NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9023 8.0093 120.8002 63.6928 38.5496 175.5442 4 K 3.7144 7.7707 114.3401 56.6510 31.9932 169.8663 5 V 4.3605 8.8716 124.1248 61.1010 34.8735 174.2111 6 R 4.2623 7.9746 123.0457 54.2853 33.1038 174.4365 7 E 3.7884 8.1217 129.7141 56.3651 27.4822 176.7396 8 N 4.5511 8.3660 126.3043 50.8009 38.5990 174.3176 9 E 3.4717 8.4756 116.1691 55.9798 28.9291 170.8956 10 P 4.5868 0.0000 0.0000 59.9836 33.1463 174.3769 11 F 4.9049 7.0543 120.7591 57.0005 39.2531 172.9618 12 D 5.0075 8.3416 119.4786 52.6082 40.7514 175.6653 13 V 4.1215 7.7391 118.8165 60.0032 32.9098 176.7876 14 A 3.7825 9.0908 129.0349 54.5353 18.5508 178.3147 15 L 3.3519 7.1237 110.0863 57.1026 39.2397 175.2576 16 R 4.7230 7.8316 130.7699 55.1313 30.6163 177.1184 17 R 4.0783 7.9431 118.5312 59.2647 30.2242 178.6032 18 F 4.4043 8.3348 116.6057 60.2006 39.1940 177.3725 19 K 4.1895 8.0185 118.2874 59.5030 31.7771 179.0315 20 R 4.2609 7.8408 113.9666 57.3223 30.1068 177.3082 21 S 4.6386 7.7384 112.3747 57.6390 64.1484 172.7614 22 C 4.8709 8.1025 117.8480 58.5945 30.5399 176.4006 23 E 3.7734 9.5551 127.1193 58.8621 27.6656 180.4957 24 K 3.9617 9.3181 134.1595 56.8924 32.2220 173.1025 25 A 3.9722 8.9361 118.0335 55.9674 17.3383 179.7780 26 G 3.5750 7.2341 99.6510 49.5557 0.0000 174.0983 27 V 4.0348 7.6385 119.5436 62.1734 32.5693 176.4492 28 L 4.3901 7.5366 119.2032 57.0461 43.5210 177.9774 29 A 3.9216 9.3266 120.4981 55.6563 17.7267 178.3295 30 E 3.1468 6.8311 107.8729 60.2652 29.6400 179.3393 31 V 2.9318 7.5996 118.1189 63.9631 31.9373 182.9726 32 R 2.9169 6.7303 118.7729 55.6821 34.0658 175.6393 33 R 4.4386 7.6035 122.4275 55.0501 32.8175 172.1779 34 R 3.7912 7.9255 131.6764 55.8848 31.3642 174.7910 35 E 4.0055 7.2505 121.0322 55.6366 32.8971 174.4606 36 F 4.6272 8.1822 123.3388 54.6309 43.5969 174.7386 37 Y 4.1623 8.4898 128.2637 57.1163 38.9545 170.2704 38 E 6.3000 7.1033 128.7402 55.9568 33.1501 177.8613 39 K 4.1641 7.2299 121.4577 56.6332 32.7311 175.5647 40 P 4.5987 0.0000 0.0000 64.1356 31.3216 177.9819 41 T 3.9155 7.6142 116.5384 67.0673 68.4319 176.6647 42 T 3.9656 7.7181 109.8766 65.1783 69.1841 175.2320 43 E 3.8806 7.9028 121.1220 59.1234 29.3519 178.4550 44 R 3.9152 8.5379 119.5501 58.5600 30.3159 178.0989 45 K 4.3232 7.5415 116.5425 57.4627 32.2714 177.5392 46 R 4.3124 8.0942 117.2161 58.0002 30.3546 177.7119 47 A 4.2181 7.4911 118.8002 53.5046 18.1760 179.3487 48 K 3.8901 7.8671 118.3362 59.5389 32.3086 178.4244 49 A 4.0194 7.4154 118.2932 55.1028 17.0201 179.3380 50 S 4.2795 7.7288 113.9349 60.9639 63.3717 176.8769 51 A 4.5152 7.7879 124.7862 52.5589 17.7416 178.2576 52 V 4.2053 7.5902 118.2866 62.1948 32.5912 175.8313 53 K 4.1057 7.3979 127.3208 56.9175 31.9637 176.1575 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 3 I 8.01 3.90 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 1.21 0.00 0.00 4 K 7.77 3.71 0.00 2.09 2.14 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 5 V 8.87 4.36 2.07 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 0.81 0.00 0.00 0.87 0.00 0.00 6 R 7.97 4.26 0.00 1.80 1.81 0.00 3.41 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 E 8.12 3.79 0.00 2.29 2.45 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 2.29 2.31 0.00 8 N 8.37 4.55 0.00 2.64 2.56 0.00 0.00 7.40 7.65 0.00 0.00 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 E 8.48 3.47 0.00 1.90 1.92 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 2.29 2.33 0.00 10 P 0.00 4.59 0.00 2.09 1.92 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 11 F 7.05 4.90 0.00 3.14 3.16 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 12 D 8.34 5.01 0.00 2.64 