NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1556 8.2649 123.5823 52.6478 19.4853 175.6379 3 K 3.5068 7.6312 123.7356 53.7539 32.0466 173.5176 4 D 4.1749 8.1579 114.9388 52.4327 41.9729 173.5821 5 G 2.9505 9.6394 109.6070 43.9165 0.0000 170.2300 6 P 4.1488 0.0000 0.0000 61.9993 29.6414 175.2752 7 R 4.5757 7.5131 122.4611 55.1564 37.0982 175.2196 8 I 4.3814 7.2814 118.4880 59.4144 41.5902 173.1483 9 I 3.4437 8.2829 125.9083 60.1350 38.3476 172.6633 10 V 4.5744 8.0656 123.0105 59.9429 34.5001 175.4871 11 K 4.6904 8.3783 118.2635 56.1438 32.6044 175.7046 12 M 4.6979 7.5391 117.2312 54.3338 35.4478 176.8074 13 E 4.6274 8.6034 118.2292 56.4876 30.2165 175.0455 14 S 4.2659 8.2209 113.9198 58.5619 62.9098 171.9792 15 S 4.5029 7.8120 110.3458 58.2425 64.3236 175.8637 16 A 4.5433 8.2355 127.8285 49.4578 21.5694 175.5273 17 G 3.4732 8.4322 112.6733 46.6662 0.0000 174.3375 18 T 3.2353 8.5785 111.7495 62.1452 68.8327 172.4554 19 G 3.4013 6.9176 110.5368 43.3149 0.0000 173.5650 20 F 4.1961 5.4600 116.7002 58.1030 38.8781 174.5480 21 Y 5.2983 7.7476 117.3530 57.8975 41.7385 174.3082 22 Y 4.3461 8.9111 121.1358 58.4691 38.8168 177.8002 23 T 3.8057 8.2114 117.6158 63.2232 67.6377 172.1713 24 T 4.2982 8.5509 112.9949 61.5902 66.4207 171.2633 25 T 4.8209 7.4125 105.6244 59.3135 72.2735 173.0224 26 K 4.7205 7.8167 120.6308 56.7349 35.1264 173.0890 27 N 4.3495 7.5787 122.2650 52.1170 43.8348 174.6451 28 R 4.6113 6.3801 120.0232 55.4605 34.5406 175.2276 29 R 4.1421 8.4276 118.3895 57.3425 29.6334 177.6983 30 N 4.3731 8.1974 117.5882 56.7144 38.4956 176.0159 31 T 4.2020 7.5278 105.4614 60.5256 69.9158 173.6017 32 Q 3.9962 8.4307 120.1713 56.4936 29.1089 176.6674 33 A 4.5290 8.1775 122.2150 51.3397 20.6033 174.5681 34 K 3.9327 8.0584 117.9002 57.1751 30.8802 176.5045 35 L 4.0968 7.7229 123.4426 56.0214 43.3165 177.0352 36 E 4.9700 7.8875 117.8473 55.6035 30.9863 175.2690 37 L 4.3016 7.9530 121.6057 54.6134 43.3608 177.5304 38 K 4.4218 7.7824 121.6240 56.7919 35.6260 174.2026 39 K 4.2210 8.4484 125.6430 57.2491 36.0982 172.8369 40 Y 3.7771 8.9652 124.3384 56.0586 39.3996 168.4263 41 D 4.4607 8.2528 124.4855 54.2744 42.9409 174.6246 42 P 5.1613 0.0000 0.0000 62.7109 30.9942 176.4686 43 V 3.7488 8.7742 108.1600 62.6549 32.3905 175.4912 44 A 4.2915 7.4375 125.0598 50.3854 24.7919 179.3095 45 K 3.7594 9.7461 120.7867 59.3370 30.0043 174.8565 46 K 4.4417 8.2233 119.5977 57.4693 36.1764 176.0913 47 H 4.7508 8.0110 115.8561 55.2567 35.8382 175.2892 48 V 3.2388 7.7935 119.0969 60.1706 32.7202 172.4959 49 V 3.0226 8.5244 115.5944 64.6006 30.0289 173.4551 50 F 4.3992 9.0363 126.5483 57.1556 38.0612 175.3453 51 R 4.5797 8.4911 120.3814 55.1250 35.0737 173.1887 52 E 3.7576 8.1332 123.5683 55.8239 29.1716 172.4267 53 K 4.2519 7.5115 124.6311 55.5348 39.6782 174.9424 54 K 4.1740 7.9327 125.6429 56.4246 32.1993 176.2897 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 A 8.26 4.16 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 3 K 7.63 3.51 0.00 1.97 1.81 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 D 8.16 4.17 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.64 2.95 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 6 P 0.00 4.15 0.00 2.06 2.06 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 R 7.51 4.58 0.00 1.73 1.77 0.00 3.23 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 8 I 7.28 4.38 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 1.30 1.07 0.91 0.00 0.00 9 I 8.28 3.44 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 1.47 0.81 0.91 0.00 0.00 10 V 8.07 4.57 2.08 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 0.86 0.00 0.00 0.96 0.00 0.00 11 K 8.38 4.69 0.00 1.71 1.79 