NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 5.0607 8.3698 121.0759 58.0015 39.0292 174.1740 2 D 4.3151 8.3863 125.0417 51.7833 40.3070 174.9169 3 G 3.9667 9.1766 108.1586 46.7567 0.0000 175.7271 4 T 4.2264 7.9537 115.6950 63.4203 69.4164 175.0415 5 K 4.3289 7.7009 119.6892 55.0613 31.5338 174.7700 6 C 4.9678 8.3803 121.6652 55.1099 41.6116 174.6855 7 K 3.9902 8.8156 124.8533 59.1397 32.1280 176.5267 8 A 4.5611 7.5208 118.9882 50.2889 22.2715 174.5427 9 A 4.2083 8.4874 122.5847 53.7020 18.5561 177.8428 10 G 3.9432 9.1102 110.6040 46.2070 0.0000 173.7805 11 N 4.8898 8.1246 118.8672 51.7588 39.2906 173.4588 12 C 5.2104 8.4733 117.0074 55.5767 41.8830 174.3167 13 W 4.2035 8.2288 130.3618 57.3097 30.5903 174.9593 14 E 3.8636 5.9000 123.1624 53.1020 32.7698 173.5690 15 P 3.6034 0.0000 0.0000 62.0050 32.4210 176.4137 16 K 4.2337 8.0946 118.9576 55.0830 32.8935 174.8456 17 P 4.3818 0.0000 0.0000 64.8997 31.3708 177.1018 18 G 3.8874 9.2113 111.7555 45.0111 0.0000 172.7239 19 F 4.8741 8.1690 118.6805 54.7302 40.9619 174.0801 20 P 4.6106 0.0000 0.0000 62.5633 31.9706 176.1560 21 E 4.4049 8.7403 119.9136 57.9403 30.0141 176.9280 22 K 4.7211 7.9198 117.1563 54.4963 35.4242 175.9511 23 I 4.1900 8.3171 115.3791 61.5779 38.6479 175.7147 24 A 4.2552 7.8871 124.7140 53.6168 18.4848 177.8940 25 G 3.9547 9.4803 111.6817 45.5079 0.0000 173.7912 26 S 4.5615 7.8095 115.1095 56.6135 65.0213 174.7634 27 K 3.8291 8.2733 120.2448 59.2383 31.8651 176.9573 28 Y 4.6791 7.4691 114.6577 57.4889 37.8954 174.8709 29 D 4.4776 7.7381 120.7499 53.8703 41.3867 174.7699 30 P 4.2369 0.0000 0.0000 63.5887 31.8200 176.4199 31 K 3.8213 8.1218 116.2322 57.4967 29.9309 175.5667 32 H 4.3577 7.9289 114.4590 55.8008 29.7958 175.7617 33 D 4.6026 8.6525 123.4615 52.8710 42.2271 175.3627 34 P 4.3108 0.0000 0.0000 66.0238 30.8844 178.5659 35 K 4.0494 8.1526 117.7102 59.1205 32.1762 178.9358 36 E 4.1009 7.9453 118.5466 59.4563 29.3693 178.9145 37 L 3.9800 7.6900 117.6160 57.9082 41.9350 178.7511 38 N 4.6111 8.0667 113.8686 54.1065 38.6744 177.3070 39 K 3.9502 7.9812 121.3618 59.5130 32.1452 178.9262 40 Q 3.9519 8.0873 117.4789 58.9793 28.6946 178.6315 41 A 3.9850 7.9651 121.0971 55.3528 18.4456 179.2002 42 D 4.3059 7.9206 117.0108 57.5156 40.7977 179.1704 43 S 4.1107 8.0372 115.5475 61.8379 62.8349 176.7834 44 I 3.6741 7.6906 122.3340 64.1784 36.9061 178.3280 45 K 3.8865 8.0187 120.3707 59.7914 32.0334 178.9084 46 Q 4.0066 8.2027 118.2014 59.1292 28.5461 178.6699 47 M 4.0418 8.2851 119.8908 58.4875 32.0378 178.5505 48 E 3.9827 8.4803 119.0702 59.4896 29.4881 179.1834 49 E 3.9505 8.1494 119.0322 59.2673 29.5962 179.0160 50 R 3.8866 8.1422 118.2370 59.3663 30.0377 178.8475 51 N 4.4094 8.6064 116.7267 55.9970 38.4276 177.5882 52 K 3.9720 8.1032 120.0731 59.4926 32.1480 179.4625 53 K 3.9356 7.8333 118.4573 59.3588 31.9419 179.6257 54 R 3.5887 7.6612 118.1382 59.2932 29.9486 179.3856 55 V 3.8913 8.2211 118.3784 66.0459 31.4960 177.9405 56 E 3.9636 8.4981 118.6868 59.3537 29.3149 178.8084 57 N 4.2766 8.1605 117.1827 56.4548 39.0094 176.6301 58 F 4.5718 8.3078 122.0153 61.4867 39.3434 177.0592 59 K 3.6518 8.0305 116.7213 59.4119 31.9334 179.2810 60 K 4.1028 7.9847 117.4869 59.7381 32.1933 179.2269 61 T 4.2122 8.3052 108.6907 62.2465 69.2040 175.9430 62 G 3.9485 8.9073 108.9061 44.8953 0.0000 172.9783 63 K 4.7275 7.8957 118.5133 54.1841 34.8132 175.8201 64 F 3.9073 8.8286 126.5812 57.5430 39.9294 173.9928 65 E 4.5002 7.4765 127.5255 54.4311 31.2586 174.6072 66 Y 4.0589 8.7695 128.1621 59.8087 39.4298 174.6158 67 D 4.5226 8.6785 120.3035 52.8853 40.7566 176.5111 68 V 3.4105 8.2757 127.8323 65.8337 31.6436 177.8705 69 A 4.1000 8.0347 121.2365 54.0943 18.2766 177.9339 70 K 4.3992 7.9328 114.0415 56.1855 32.4389 176.3300 71 I 4.2411 7.2015 120.5240 61.3666 38.7578 176.1823 72 S 4.5027 8.7441 119.0887 59.3269 59.5277 169.5342 73 A 4.0525 7.8190 126.6239 52.8174 18.3996 177.7956 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 Y 8.37 5.06 0.00 2.66 2.88 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 0.00 0.00 0.00 2 D 8.39 4.32 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 9.18 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 0.00 0.00 0.00 4 T 7.95 4.23 4.39 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 1.28 0.00 0.00 5 K 7.70 4.33 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.53 7.81 6 C 8.38 4.97 0.00 2.98 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 7 K 8.82 3.99 0.00 1.79 1.90 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.43 7.81 8 A 7.52 4.56 1.24 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 0.00 0.00 0.00 9 A 8.49 4.21 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 10 G 9.11 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.12 4.89 0.00 2.74 2.68 0.00 0.00 7.01 7.28 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 12 C 8.47 5.21 0.00 3.08 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 13 W 8.23 4.20 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 