NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.4033 8.2544 119.6822 55.5646 32.0223 174.1805 10 V 4.1584 7.2647 118.5698 60.7144 32.7599 174.1397 11 F 4.8637 8.9471 126.2725 55.0895 44.0334 173.7231 12 A 4.3455 8.9000 124.6519 52.3916 19.1954 176.1714 13 A 4.9359 8.6565 124.3784 50.3741 20.8226 176.0446 14 E 4.1972 9.2371 123.8523 58.6624 30.4815 176.4216 15 A 4.4184 7.3606 117.4217 51.1146 22.6315 174.8653 16 L 4.6583 8.4623 119.8653 53.9452 42.2715 176.7311 17 L 4.4983 8.9916 124.3612 56.6022 42.9481 176.7955 18 K 5.0450 7.7148 115.6007 55.3350 37.0553 174.9578 19 R 5.0017 8.7393 121.1265 54.7779 33.0928 174.1635 20 R 4.6906 9.0722 120.4183 55.0515 33.7861 173.2998 21 I 4.8347 8.0767 119.5589 59.5523 39.7127 175.8355 22 R 4.3257 8.7679 127.9490 56.0301 33.3985 176.2725 23 K 3.6551 9.7090 124.8811 55.6844 29.0468 172.2920 24 G 4.0116 8.4390 104.1466 46.4432 0.0000 174.0056 25 R 4.6271 7.5998 114.8381 53.9383 32.6657 173.6690 26 M 4.6806 8.3670 119.7140 55.1933 33.7552 174.6387 27 E 5.3588 9.1090 124.3455 54.9019 34.5292 174.1252 28 Y 5.2014 9.3207 119.1203 56.1265 42.3629 174.7688 29 L 3.8593 8.3345 125.8584 53.9809 42.9707 175.4725 30 V 4.0279 8.3025 128.3100 61.4352 33.0592 174.5173 31 K 4.2933 8.5301 130.2689 54.5640 33.5709 175.3515 32 W 4.9916 8.6027 127.4212 54.9812 31.1106 175.9545 33 K 4.1803 8.7959 125.8487 58.1329 31.9717 177.2708 34 G 4.0842 9.3270 114.0528 45.1564 0.0000 172.7914 35 W 4.6079 7.8436 118.3386 54.2418 32.3437 175.6107 36 S 4.5222 8.4192 115.7141 57.6716 63.6734 174.8147 37 Q 4.0489 8.7757 121.3370 58.9926 28.8332 178.3642 38 K 3.9358 7.9211 118.4591 59.0494 32.1705 176.6521 39 Y 4.4893 7.8905 113.0807 57.4849 38.3464 175.9721 40 S 4.7241 8.1013 117.9247 59.1727 64.2045 173.4954 41 T 4.7488 8.4074 112.7235 59.6198 72.2194 172.8318 42 W 4.9881 8.8801 123.3012 56.4496 30.2718 175.5489 43 E 5.0254 9.4967 124.6149 53.4487 32.7872 174.1975 44 P 4.7981 0.0000 0.0000 62.7114 32.1099 176.8715 45 E 4.1342 8.9088 121.3227 59.3716 29.6705 178.8190 46 E 4.1176 8.1059 114.9253 58.2781 29.9247 177.3095 47 N 4.4637 8.0716 116.4362 54.9050 38.8296 175.3815 48 I 4.0473 7.5512 119.6811 60.2633 36.1744 175.5793 49 L 4.0277 8.4014 126.4852 56.8473 42.1375 177.2093 50 D 4.5681 7.8505 119.1775 52.6671 41.1967 176.5408 51 A 4.0951 8.5021 129.5455 54.5911 18.2746 178.8599 52 R 3.8541 8.3994 117.1454 59.3228 30.0579 179.0121 53 L 3.9318 7.9205 118.8554 57.6791 41.5794 179.5395 54 L 3.7966 7.7152 118.3003 57.5168 41.5691 179.1571 55 A 4.0093 8.2256 120.6876 55.1721 18.1110 179.5950 56 A 3.9211 8.0080 118.3459 55.0991 18.7164 179.2980 57 F 4.1142 8.0944 118.7942 61.5524 39.2394 177.2591 58 E 4.0788 8.2675 117.0725 59.4029 29.3346 178.6015 59 E 4.0265 8.3139 118.8802 58.5634 29.6537 177.3381 60 R 4.2212 7.4957 119.5530 56.2715 29.9848 175.9416 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 9 R 8.25 4.40 0.00 1.83 2.09 0.00 3.18 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 10 V 7.26 4.16 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 0.80 0.00 0.00 0.92 0.00 0.00 11 F 8.95 4.86 0.00 2.62 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.90 4.35 1.39 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 0.00 0.00 13 A 8.66 4.94 0.91 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 0.00 0.00 14 E 9.24 4.20 0.00 1.97 2.10 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 2.31 2.30 0.00 15 A 7.36 4.42 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.66 0.00 1.61 1.48 0.09 0.63 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 17 L 8.99 4.50 0.00 1.34 1.68 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.71 5.05 0.00 