NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2086 8.3101 121.7852 55.5698 34.1937 175.3610 20 A 4.5173 7.6489 120.6447 49.5962 20.9260 174.1207 21 K 4.1275 8.6568 123.0178 56.1493 33.7026 177.0251 22 V 3.6800 7.9794 123.2563 65.3115 31.9874 177.4016 23 K 4.1425 7.7670 121.4977 59.4711 32.5087 176.8653 24 A 4.6638 7.1059 122.5867 50.3813 16.5100 177.1935 25 T 4.5513 7.2808 112.6717 63.2946 74.5055 174.1354 26 L 4.9632 7.7277 120.0953 52.6642 45.7630 178.0401 27 G 3.9486 8.5077 111.5299 45.2266 0.0000 173.5892 28 E 4.0996 8.7669 118.5111 56.5871 27.7305 175.2652 29 F 4.8986 7.8802 117.0914 54.6212 40.4430 175.9288 30 D 4.6162 8.5914 123.7943 52.8185 40.0101 176.3901 31 L 4.5986 8.4918 124.1012 56.2432 39.9337 177.6056 32 R 4.4261 8.3711 117.0724 56.3941 30.5541 174.8046 33 D 4.5863 7.8014 117.0550 52.3425 41.3318 175.6886 34 Y 4.5066 7.6381 127.5607 57.2792 38.1723 176.5790 35 R 4.6092 7.1814 116.0144 56.2550 34.3485 176.5073 36 N 4.6940 7.8806 116.8960 53.2963 34.7538 176.0173 37 V 3.5216 7.2857 119.0808 64.8582 32.2141 178.4178 38 E 3.7314 8.0149 116.3081 58.8280 29.2307 179.2518 39 V 3.6474 7.4911 118.2285 65.9332 31.8427 177.9475 40 L 3.6471 8.4299 118.9903 57.5251 41.4057 179.0654 41 K 3.9093 8.4529 119.0801 59.0159 32.1525 176.6251 42 R 4.5296 7.4479 117.7729 56.6230 31.2014 176.3432 43 F 4.6074 8.2983 112.8635 56.5402 42.7120 175.1137 44 L 5.5249 7.8356 122.0662 55.9947 41.5529 176.3982 45 S 3.7470 7.1437 118.4286 59.0175 65.6684 174.4835 46 E 4.6495 8.6714 118.2027 55.5608 31.3637 175.7793 47 T 4.7583 7.5362 108.1670 60.3006 69.7110 176.0250 48 G 4.0365 7.6622 109.0056 45.6346 0.0000 174.7473 49 K 4.0865 7.9182 118.9293 56.2482 32.6651 176.4349 50 I 4.2646 8.1169 122.4772 61.6717 37.9789 175.1048 51 L 4.8309 7.7304 123.3734 52.2435 43.8185 175.1650 52 P 4.5140 0.0000 0.0000 62.7428 32.5372 177.6595 53 R 4.2281 8.6309 118.9213 58.0392 30.2456 177.8536 54 R 4.3635 7.7286 116.3883 56.0541 30.6421 176.1750 55 R 4.6047 7.7302 119.1861 57.0052 37.2604 176.7688 56 T 4.0789 8.5107 108.1139 60.9180 69.7865 175.2636 57 G 4.2053 7.6202 109.6253 46.3055 0.0000 173.2426 58 L 4.6730 7.8103 117.3626 52.8791 43.5214 177.4530 59 S 4.4119 8.2502 115.3223 57.8965 64.6989 174.6733 60 A 3.9184 8.6109 123.0241 55.6825 17.7531 179.4638 61 K 3.7866 8.0908 116.1941 60.0343 32.2323 178.2549 62 E 3.9857 7.9128 118.0175 59.6148 29.3725 178.9542 63 Q 3.9956 8.5576 119.5924 59.5924 28.9025 179.8019 64 R 3.9040 7.7473 118.3130 59.3762 29.9206 178.9259 65 I 3.6939 7.4743 119.5076 64.2970 36.8947 178.0187 66 L 3.8262 8.0953 121.3113 58.0770 41.9192 178.7735 67 A 3.9881 7.9594 120.2096 54.9851 18.2424 179.1861 68 K 4.2012 8.2423 114.7225 58.0841 32.2647 177.6010 69 T 4.4730 7.1771 106.3759 62.6211 71.1762 176.2330 70 I 3.6220 8.1311 123.4473 64.3212 36.8507 178.2632 71 K 3.7761 7.8979 117.7113 59.4666 32.2129 179.1345 72 R 3.9712 7.8786 117.3991 59.3213 30.0451 178.5058 73 A 4.0583 8.0109 120.1799 55.5618 18.3736 179.6213 74 R 4.2979 7.9334 117.5955 59.1204 29.8806 179.3698 75 I 4.0440 7.5899 118.1956 64.0406 36.9635 177.6189 76 L 4.3269 8.1196 118.1324 54.8440 41.3581 178.6684 77 G 4.0922 8.3469 108.5962 45.5722 0.0000 175.8430 78 L 3.8594 7.4336 118.1897 56.8274 41.8804 176.9543 79 L 4.8790 7.4847 117.4291 51.9293 45.3471 174.3211 80 P 5.0345 0.0000 0.0000 62.3963 32.7252 175.5688 81 F 4.4998 8.3654 114.7892 57.9331 41.2565 175.8102 82 T 4.3333 7.6301 112.1573 62.0068 69.6497 171.4671 83 E 4.7377 8.3112 123.0352 54.7333 32.7340 175.1040 84 K 4.1642 8.5316 122.1914 55.8759 32.8228 176.6287 85 L 3.9832 8.4300 124.3758 55.3822 42.5300 176.3703 86 V 4.1456 8.1427 124.9937 61.8218 33.3923 171.5500 87 R 3.7113 8.6675 132.6515 55.8305 30.1726 175.8265 88 K 4.1608 8.5434 124.8417 56.5287 32.4601 175.3888 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 K 8.31 4.21 0.00 1.70 1.89 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 20 A 7.65 4.52 1.21 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 21 K 8.66 4.13 0.00 1.79 1.73 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.36 7.81 22 V 7.98 3.68 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 0.06 0.00 0.00 0.78 0.00 0.00 23 K 7.77 4.14 0.00 2.21 1.82 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.50 7.81 24 A 7.11 4.66 1.33 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 0.00 0.00 25 T 7.28 4.55 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 1.20 0.00 0.00 26 L 7.73 4.96 0.00 2.06 1.85 0.68 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.51 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.77 4.10 0.00 1.98 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 2.29 2.30 0.00 29 F 7.88 4.90 0.00 3.01 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 30 D 8.59 4.62 0.00 2.79 2.66 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 31 L 8.49 4.60 0.00 1.88 2.27 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.37 