NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0784 8.0544 120.3360 61.5044 32.5994 174.1252 7 D 4.7116 8.7915 124.3221 52.4004 42.3840 174.7722 8 C 4.9195 8.4914 125.3047 56.9012 36.7611 175.0051 9 S 4.1306 8.6605 118.2500 61.2083 62.8286 174.9992 10 E 4.5745 8.3499 118.8132 56.4168 29.2837 175.2670 11 Y 4.3508 7.6652 117.3846 55.2798 40.3727 173.7060 12 P 5.0918 0.0000 0.0000 62.3505 32.0516 175.6110 13 K 4.5559 8.8908 117.6423 53.7627 35.0942 176.2249 14 P 4.3437 0.0000 0.0000 64.8641 31.7092 175.9943 15 A 4.7449 7.2673 120.7515 50.9563 22.2683 174.5099 16 C 5.1380 8.3840 116.5433 54.9058 43.7757 174.5307 17 T 4.2707 8.5069 112.8757 61.8808 69.1176 173.9926 18 G 4.2134 8.2950 108.8835 45.0808 0.0000 173.5200 19 E 4.2214 8.2848 116.8633 55.6671 30.6122 175.1679 20 Y 4.8222 8.4230 121.0684 56.3637 39.9323 176.0657 21 R 4.5263 8.5598 127.4864 53.8328 32.5839 172.9766 22 P 4.7708 0.0000 0.0000 62.5416 33.1902 175.5048 23 L 4.8699 8.6994 119.8440 53.1260 46.3700 174.7183 24 C 4.8607 8.9587 123.2793 54.9483 46.2276 173.5697 25 G 4.6380 8.8907 114.4857 45.6033 0.0000 174.3366 26 S 4.4318 9.2794 115.6634 59.9411 63.1483 174.6621 27 D 4.6708 8.1459 119.9553 52.9245 39.3326 176.3168 28 N 4.2240 8.1199 114.5860 54.1051 37.0008 173.6539 29 K 4.2716 8.1146 120.2760 55.0799 33.3278 175.8046 30 T 4.4139 8.1733 122.8467 63.3552 69.1184 173.6043 31 Y 4.3722 8.8909 125.5384 56.4983 39.2741 177.2106 32 G 3.7288 8.8942 113.4150 47.7201 0.0000 172.3494 33 N 5.3181 7.6010 117.5772 51.6952 40.6162 175.0819 34 K 3.9267 8.3425 121.0048 59.8832 32.1784 179.0078 35 C 4.6880 8.2228 119.5460 59.3363 37.8245 175.1639 36 N 4.3597 9.0579 118.6069 56.2173 38.1467 177.2167 37 F 3.4963 8.5035 122.2655 61.3753 39.5040 176.6490 38 C 3.7283 8.2667 116.3936 59.6942 40.8699 175.8212 39 N 4.2437 8.0687 117.9464 55.8977 38.1036 177.3452 40 A 3.8743 7.5319 122.0449 54.6378 18.3379 179.7077 41 V 3.1434 7.0228 116.9321 66.0437 31.5102 178.3557 42 V 3.4915 7.4176 117.7246 66.1122 31.1606 177.6470 43 E 4.1829 8.0160 117.8148 58.5562 29.8335 177.8284 44 S 4.4167 7.9477 112.7683 57.1906 63.5322 173.4139 45 N 4.3922 9.1486 120.0488 55.1940 37.3495 174.8069 46 G 3.8947 8.1686 102.8270 45.8841 0.0000 175.0716 47 T 4.1426 7.4090 109.8834 62.5267 69.5469 175.1346 48 L 4.1765 7.5468 124.8967 54.7237 42.7869 175.3773 49 T 4.8445 8.7791 115.1694 59.4647 72.9382 172.1730 50 L 4.2250 8.4668 123.8546 55.0044 42.0531 175.8935 51 S 4.5045 9.1228 122.4141 60.3647 63.2705 173.3107 52 H 4.3788 7.0696 112.1442 54.7174 31.1331 173.2076 53 F 4.1926 8.5774 117.9353 58.1820 39.3907 176.2171 54 G 3.9615 8.3815 109.5788 44.6386 0.0000 173.3616 55 K 4.2335 8.0222 117.5294 56.0561 32.7359 178.3570 56 C 4.4960 8.9689 117.7569 57.4911 41.0822 173.9361 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 V 8.05 4.08 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 0.96 0.00 0.00 0.98 0.00 0.00 7 D 8.79 4.71 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.49 4.92 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 4.13 0.00 4.03 4.36 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 10 E 8.35 4.57 0.00 1.82 1.95 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 2.31 2.43 0.00 11 Y 7.67 4.35 0.00 3.18 2.92 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 0.00 0.00 0.00 12 P 0.00 5.09 0.00 2.20 2.11 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 13 K 8.89 4.56 0.00 1.70 1.59 0.00 0.89 0.00 0.00 1.50 0.00 0.00 2.59 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.04 0.62 7.81 14 P 0.00 4.34 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.27 4.74 