NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.7023 8.4244 117.7902 51.4038 39.9817 173.6941 23 R 4.0700 7.9317 119.6677 57.0240 30.6288 174.0305 24 Q 4.8347 10.0205 126.5707 54.1415 32.7509 173.8885 25 F 5.1669 8.7913 119.6900 55.6265 41.7169 174.6015 26 L 4.9553 9.3261 125.8423 53.1744 44.8974 175.1866 27 S 5.2774 8.7748 119.8857 56.6262 66.1538 172.9757 28 L 4.8310 8.7672 122.9620 53.9246 45.9027 175.1027 29 T 4.7401 8.4315 114.6031 60.2544 71.1305 174.1237 30 G 3.8246 8.5359 106.2352 46.2334 0.0000 172.7119 31 V 4.4142 8.0350 120.8181 61.4044 32.2837 176.3738 32 S 4.6749 8.4029 121.4889 58.9560 64.6529 174.1774 33 K 4.3447 7.6416 118.9046 55.5018 35.4046 173.8923 34 V 4.2959 8.3623 126.7178 61.8388 31.6678 175.2823 35 Q 4.2979 9.1732 131.4271 59.0821 29.6349 176.0547 36 S 4.6858 7.6178 109.9896 57.6440 65.8789 174.3608 37 F 5.2359 8.6047 122.6259 56.9455 42.4739 173.0656 38 D 3.9943 7.5206 123.0368 51.8417 44.4093 174.0613 39 P 4.6041 0.0000 0.0000 63.9949 32.0606 177.3970 40 K 4.9192 8.1202 117.7035 55.4018 34.1848 175.5370 41 E 5.1148 7.8015 120.4303 55.1999 33.8015 173.8137 42 I 5.0706 9.1039 127.6304 59.4859 41.0138 174.1748 43 L 5.1757 8.8814 126.7427 52.9267 44.3300 175.4079 44 L 5.1706 8.8420 123.8148 52.8857 45.3531 175.3752 45 E 4.8112 9.4286 123.5125 55.9594 31.0823 175.7552 46 T 4.9732 8.8452 119.0223 60.9508 70.4226 172.9917 47 I 3.7183 7.4950 117.5746 65.0715 37.0463 177.0233 48 Q 4.4580 9.9125 115.6372 55.1984 29.6381 175.8644 49 G 3.7934 6.8733 106.7515 44.7756 0.0000 172.5530 50 V 4.7982 8.3613 122.8100 61.3912 33.8962 175.2435 51 L 5.2054 9.0705 130.2285 53.6635 44.0894 174.6245 52 S 5.1304 9.1419 121.7871 56.6949 64.7838 172.5022 53 I 4.9275 8.8619 128.1961 59.5909 39.6412 174.7282 54 K 4.9432 9.6764 126.7144 53.4419 35.6247 176.9536 55 G 4.3250 7.6747 110.5518 46.1755 0.0000 172.0311 56 E 4.9264 8.6917 121.4955 55.4320 32.7164 174.9902 57 K 4.0625 8.4948 116.0772 57.4835 29.8186 175.5000 58 L 4.6305 8.1053 117.4865 54.7883 43.4908 177.0776 59 G 4.2633 9.0897 107.8798 45.0768 0.0000 171.7439 60 I 4.5935 7.5911 123.7081 60.1668 37.4570 175.7862 61 K 4.3760 9.0309 127.2191 57.9172 33.4886 176.6677 62 H 4.7531 7.8379 118.3237 54.8663 33.4743 172.3966 63 L 4.8180 8.0794 126.9451 53.9424 44.8874 174.6823 64 D 4.6944 9.2254 127.1199 52.2551 42.7573 176.1684 65 L 4.1051 8.6173 126.5089 57.1486 42.1806 179.3156 66 K 4.0618 8.1719 117.8601 59.0970 32.2227 178.0319 67 A 4.1944 8.2672 120.0793 52.0371 19.4084 178.0897 68 G 4.3861 8.1288 104.1852 46.1709 0.0000 172.3620 69 Q 5.1743 7.3929 118.6930 54.0785 31.1269 174.7738 70 V 5.0642 8.7068 124.8550 59.9938 35.4272 174.1885 71 E 5.1789 9.2578 121.5138 54.7460 33.1497 174.9627 72 V 5.0742 9.3213 124.2772 61.1073 35.3027 173.9671 73 E 4.7621 9.5436 122.6690 54.4610 33.4531 176.2830 74 G 3.6641 7.1692 107.3321 45.5163 0.0000 171.0941 75 L 4.7397 7.8328 122.8683 53.5630 42.7730 176.0512 76 I 4.5341 7.6354 123.0670 60.5574 37.3988 175.7986 77 D 4.7698 9.2398 127.2689 55.9035 42.2225 176.7409 78 A 4.6950 7.5322 117.2150 50.8840 22.7939 175.3671 79 L 5.1425 8.3746 118.9025 53.1311 45.5916 176.1732 80 V 4.5020 8.6952 123.4212 61.2318 34.7033 173.7901 81 Y 5.2175 8.4137 127.9662 56.1649 41.6318 172.0809 82 P 4.4843 0.0000 0.0000 61.6539 32.2639 176.2644 83 L 4.1903 8.9999 126.2642 54.5757 42.9029 176.5664 84 E 4.0899 8.5467 123.1638 56.3566 30.3788 177.4016 85 H 3.6596 9.1071 123.4670 59.5618 29.8469 176.6726 86 H 4.4173 8.0556 112.0317 57.7660 28.4294 175.2517 87 H 4.7673 7.9111 116.6716 55.9378 29.0328 174.9452 88 H 4.2833 7.7808 117.3039 55.7827 29.0104 174.7325 89 H 4.4794 8.9531 122.0706 55.4539 29.2859 175.0613 90 H 4.4981 8.5061 123.2971 56.0710 28.6843 175.5526 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 22 N 8.42 4.70 0.00 2.76 2.79 0.00 0.00 6.66 6.77 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 23 R 7.93 4.07 0.00 1.84 1.83 0.00 3.07 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.43 0.00 24 Q 10.02 4.83 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 25 F 8.79 5.17 0.00 2.89 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 26 L 9.33 4.96 0.00 1.64 1.47 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.77 5.28 0.00 3.97 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 28 L 8.77 4.83 0.00 1.67 1.42 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.43 4.74 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 30 G 8.54 3.82 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 0.00 0.00 0.00 31 V 8.03 4.41 2.17 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 1.03 0.00 0.00 0.88 0.00 0.00 32 S 8.40 4.67 0.00 3.91 3.97 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 33 K 7.64 4.34 0.00 1.81 1.62 