1.65 1.91 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.46 7.81 19 R 8.74 5.00 0.00 1.19 1.71 0.00 2.92 0.00 0.00 2.61 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.00 20 R 9.07 4.69 0.00 1.56 1.68 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.22 0.00 21 I 8.08 4.83 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.85 0.00 0.00 22 R 8.77 4.33 0.00 1.62 1.64 0.00 3.25 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.36 0.00 23 K 9.71 3.66 0.00 1.89 1.71 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 0.98 7.81 24 G 8.44 4.01 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 0.00 0.00 0.00 25 R 7.60 4.63 0.00 1.97 1.96 0.00 2.78 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 26 M 8.37 4.68 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 27 E 9.11 5.36 0.00 1.97 2.10 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 2.27 2.25 0.00 28 Y 9.32 5.20 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.86 0.00 0.27 0.82 -0.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.30 4.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 0.58 0.00 0.00 31 K 8.53 4.29 0.00 1.69 1.67 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 32 W 8.60 4.99 0.00 3.19 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 33 K 8.80 4.18 0.00 1.85 1.92 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.49 7.81 34 G 9.33 4.08 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 0.00 0.00 0.00 35 W 7.84 4.61 0.00 3.45 3.21 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 0.00 36 S 8.42 4.52 0.00 4.10 4.08 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 37 Q 8.78 4.05 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 38 K 7.92 3.94 0.00 1.79 2.06 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 39 Y 7.89 4.49 0.00 3.50 3.30 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 40 S 8.10 4.72 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.41 4.75 4.45 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 1.33 0.00 0.00 42 W 8.88 4.99 0.00 3.25 3.23 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 43 E 9.50 5.03 0.00 1.87 1.91 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 2.51 2.57 0.00 44 P 0.00 4.80 0.00 2.61 2.23 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.02 0.00 45 E 8.91 4.13 0.00 2.20 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 2.43 2.59 0.00 46 E 8.11 4.12 0.00 2.14 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 2.31 2.30 0.00 47 N 8.07 4.46 0.00 3.02 3.02 0.00 0.00 6.99 7.07 0.00 0.00 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 I 7.55 4.05 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.69 0.00 0.00 49 L 8.40 4.03 0.00 1.66 1.73 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.85 4.57 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.10 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 52 R 8.40 3.85 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 53 L 7.92 3.93 0.00 1.69 1.54 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.72 3.80 0.00 1.77 1.62 0.87 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 4.01 1.36 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 0.00 0.00 56 A 8.01 3.92 1.31 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 0.00 0.00 57 F 8.09 4.11 0.00 3.10 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 58 E 8.27 4.08 0.00 2.21 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 2.73 2.56 0.00 59 E 8.31 4.03 0.00 2.09 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 2.31 2.35 0.00 60 R 7.50 4.22 0.00 1.87 1.78 0.00 2.96 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.00