E 5.90 3.86 0.00 1.43 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 2.13 2.22 0.00 15 P 0.00 3.60 0.00 2.33 2.05 0.00 3.22 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 16 K 8.09 4.23 0.00 1.76 1.85 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.39 7.81 17 P 0.00 4.38 0.00 2.10 2.07 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 18 G 9.21 3.89 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 0.00 0.00 0.00 19 F 8.17 4.87 0.00 3.18 3.02 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 20 P 0.00 4.61 0.00 2.57 2.16 0.00 4.19 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 21 E 8.74 4.40 0.00 2.02 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 0.00 2.49 2.49 0.00 22 K 7.92 4.72 0.00 1.76 1.69 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 23 I 8.32 4.19 2.01 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 1.35 1.18 1.04 0.00 0.00 24 A 7.89 4.26 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 25 G 9.48 3.95 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 0.00 0.00 0.00 26 S 7.81 4.56 0.00 4.02 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 27 K 8.27 3.83 0.00 1.47 1.35 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.83 1.18 7.81 28 Y 7.47 4.68 0.00 3.14 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 29 D 7.74 4.48 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 1.66 1.80 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 31 K 8.12 3.82 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.53 7.81 32 H 7.93 4.36 0.00 3.13 3.21 0.00 5.71 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 33 D 8.65 4.60 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 35 K 8.15 4.05 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.61 7.81 36 E 7.95 4.10 0.00 2.16 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 2.56 2.34 0.00 37 L 7.69 3.98 0.00 1.77 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.07 4.61 0.00 2.76 2.84 0.00 0.00 6.98 6.51 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 39 K 7.98 3.95 0.00 1.91 1.85 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.79 7.81 40 Q 8.09 3.95 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 41 A 7.97 3.99 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 42 D 7.92 4.31 0.00 2.92 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 43 S 8.04 4.11 0.00 4.03 3.91 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 44 I 7.69 3.67 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 0.85 0.91 0.00 0.00 45 K 8.02 3.89 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 Q 8.20 4.01 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 47 M 8.29 4.04 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 48 E 8.48 3.98 0.00 2.20 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 0.00 2.34 2.44 0.00 49 E 8.15 3.95 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 50 R 8.14 3.89 0.00 2.00 1.85 0.00 3.09 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 1.58 1.75 0.00 51 N 8.61 4.41 0.00 2.85 2.91 0.00 0.00 7.01 7.22 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 52 K 8.10 3.97 0.00 2.02 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.64 7.81 53 K 7.83 3.94 0.00 1.81 1.80 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.67 7.81 54 R 7.66 3.59 0.00 1.99 1.69 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 55 V 8.22 3.89 2.17 0.00 0.00 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 1.12 0.00 0.00 56 E 8.50 3.96 0.00 2.07 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 2.50 2.46 0.00 57 N 8.16 4.28 0.00 2.88 2.89 0.00 0.00 6.86 7.83 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 58 F 8.31 4.57 0.00 3.14 3.31 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 59 K 8.03 3.65 0.00 1.92 1.81 0.00 1.94 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.69 7.81 60 K 7.98 4.10 0.00 1.72 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 61 T 8.31 4.21 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 1.25 0.00 0.00 62 G 8.91 3.95 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 0.00 0.00 0.00 63 K 7.90 4.73 0.00 1.82 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 64 F 8.83 3.91 0.00 2.02 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 65 E 7.48 4.50 0.00 1.81 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 66 Y 8.77 4.06 0.00 3.24 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 67 D 8.68 4.52 0.00 2.79 2.71 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 68 V 8.28 3.41 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 0.85 0.00 0.00 0.77 0.00 0.00 69 A 8.03 4.10 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 70 K 7.93 4.40 0.00 1.86 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.58 7.81 71 I 7.20 4.24 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.90 0.00 0.00 72 S 8.74 4.50 0.00 3.89 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 0.00 73 A 7.82 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