NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2891 8.1227 123.5823 52.7508 19.4390 179.0252 7 T 3.9655 8.3391 110.1039 63.0650 67.5019 172.3915 8 E 4.0735 8.7992 119.8540 59.0748 30.3127 178.5283 9 T 3.8403 7.4754 117.0011 66.6188 68.6544 176.3994 10 A 4.0037 7.9556 122.1114 55.4988 18.3473 179.5466 11 T 3.7702 8.1130 114.2542 66.8236 68.5670 176.3228 12 R 3.8502 8.0387 120.5360 60.0763 29.9171 177.4861 13 D 4.3446 8.1784 117.9155 57.8416 40.8223 178.7819 14 Q 3.9726 8.3043 119.2068 59.6239 29.2673 179.0616 15 L 3.9840 8.3057 119.5797 57.5406 41.5139 179.5387 16 T 3.9005 7.7380 116.0996 65.8694 68.4019 176.8445 17 K 4.0860 8.2140 121.0368 59.7388 32.5298 178.4169 18 E 4.4473 8.8087 120.1822 58.6145 29.2690 179.0184 19 A 3.9079 7.7058 120.4044 55.4597 18.2740 179.7925 20 F 4.4728 8.2880 114.7810 60.7465 39.0814 177.6160 21 Q 4.4273 8.2625 117.4036 56.8115 28.6199 175.0032 22 N 4.9725 8.1196 119.4884 51.0096 38.4852 173.1649 23 P 4.3119 0.0000 0.0000 65.6253 32.1172 177.8538 24 D 4.5279 8.8876 118.5578 57.2006 41.0971 178.1862 25 N 4.5234 8.3912 115.8081 54.8804 38.7517 174.2777 26 Q 4.9165 7.3155 118.4344 54.3662 30.4210 175.2525 27 K 4.4157 8.4857 124.1797 56.3072 33.1228 176.4360 28 V 4.5986 8.2253 121.0328 61.5456 34.5900 174.7225 29 N 5.0255 8.9458 124.2983 51.9619 41.8780 173.3803 30 I 5.0940 7.9453 119.2907 60.1059 40.8379 175.7405 31 D 4.7652 9.1181 127.8891 51.9251 41.3824 177.2445 32 E 4.0772 8.7158 111.9375 57.4239 27.7949 177.0634 33 L 4.6003 9.3943 118.8701 54.4348 42.8510 177.6274 34 G 3.8144 8.3790 105.9786 46.0951 0.0000 173.3209 35 N 5.0363 7.5608 114.1336 51.0745 40.8336 174.8041 36 A 4.9222 8.7511 123.6637 51.9587 19.5732 176.7091 37 I 4.4637 8.0335 110.8672 58.9364 40.7521 172.2034 38 P 4.6560 0.0000 0.0000 63.4554 31.2550 176.2043 39 S 4.4540 9.0268 116.1792 57.7527 64.6798 175.4855 40 G 3.8710 8.5156 107.6322 44.7249 0.0000 172.6896 41 V 4.6073 7.7769 119.9575 61.0491 34.1585 174.3751 42 L 4.9610 8.3653 126.4484 53.0140 43.3670 176.5577 43 K 3.8108 9.0794 122.2446 57.4417 32.9862 177.2912 44 D 4.4001 9.2226 124.7844 57.9451 40.7351 179.3790 45 D 4.3599 8.0438 118.6586 56.4143 39.2538 178.5297 46 V 3.5004 7.6602 119.1790 65.7837 31.7335 178.0333 47 V 3.5162 7.8754 117.7787 65.8384 31.3014 177.6870 48 A 3.9230 8.0132 120.6428 55.1743 17.8413 179.0012 49 N 4.2289 8.4968 115.2781 56.4217 38.7923 177.2797 50 I 3.7513 7.3782 121.1505 64.4109 37.2490 177.6439 51 E 3.9040 7.9429 119.0448 59.5164 29.3613 178.7564 52 E 3.8844 8.1841 119.0504 59.9515 29.4101 179.3173 53 Q 4.0223 7.5668 114.8231 58.5760 28.9889 178.3874 54 A 4.0982 8.2255 122.2652 55.1781 18.5555 179.6769 55 K 3.8453 8.2899 116.7950 59.7087 31.8783 179.4581 56 A 4.0505 8.2027 120.2095 54.3988 18.2087 178.9715 57 A 4.2893 8.1005 119.2038 53.8606 19.0425 179.9085 58 G 3.4485 7.7779 104.2449 48.0688 0.0000 175.4877 59 E 3.9660 8.2255 121.9520 59.6547 29.5717 178.2388 60 E 3.7162 8.0934 116.6662 60.0160 29.2654 178.4473 61 A 3.9918 8.2926 119.3601 56.1013 19.0342 178.8467 62 K 3.8804 8.5976 118.4066 59.2014 31.8613 178.0030 63 Q 4.0298 8.3040 124.5788 58.7977 29.5642 178.9658 64 Q 4.0641 7.9184 119.9049 59.1747 29.0876 177.1068 65 A 4.0299 7.9961 121.1024 55.3136 18.5265 179.2599 66 I 3.9381 7.3956 108.2390 61.9587 38.4145 177.3147 67 E 4.1359 8.2443 121.5161 56.9853 27.2366 176.6279 68 N 4.5583 8.3337 119.3019 53.5712 38.6402 174.4132 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 6 A 8.12 4.29 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.34 3.97 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 8 E 8.80 4.07 0.00 2.23 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 0.00 2.36 2.39 0.00 9 T 7.48 3.84 4.35 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 1.21 0.00 0.00 10 A 7.96 4.00 1.37 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 0.00 0.00 11 T 8.11 3.77 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 1.20 0.00 0.00 12 R 8.04 3.85 0.00 1.93 2.20 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 13 D 8.18 4.34 0.00 2.95 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 14 Q 8.30 3.97 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 15 L 8.31 3.98 0.00 1.68 1.68 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.74 3.90 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 1.05 0.00 0.00 17 K 8.21 4.09 0.00 1.78 2.04 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.67 7.81 18 E 8.81 4.45 0.00 2.13 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 2.34 2.20 0.00 19 A 7.71 3.