NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7013 8.2833 118.2123 52.1981 39.1220 174.8558 7 I 3.4083 8.3558 118.6874 63.8670 36.7827 176.8159 8 Q 3.8266 8.7500 121.0985 59.3479 29.4088 177.6457 9 D 4.1781 8.6248 120.1556 57.2253 40.8715 178.8136 10 K 3.8452 8.2362 119.0768 59.3463 31.9379 179.3009 11 A 3.3852 7.7351 120.8148 54.9628 18.2034 179.7689 12 L 3.4803 7.4407 117.6655 57.3855 41.3967 179.4005 13 E 4.0261 8.3064 119.7305 59.2604 29.6085 178.3702 14 N 4.2175 7.8413 116.9912 56.7237 39.0427 176.8000 15 F 5.0309 7.8150 120.8425 59.9535 38.8513 177.5862 16 K 4.3212 8.7874 120.6619 59.2168 31.9290 178.8168 17 A 4.0746 8.3755 119.8675 54.3476 18.3180 178.2815 18 N 4.7638 7.9994 112.0292 51.8934 39.5432 174.6569 19 Q 3.4787 8.0168 118.7523 56.7785 27.3868 174.2802 20 T 4.0215 7.7076 107.0420 61.7356 70.3434 173.5771 21 E 4.4598 8.7675 125.9630 56.1521 30.0044 175.4656 22 V 4.3179 8.9486 128.1477 61.2884 34.4379 174.3758 23 T 4.7199 8.7351 124.6851 62.0146 70.4146 173.6245 24 V 4.2980 8.7491 127.9973 61.6445 33.1514 174.5626 25 F 4.8895 8.9817 127.1924 56.0061 41.3625 175.4841 26 F 4.9779 8.9835 121.5063 55.6445 41.0995 177.0521 27 L 3.9863 8.7917 120.5079 57.8164 41.4021 178.3950 28 N 4.4995 8.1396 113.3429 52.6846 37.5490 175.8798 29 G 4.1631 8.4663 108.7861 45.5817 0.0000 174.1975 30 F 4.8171 8.4498 118.9281 57.6628 39.6036 173.8839 31 Q 4.9055 8.2015 118.9202 54.9893 31.8514 173.8822 32 M 4.7768 8.8486 119.6255 53.9784 36.0452 173.6130 33 K 4.8391 8.3013 124.8233 54.9898 34.5197 176.3628 34 G 4.0413 8.0442 109.6555 46.4147 0.0000 171.4058 35 V 4.8983 7.9853 120.1544 61.0355 34.7899 176.3576 36 I 4.5612 8.3635 128.3911 61.2271 37.2803 176.1875 37 E 4.2338 9.0806 128.2451 58.7313 30.4334 176.7974 38 E 4.6737 7.6766 116.6253 55.8291 33.6211 173.0815 39 Y 5.0535 7.4072 115.9562 57.0490 40.0509 173.3642 40 D 4.6025 8.8801 119.7407 52.4371 41.7346 175.0215 41 K 3.9909 8.7017 116.7036 59.6801 32.7923 176.7925 42 Y 5.0003 8.8231 116.3326 57.9665 41.1865 175.7257 43 V 5.1659 8.1842 110.5947 59.5512 36.9719 174.5228 44 V 4.8694 8.7441 120.8888 61.3979 35.0442 173.8972 45 S 5.1357 9.4354 123.0752 56.7193 64.2664 172.1907 46 L 5.1516 9.1013 130.2482 53.3018 44.4327 174.4042 47 N 4.9898 9.4889 126.4916 53.1441 40.2819 174.0145 48 S 5.3013 8.8693 123.6184 56.4981 67.2764 173.6629 49 Q 4.2662 8.6820 117.8591 57.8542 26.0720 176.2806 50 G 4.0073 9.6213 113.6965 45.6518 0.0000 170.9174 51 K 4.5937 7.6236 116.4859 54.7969 36.4111 174.3425 52 Q 4.8728 8.3572 121.6373 54.8823 30.8687 174.2787 53 H 4.9230 9.1149 122.9066 53.8572 32.2589 172.1849 54 L 5.0188 8.6461 125.2675 53.5483 43.4936 175.2071 55 I 4.6251 8.6914 127.7923 59.5866 40.3562 174.8121 56 Y 4.7047 8.4700 124.3099 57.2604 38.7090 176.8709 57 K 4.0450 9.3114 125.4063 59.6148 32.3819 178.7760 58 H 4.3350 8.3967 112.6968 57.4422 28.7473 175.6161 59 A 4.6896 8.2623 122.4753 51.9243 19.5142 175.9468 60 I 4.4298 7.5914 118.1377 60.2316 38.5465 175.6338 61 S 4.6629 8.8026 120.5106 60.3150 64.1463 174.3848 62 T 4.6408 7.4339 108.8870 60.0721 72.1719 171.6326 63 Y 5.0945 8.5998 120.0934 56.6683 40.1651 175.3074 64 T 4.8407 9.1959 120.9927 61.9065 72.0754 173.6043 65 V 4.7636 8.2342 117.0999 59.2563 36.2605 175.4580 66 E 4.1427 8.6895 120.4339 56.8964 29.3833 177.1441 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 N 8.28 4.70 0.00 2.87 3.03 0.00 0.00 6.11 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.36 3.41 1.84 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 0.95 0.87 0.00 0.00 8 Q 8.75 3.83 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 9 D 8.62 4.18 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.85 0.00 1.77 1.75 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.55 7.81 11 A 7.74 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.44 3.48 0.00 0.79 0.13 0.48 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.31 4.03 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 14 N 7.84 4.22 0.00 2.70 2.55 0.00 0.00 7.28 7.11 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 15 F 7.81 5.03 0.00 3.10 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 16 K 8.79 4.32 0.00 2.14 2.12 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.57 7.81 17 A 8.38 4.07 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 