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 13 V 7.74 4.12 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 0.34 0.00 0.00 0.82 0.00 0.00 14 A 9.09 3.78 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 15 L 7.12 3.35 0.00 1.78 2.02 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.83 4.72 0.00 1.87 1.85 0.00 3.31 0.00 0.00 3.42 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 17 R 7.94 4.08 0.00 2.01 2.07 0.00 3.24 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 18 F 8.33 4.40 0.00 2.90 3.12 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 0.00 0.00 0.00 19 K 8.02 4.19 0.00 1.87 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.65 7.81 20 R 7.84 4.26 0.00 1.87 1.99 0.00 3.34 0.00 0.00 3.17 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 21 S 7.74 4.64 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.87 0.00 2.84 1.81 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 23 E 9.56 3.77 0.00 2.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 24 K 9.32 3.96 0.00 2.02 1.83 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 25 A 8.94 3.97 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 26 G 7.23 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.03 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 0.73 0.00 0.00 0.90 0.00 0.00 28 L 7.54 4.39 0.00 1.80 1.57 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 29 A 9.33 3.92 1.32 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 0.00 0.00 30 E 6.83 3.15 0.00 1.95 1.77 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 2.29 2.36 0.00 31 V 7.60 2.93 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 0.89 0.00 0.00 0.91 0.00 0.00 32 R 6.73 2.92 0.00 2.17 2.10 0.00 3.40 0.00 0.00 3.12 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 33 R 7.60 4.44 0.00 1.77 1.74 0.00 3.47 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 34 R 7.93 3.79 0.00 2.01 1.94 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 35 E 7.25 4.01 0.00 2.02 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 2.44 2.64 0.00 36 F 8.18 4.63 0.00 2.99 2.90 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 37 Y 8.49 4.16 0.00 3.26 3.11 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 0.00 0.00 0.00 38 E 7.10 6.30 0.00 2.08 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 2.16 2.03 0.00 39 K 7.23 4.16 0.00 1.63 1.65 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.59 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.50 1.13 7.81 40 P 0.00 4.60 0.00 2.49 2.88 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 41 T 7.61 3.92 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 1.24 0.00 0.00 42 T 7.72 3.97 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 1.22 0.00 0.00 43 E 7.90 3.88 0.00 2.36 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 2.35 2.37 0.00 44 R 8.54 3.92 0.00 2.03 2.03 0.00 3.20 0.00 0.00 3.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 45 K 7.54 4.32 0.00 2.00 1.80 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 46 R 8.09 4.31 0.00 2.07 1.94 0.00 3.33 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 47 A 7.49 4.22 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 48 K 7.87 3.89 0.00 1.84 2.05 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 49 A 7.42 4.02 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 50 S 7.73 4.28 0.00 4.04 3.88 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 0.00 0.00 0.00 51 A 7.79 4.52 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.21 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 0.80 0.00 0.00 0.93 0.00 0.00 53 K 7.40 4.11 0.00 1.84 1.72 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81