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.49 7.81 12 M 7.54 4.70 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 13 E 8.60 4.63 0.00 2.08 2.06 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 2.69 2.53 0.00 14 S 8.22 4.27 0.00 4.30 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 0.00 15 S 7.81 4.50 0.00 3.83 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 16 A 8.24 4.54 -0.17 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 17 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 3.24 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 1.17 0.00 0.00 19 G 6.92 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 0.00 0.00 0.00 20 F 5.46 4.20 0.00 3.01 3.18 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 0.00 0.00 0.00 0.00 21 Y 7.75 5.30 0.00 2.97 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 22 Y 8.91 4.35 0.00 3.07 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 23 T 8.21 3.81 4.31 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 1.16 0.00 0.00 24 T 8.55 4.30 4.25 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 1.16 0.00 0.00 25 T 7.41 4.82 4.20 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 0.00 0.00 1.23 0.00 0.00 26 K 7.82 4.72 0.00 1.68 1.74 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.65 7.81 27 N 7.58 4.35 0.00 2.72 2.60 0.00 0.00 5.70 7.66 0.00 0.00 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 6.38 4.61 0.00 1.92 2.15 0.00 3.14 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 29 R 8.43 4.14 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 N 8.20 4.37 0.00 2.69 2.88 0.00 0.00 6.90 7.08 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 31 T 7.53 4.20 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 1.20 0.00 0.00 32 Q 8.43 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 33 A 8.18 4.53 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 34 K 8.06 3.93 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.47 7.81 35 L 7.72 4.10 0.00 1.60 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.89 4.97 0.00 1.90 1.79 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 2.07 2.14 0.00 37 L 7.95 4.30 0.00 1.66 1.60 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.78 4.42 0.00 1.74 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.75 7.81 39 K 8.45 4.22 0.00 1.79 1.28 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.30 7.81 40 Y 8.97 3.78 0.00 2.94 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 41 D 8.25 4.46 0.00 2.41 2.08 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 42 P 0.00 5.16 0.00 2.10 1.14 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 43 V 8.77 3.75 2.03 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 0.50 0.00 0.00 0.80 0.00 0.00 44 A 7.44 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.75 3.76 0.00 1.83 1.62 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 46 K 8.22 4.44 0.00 1.67 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 H 8.01 4.75 0.00 3.12 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.79 3.24 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 0.33 0.00 0.00 0.76 0.00 0.00 49 V 8.52 3.02 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 0.77 0.00 0.00 0.90 0.00 0.00 50 F 9.04 4.40 0.00 3.29 3.03 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 0.00 0.00 0.00 0.00 51 R 8.49 4.58 0.00 1.75 1.91 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 8.13 3.76 0.00 2.38 1.94 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 2.32 2.36 0.00 53 K 7.51 4.25 0.00 1.61 1.60 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.39 7.81 54 K 7.93 4.17 0.00 1.75 1.65 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81