4.43 0.00 1.74 2.29 0.00 3.30 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 33 D 7.80 4.59 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.64 4.51 0.00 3.09 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 35 R 7.18 4.61 0.00 1.67 1.87 0.00 3.14 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 36 N 7.88 4.69 0.00 2.75 2.71 0.00 0.00 6.88 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 37 V 7.29 3.52 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 0.98 0.00 0.00 0.93 0.00 0.00 38 E 8.01 3.73 0.00 1.92 2.00 0.00 0.00 0.00 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 39 V 7.49 3.65 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 0.69 0.00 0.00 0.94 0.00 0.00 40 L 8.43 3.65 0.00 1.62 1.58 0.93 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 41 K 8.45 3.91 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.54 7.81 42 R 7.45 4.53 0.00 1.68 1.90 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 43 F 8.30 4.61 0.00 3.26 2.99 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 44 L 7.84 5.52 0.00 1.76 1.63 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.14 3.75 0.00 4.05 3.67 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 0.00 0.00 0.00 46 E 8.67 4.65 0.00 1.92 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 0.00 2.19 2.20 0.00 47 T 7.54 4.76 4.25 0.00 0.00 0.00 0.00 0.00 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 G 7.66 4.04 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 0.00 49 K 7.92 4.09 0.00 1.84 1.75 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.47 7.81 50 I 8.12 4.26 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.95 0.00 0.00 51 L 7.73 4.83 0.00 1.61 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.51 0.00 2.07 1.98 0.00 3.60 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 2.12 2.14 0.00 53 R 8.63 4.23 0.00 1.89 1.99 0.00 3.41 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 54 R 7.73 4.36 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 55 R 7.73 4.60 0.00 1.90 1.84 0.00 3.24 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 56 T 8.51 4.08 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 57 G 7.62 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 58 L 7.81 4.67 0.00 1.71 1.74 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.25 4.41 0.00 4.08 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 60 A 8.61 3.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.09 3.79 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.56 7.81 62 E 7.91 3.99 0.00 2.37 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 2.32 0.00 63 Q 8.56 4.00 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 64 R 7.75 3.90 0.00 2.03 1.95 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 65 I 7.47 3.69 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 1.40 1.20 0.92 0.00 0.00 66 L 8.10 3.83 0.00 1.74 1.72 0.39 1.16 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 67 A 7.96 3.99 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 K 8.24 4.20 0.00 1.85 1.87 0.00 1.52 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 69 T 7.18 4.47 4.30 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 1.28 0.00 0.00 70 I 8.13 3.62 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.84 0.00 0.00 71 K 7.90 3.78 0.00 1.73 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.46 7.81 72 R 7.88 3.97 0.00 1.98 1.75 0.00 3.05 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 73 A 8.01 4.06 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 74 R 7.93 4.30 0.00 1.66 1.71 0.00 2.90 0.00 0.00 2.71 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 75 I 7.59 4.04 2.13 0.00 0.00 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 1.75 0.77 0.94 0.00 0.00 76 L 8.12 4.33 0.00 1.89 1.74 0.93 0.82 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 77 G 8.35 4.09 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 0.00 0.00 0.00 78 L 7.43 3.86 0.00 1.72 1.79 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.48 4.88 0.00 1.67 1.50 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 5.03 0.00 2.24 2.13 0.00 3.73 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 2.00 2.01 0.00 81 F 8.37 4.50 0.00 2.93 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.33 4.31 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 1.28 0.00 0.00 83 E 8.31 4.74 0.00 2.16 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 2.22 2.45 0.00 84 K 8.53 4.16 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.38 7.81 85 L 8.43 3.98 0.00 1.59 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 4.15 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 0.85 0.00 0.00 1.00 0.00 0.00 87 R 8.67 3.71 0.00 1.97 1.92 0.00 3.23 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 88 K 8.54 4.16 0.00 1.71 1.61 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81