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.47 0.00 3.27 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 21 Q 8.26 4.43 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 22 N 8.12 4.97 0.00 2.72 2.85 0.00 0.00 6.97 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 23 P 0.00 4.31 0.00 2.09 2.17 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 24 D 8.89 4.53 0.00 2.89 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 25 N 8.39 4.52 0.00 2.85 2.80 0.00 0.00 6.57 7.03 0.00 0.00 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 Q 7.32 4.92 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.78 0.00 27 K 8.49 4.42 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.41 7.81 28 V 8.23 4.60 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 0.87 0.00 0.00 0.95 0.00 0.00 29 N 8.95 5.03 0.00 2.66 2.75 0.00 0.00 6.74 6.93 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 30 I 7.95 5.09 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 1.40 0.87 0.88 0.00 0.00 31 D 9.12 4.77 0.00 2.74 2.82 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 32 E 8.72 4.08 0.00 2.09 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 0.00 2.27 2.28 0.00 33 L 9.39 4.60 0.00 1.71 1.65 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.38 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 0.00 0.00 0.00 35 N 7.56 5.04 0.00 3.09 2.72 0.00 0.00 6.92 7.57 0.00 0.00 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 A 8.75 4.92 1.22 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 0.00 0.00 37 I 8.03 4.46 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 1.34 0.92 0.91 0.00 0.00 38 P 0.00 4.66 0.00 1.92 2.01 0.00 3.63 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 2.01 2.09 0.00 39 S 9.03 4.45 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 40 G 8.52 3.87 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 0.00 0.00 0.00 41 V 7.78 4.61 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 1.00 0.00 0.00 1.03 0.00 0.00 42 L 8.37 4.96 0.00 1.35 1.37 0.20 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.08 3.81 0.00 1.68 1.87 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.58 7.81 44 D 9.22 4.40 0.00 2.75 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 45 D 8.04 4.36 0.00 2.88 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 46 V 7.66 3.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 47 V 7.88 3.52 2.15 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 0.91 0.00 0.00 0.92 0.00 0.00 48 A 8.01 3.92 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 N 8.50 4.23 0.00 2.81 2.91 0.00 0.00 7.37 8.68 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 50 I 7.38 3.75 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 0.87 0.00 0.00 51 E 7.94 3.90 0.00 2.20 1.99 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 2.47 2.46 0.00 52 E 8.18 3.88 0.00 2.02 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 2.31 2.38 0.00 53 Q 7.57 4.02 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 54 A 8.23 4.10 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 55 K 8.29 3.85 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.67 7.81 56 A 8.20 4.05 1.40 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 0.00 0.00 57 A 8.10 4.29 1.42 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 0.00 0.00 0.00 58 G 7.78 3.45 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 0.00 59 E 8.23 3.97 0.00 2.00 2.02 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 2.33 2.47 0.00 60 E 8.09 3.72 0.00 2.14 1.96 0.00 0.00 0.00 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 2.40 0.00 61 A 8.29 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 62 K 8.60 3.88 0.00 1.84 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 63 Q 8.30 4.03 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 64 Q 7.92 4.06 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 65 A 8.00 4.03 1.37 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 0.00 0.00 66 I 7.40 3.94 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 1.52 0.57 0.96 0.00 0.00 67 E 8.24 4.14 0.00 1.99 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 2.44 2.37 0.00 68 N 8.33 4.56 0.00 2.87 2.80 0.00 0.00 7.05 7.56 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