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 16 C 8.38 5.14 0.00 2.99 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 17 T 8.51 4.27 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 1.24 0.00 0.00 18 G 8.29 4.21 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 0.00 0.00 0.00 19 E 8.28 4.22 0.00 2.15 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 2.32 2.27 0.00 20 Y 8.42 4.82 0.00 2.90 2.96 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 0.00 0.00 0.00 21 R 8.56 4.53 0.00 1.64 1.71 0.00 3.19 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 22 P 0.00 4.77 0.00 1.96 1.50 0.00 3.39 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 23 L 8.70 4.87 0.00 1.39 1.04 0.53 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.96 4.86 0.00 2.77 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 25 G 8.89 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.28 4.43 0.00 3.97 4.03 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 27 D 8.15 4.67 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.12 4.22 0.00 2.92 2.97 0.00 0.00 6.76 7.21 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 29 K 8.11 4.27 0.00 1.70 1.42 0.00 1.49 0.00 0.00 1.32 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.70 1.16 7.81 30 T 8.17 4.41 4.21 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 1.23 0.00 0.00 31 Y 8.89 4.37 0.00 3.18 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 32 G 8.89 3.73 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 0.00 0.00 0.00 33 N 7.60 5.32 0.00 2.97 3.05 0.00 0.00 6.36 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 34 K 8.34 3.93 0.00 1.85 1.91 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.28 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.50 7.81 35 C 8.22 4.69 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.06 4.36 0.00 3.05 3.06 0.00 0.00 6.67 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 37 F 8.50 3.50 0.00 3.04 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 38 C 8.27 3.73 0.00 1.59 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.24 0.00 2.77 2.88 0.00 0.00 6.82 7.24 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 40 A 7.53 3.87 1.04 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 0.00 0.00 41 V 7.02 3.14 1.80 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 0.79 0.00 0.00 0.05 0.00 0.00 42 V 7.42 3.49 2.22 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 0.88 0.00 0.00 1.02 0.00 0.00 43 E 8.02 4.18 0.00 1.98 2.05 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 2.30 2.30 0.00 44 S 7.95 4.42 0.00 4.04 3.99 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 0.00 0.00 0.00 45 N 9.15 4.39 0.00 2.77 2.89 0.00 0.00 7.16 7.96 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 46 G 8.17 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 47 T 7.41 4.14 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 1.22 0.00 0.00 48 L 7.55 4.18 0.00 1.52 1.37 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.78 4.84 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 1.21 0.00 0.00 50 L 8.47 4.23 0.00 1.31 1.39 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.12 4.50 0.00 3.85 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 52 H 7.07 4.38 0.00 3.22 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.58 4.19 0.00 3.08 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 54 G 8.38 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.02 4.23 0.00 1.80 1.79 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.54 7.81 56 C 8.97 4.50 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00