NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.1730 8.2876 121.4593 55.5912 31.5226 176.7092 20 I 4.3349 7.6416 108.2642 58.9578 39.0899 173.0157 21 D 5.0039 7.7279 119.5208 52.4083 45.3775 175.8274 22 Y 4.4287 7.9728 120.9636 59.1279 38.8425 177.6240 23 K 4.0797 6.4101 114.7236 57.7235 32.5642 176.0513 24 D 4.7613 7.8600 120.3643 54.7689 41.8183 178.4561 25 I 3.5496 7.8407 113.7336 63.9598 37.9556 177.1734 26 A 3.9891 8.3273 123.5719 55.5592 18.1029 179.5034 27 T 4.6951 7.9811 110.3988 64.2572 69.0772 176.2836 28 L 4.9124 8.0248 120.6528 55.7202 44.8780 179.0055 29 K 4.1712 7.6510 116.6472 57.9832 31.9155 177.0234 30 N 4.5515 7.8791 115.0911 53.2489 38.2963 175.1128 31 Y 4.5945 8.4019 116.0700 57.6332 38.7513 174.8942 32 I 4.5922 7.3295 120.7748 59.2084 39.9853 176.0950 33 T 4.2348 8.6679 114.8855 61.7731 69.6800 173.7129 34 E 4.6586 8.4363 119.1064 57.0013 30.0870 177.0239 35 S 4.7338 7.8095 111.1543 56.6729 65.9106 174.6881 36 G 4.0964 8.5293 108.8723 45.6551 0.0000 174.8703 37 K 4.1892 7.7622 118.0410 56.2154 33.5969 177.2795 38 I 4.3257 7.8998 114.0322 60.6160 39.8595 174.7717 39 V 4.5878 7.7801 114.2637 58.9998 35.1875 174.4200 40 P 4.3943 0.0000 0.0000 62.8772 31.5625 177.5796 41 S 4.6460 9.3765 118.9417 60.5143 63.0147 176.0534 42 R 4.0563 7.6762 117.0931 59.2635 29.3736 179.6047 43 I 4.2891 7.5630 111.2667 60.2452 37.5017 176.6465 44 T 4.5435 8.4306 107.7482 62.3798 70.5418 174.8889 45 G 4.1047 8.1620 116.4180 47.2711 0.0000 174.2747 46 T 3.8395 7.6656 112.4598 61.2842 68.1911 173.9822 47 R 4.3411 8.4814 126.7164 55.1963 32.8589 177.2938 48 A 3.9761 8.3266 120.4784 55.2902 17.9365 179.2873 49 K 3.7462 8.0676 116.9209 60.1466 32.0366 178.4111 50 Y 4.2210 7.8596 116.0902 61.1474 37.9265 177.2616 51 Q 3.8927 8.4372 120.8246 60.0031 29.1301 178.1660 52 R 3.9150 8.2926 117.8053 60.2173 29.9369 178.2757 53 Q 3.9721 7.8058 120.0819 60.0133 29.4569 178.4739 54 L 4.0440 8.5046 122.7840 56.3961 42.0530 178.3422 55 A 3.9332 8.9627 121.2311 55.6075 18.6529 179.7028 56 R 3.8630 8.1100 115.9288 59.6054 30.1663 179.0032 57 A 4.1212 8.1753 120.2703 55.2316 18.2699 179.8257 58 I 3.5913 7.7366 118.1848 64.7320 37.0325 178.1587 59 K 3.6863 8.1191 117.3626 60.0518 32.2376 178.7218 60 R 4.3953 8.2231 115.1850 59.5759 29.1135 178.6340 61 A 4.0241 7.9150 121.3043 55.1673 18.3959 179.7149 62 R 3.9151 7.7734 117.7497 58.7940 29.7415 178.1906 63 Y 4.5059 7.2377 112.5934 58.8533 37.9885 176.0580 64 L 4.7389 7.7988 119.9200 53.7381 42.8419 176.5501 65 S 3.7350 8.0262 110.6813 59.2103 61.3190 173.2280 66 L 4.3883 7.4639 118.0140 55.3585 42.0661 177.2474 67 L 4.8340 7.4276 117.2306 51.9491 45.4608 173.6510 68 P 4.7172 0.0000 0.0000 62.2011 32.4552 176.1898 69 Y 3.9213 8.6624 118.8782 60.8477 38.0875 175.4868 70 T 5.4737 7.3387 106.6171 60.7622 71.7417 173.1399 71 D 4.5913 8.6722 120.7070 56.6225 41.4288 179.4864 72 R 4.0283 7.9745 114.1689 59.2989 29.6454 175.8533 73 H 4.3033 7.6706 122.3494 56.7307 30.4188 172.9641 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 19 E 8.29 4.17 0.00 1.92 1.88 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 1.97 1.97 0.00 20 I 7.64 4.33 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.88 0.00 0.00 21 D 7.73 5.00 0.00 2.51 2.39 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 22 Y 7.97 4.43 0.00 3.27 3.33 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 23 K 6.41 4.08 0.00 1.78 1.84 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.07 0.56 7.81 24 D 7.86 4.76 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 25 I 7.84 3.55 1.88 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 0.29 0.94 0.00 0.00 26 A 8.33 3.99 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 27 T 7.98 4.70 4.38 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 1.30 0.00 0.00 28 