18 N 8.00 4.76 0.00 2.85 2.87 0.00 0.00 7.15 7.85 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 19 Q 8.02 3.48 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 20 T 7.71 4.02 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 1.37 0.00 0.00 21 E 8.77 4.46 0.00 1.96 1.90 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 2.27 2.33 0.00 22 V 8.95 4.32 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 0.82 0.00 0.00 0.16 0.00 0.00 23 T 8.74 4.72 4.29 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 0.86 0.00 0.00 24 V 8.75 4.30 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 0.25 0.00 0.00 0.86 0.00 0.00 25 F 8.98 4.89 0.00 2.85 2.91 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 0.00 0.00 0.00 26 F 8.98 4.98 0.00 3.12 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 27 L 8.79 3.99 0.00 1.67 1.76 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.14 4.50 0.00 2.48 2.67 0.00 0.00 6.23 7.00 0.00 0.00 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 G 8.47 4.16 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 0.00 0.00 0.00 30 F 8.45 4.82 0.00 3.21 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 31 Q 8.20 4.91 0.00 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.70 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 32 M 8.85 4.78 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 33 K 8.30 4.84 0.00 1.60 1.65 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.30 7.81 34 G 8.04 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 35 V 7.99 4.90 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 1.00 0.00 0.00 0.99 0.00 0.00 36 I 8.36 4.56 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.52 1.08 0.00 0.00 37 E 9.08 4.23 0.00 1.90 2.03 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 2.51 2.46 0.00 38 E 7.68 4.67 0.00 2.00 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 2.23 2.27 0.00 39 Y 7.41 5.05 0.00 3.14 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 40 D 8.88 4.60 0.00 2.71 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 41 K 8.70 3.99 0.00 1.34 1.78 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.21 0.21 7.81 42 Y 8.82 5.00 0.00 3.02 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 43 V 8.18 5.17 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 0.75 0.00 0.00 0.98 0.00 0.00 44 V 8.74 4.87 2.21 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 1.16 0.00 0.00 1.14 0.00 0.00 45 S 9.44 5.14 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.10 5.15 0.00 1.80 1.56 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.49 4.99 0.00 2.94 2.70 0.00 0.00 6.53 7.52 0.00 0.00 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 S 8.87 5.30 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.68 4.27 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 50 G 9.62 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 0.00 0.00 0.00 51 K 7.62 4.59 0.00 1.75 1.52 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 52 Q 8.36 4.87 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 53 H 9.11 4.92 0.00 3.13 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.65 5.02 0.00 1.58 1.48 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.69 4.63 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 1.14 0.00 0.00 56 Y 8.47 4.70 0.00 2.89 2.41 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 0.00 57 K 9.31 4.05 0.00 1.96 1.99 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.55 7.81 58 H 8.40 4.34 0.00 3.24 3.51 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.26 4.69 1.58 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 60 I 7.59 4.43 1.83 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 0.96 0.77 0.34 0.00 0.00 61 S 8.80 4.66 0.00 3.79 3.98 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 62 T 7.43 4.64 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 1.11 0.00 0.00 63 Y 8.60 5.09 0.00 2.97 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 64 T 9.20 4.84 4.46 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 1.28 0.00 0.00 65 V 8.23 4.76 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 0.41 0.00 0.00 1.05 0.00 0.00 66 E 8.69 4.14 0.00 1.97 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 2.31 2.25 0.00