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 34 V 8.36 4.30 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 0.88 0.00 0.00 0.91 0.00 0.00 35 Q 9.17 4.30 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 36 S 7.62 4.69 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 5.24 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.52 3.99 0.00 2.51 2.13 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 39 P 0.00 4.60 0.00 2.03 2.07 0.00 3.68 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 40 K 8.12 4.92 0.00 1.75 1.74 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.12 7.81 41 E 7.80 5.11 0.00 1.96 1.64 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 2.16 2.23 0.00 42 I 9.10 5.07 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.03 0.00 0.00 43 L 8.88 5.18 0.00 1.57 1.53 0.98 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.84 5.17 0.00 1.51 1.50 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.43 4.81 0.00 1.88 1.89 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 2.27 2.24 0.00 46 T 8.85 4.97 4.18 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 1.07 0.00 0.00 47 I 7.50 3.72 2.00 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 1.35 0.97 0.96 0.00 0.00 48 Q 9.91 4.46 0.00 1.65 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 49 G 6.87 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.36 4.80 1.97 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 0.96 0.00 0.00 0.64 0.00 0.00 51 L 9.07 5.21 0.00 1.43 1.40 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.14 5.13 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.86 4.93 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 1.22 0.49 0.91 0.00 0.00 54 K 9.68 4.94 0.00 1.64 1.64 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.33 7.81 55 G 7.67 4.32 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 0.00 56 E 8.69 4.93 0.00 2.05 1.97 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 2.16 2.26 0.00 57 K 8.49 4.06 0.00 1.86 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 58 L 8.11 4.63 0.00 1.71 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.09 4.26 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 0.00 60 I 7.59 4.59 1.49 0.00 0.00 0.70 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 -0.01 0.86 0.00 0.00 61 K 9.03 4.38 0.00 1.66 1.91 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.64 7.81 62 H 7.84 4.75 0.00 3.22 3.09 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.08 4.82 0.00 1.55 1.41 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 64 D 9.23 4.69 0.00 2.69 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 65 L 8.62 4.11 0.00 1.64 1.71 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.17 4.06 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 67 A 8.27 4.19 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 68 G 8.13 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 0.00 0.00 0.00 0.00 69 Q 7.39 5.17 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 70 V 8.71 5.06 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 0.74 0.00 0.00 0.98 0.00 0.00 71 E 9.26 5.18 0.00 2.02 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 2.23 2.24 0.00 72 V 9.32 5.07 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 1.04 0.00 0.00 0.94 0.00 0.00 73 E 9.54 4.76 0.00 1.16 1.67 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 0.00 2.13 2.13 0.00 74 G 7.17 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.83 4.74 0.00 1.85 1.60 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.64 4.53 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.96 0.00 0.00 77 D 9.24 4.77 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.53 4.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.37 5.14 0.00 1.50 1.56 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.70 4.50 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 1.06 0.00 0.00 0.95 0.00 0.00 81 Y 8.41 5.22 0.00 2.91 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 82 P 0.00 4.48 0.00 1.82 1.81 0.00 3.55 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.36 0.00 83 L 9.00 4.19 0.00 1.70 1.68 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.55 4.09 0.00 1.99 1.56 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 0.00 2.42 2.36 0.00 85 H 9.11 3.66 0.00 3.09 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.06 4.42 0.00 3.24 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.91 4.77 0.00 3.24 3.35 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.78 4.28 0.00 2.76 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.95 4.48 0.00 3.09 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.51 4.50 0.00 3.17 3.18 0.00 5.78 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