L 8.02 4.91 0.00 1.91 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.65 4.17 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 30 N 7.88 4.55 0.00 2.33 2.73 0.00 0.00 5.99 7.55 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 31 Y 8.40 4.59 0.00 3.06 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 32 I 7.33 4.59 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.97 0.00 0.00 33 T 8.67 4.23 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 1.27 0.00 0.00 34 E 8.44 4.66 0.00 1.95 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 2.24 2.36 0.00 35 S 7.81 4.73 0.00 3.85 3.80 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 36 G 8.53 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 0.00 0.00 0.00 37 K 7.76 4.19 0.00 1.96 1.96 0.00 1.51 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.43 7.81 38 I 7.90 4.33 1.91 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 1.36 0.88 0.91 0.00 0.00 39 V 7.78 4.59 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 0.73 0.00 0.00 1.07 0.00 0.00 40 P 0.00 4.39 0.00 2.09 2.01 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 41 S 9.38 4.65 0.00 4.22 4.22 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 42 R 7.68 4.06 0.00 2.13 2.22 0.00 2.83 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 43 I 7.56 4.29 1.89 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 1.53 0.71 0.92 0.00 0.00 44 T 8.43 4.54 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 1.27 0.00 0.00 45 G 8.16 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 0.00 0.00 0.00 46 T 7.67 3.84 4.42 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 1.42 0.00 0.00 47 R 8.48 4.34 0.00 1.68 1.74 0.00 2.82 0.00 0.00 2.38 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 48 A 8.33 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.75 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.60 7.81 50 Y 7.86 4.22 0.00 3.12 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 3.89 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 52 R 8.29 3.92 0.00 1.90 1.94 0.00 3.21 0.00 0.00 3.10 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 53 Q 7.81 3.97 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 54 L 8.50 4.04 0.00 1.65 1.64 -0.30 0.50 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 55 A 8.96 3.93 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 56 R 8.11 3.86 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 57 A 8.18 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.59 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.85 0.00 0.00 59 K 8.12 3.69 0.00 1.93 2.02 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.70 7.81 60 R 8.22 4.40 0.00 1.87 2.16 0.00 2.85 0.00 0.00 2.92 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 61 A 7.91 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 3.92 0.00 1.08 0.88 0.00 2.41 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 63 Y 7.24 4.51 0.00 3.15 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 64 L 7.80 4.74 0.00 1.94 1.67 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.03 3.73 0.00 3.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 4.39 0.00 1.77 1.74 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.43 4.83 0.00 1.52 1.41 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.72 0.00 2.53 2.04 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 69 Y 8.66 3.92 0.00 2.91 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 70 T 7.34 5.47 4.28 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 1.27 0.00 0.00 71 D 8.67 4.59 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 4.03 0.00 1.93 2.09 0.00 3.27 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 73 H 7.67 4.30 0.00 2.98 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00