 H 8.41 4.46 0.00 3.42 3.44 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.02 3.73 1.99 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 1.55 1.16 0.87 0.00 0.00 22 V 7.30 3.67 2.05 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 1.08 0.00 0.00 0.87 0.00 0.00 23 G 7.49 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 0.00 0.00 0.00 24 A 8.36 4.06 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 25 F 8.59 4.34 0.00 3.01 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 26 M 8.86 3.67 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 27 V 8.27 3.23 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 1.04 0.00 0.00 0.94 0.00 0.00 28 S 8.43 4.01 0.00 4.18 3.81 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 29 L 7.94 3.87 0.00 1.28 1.49 0.39 0.49 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 30 G 7.83 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 0.00 0.00 0.00 31 F 9.18 4.23 0.00 3.12 3.34 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 32 A 9.75 4.15 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 3.81 4.21 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 1.14 0.00 0.00 34 F 9.34 4.31 0.00 2.91 2.73 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 0.00 0.00 0.00 35 Y 7.03 3.57 0.00 3.21 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 36 K 7.97 4.11 0.00 2.03 1.78 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 37 F 7.20 4.36 0.00 2.89 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 38 A 7.71 3.24 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.72 3.74 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 0.00 0.00 0.75 0.00 0.00 0.51 0.00 0.00 40 A 7.62 3.84 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 41 E 7.49 3.84 0.00 1.99 1.95 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 2.45 2.45 0.00 42 K 7.27 3.68 0.00 1.60 1.77 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.28 7.81 43 R 7.85 3.91 0.00 2.00 2.07 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 44 K 7.99 4.02 0.00 1.99 1.87 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 45 K 8.03 3.98 0.00 1.84 1.93 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.58 7.81 46 A 8.19 3.95 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 47 Y 8.04 3.72 0.00 3.14 3.22 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 48 A 8.22 4.20 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 49 D 8.48 4.36 0.00 2.68 2.76 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 50 F 8.02 4.07 0.00 2.82 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 51 Y 8.15 4.38 0.00 3.45 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 52 R 7.81 3.99 0.00 1.98 2.11 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 53 N 7.78 4.95 0.00 2.69 2.76 0.00 0.00 6.83 7.46 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 54 Y 7.44 3.93 0.00 2.74 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 55 D 7.68 4.53 0.00 2.54 2.27 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 0.00 56 S 8.13 3.83 0.00 4.23 4.33 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 57 M 7.99 4.20 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.52 0.00 58 K 8.16 3.91 0.00 1.81 1.90 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.41 7.81 59 D 8.02 4.32 0.00 2.86 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 F 8.73 4.31 0.00 3.15 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 3.63 0.00 2.40 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 2.33 2.38 0.00 62 E 8.13 3.89 0.00 1.94 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 2.32 2.44 0.00 63 M 7.87 3.99 0.00 1.55 2.28 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.45 0.00 64 R 7.98 3.87 0.00 1.13 1.77 0.00 3.34 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 65 K 7.90 3.97 0.00 1.69 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 66 A 7.61 4.30 1.23 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 67 G 7.82 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 0.00 0.00 0.00 68 I 7.33 3.81 1.59 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.72 0.00 0.00 69 F 7.57 4.99 0.00 3.40 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 70 Q 8.83 4.34 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 71 S 8.13 4.27 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.74 4.48 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.64 4.24 0.00 1.79 1.76 0.00 1.88 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81