NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9205 8.1293 121.6792 57.9570 38.5796 174.0407 2 D 4.2642 8.3341 123.2638 51.6257 39.9807 176.3441 3 G 3.8343 8.5831 108.4439 46.3029 0.0000 175.4174 4 Q 4.2696 8.5201 117.4900 55.5761 29.1772 175.3269 5 N 4.7352 7.9206 117.2978 52.0168 38.7777 173.4930 6 C 5.0203 8.3785 122.5956 54.9319 42.0048 174.7298 7 K 4.0065 8.3816 123.6351 59.2013 32.9756 176.8695 8 E 4.7288 7.6817 116.9402 53.9088 33.4800 172.4317 9 P 4.3755 0.0000 0.0000 64.2787 31.5856 177.2805 10 G 3.9554 9.2401 111.1459 45.5078 0.0000 173.1246 11 N 4.8861 8.3573 118.3152 51.7074 39.1001 173.2012 12 C 5.0790 8.4811 117.2429 55.6173 41.5462 174.3247 13 W 4.3872 7.6148 127.7532 57.5852 30.8094 175.1154 14 E 3.8333 5.9000 122.4401 53.7182 32.9445 175.1124 15 N 3.7194 7.2299 119.6335 52.1305 38.3675 175.2449 16 K 4.1575 8.1243 120.1618 55.0312 33.0025 174.7261 17 P 4.3815 0.0000 0.0000 64.8718 31.1534 176.7365 18 G 3.8826 9.2715 111.4185 45.0689 0.0000 172.2406 19 Y 4.8321 7.6797 116.7363 55.0691 40.6570 173.9448 20 P 4.6447 0.0000 0.0000 62.6356 32.3332 176.5694 21 E 4.3876 8.8233 119.5716 58.5641 29.8217 177.7083 22 K 4.7022 7.8461 116.9274 54.4686 35.5227 176.2133 23 I 4.0542 8.3743 115.9169 62.2536 38.4458 175.7656 24 A 4.2325 7.8886 124.8400 53.7163 18.3502 177.6286 25 G 3.9065 9.6814 112.6712 45.2349 0.0000 173.1627 26 S 4.6624 7.9807 115.3424 56.0070 65.1199 174.8969 27 K 4.0498 8.2198 118.1688 58.6712 32.2682 176.9927 28 Y 4.7762 7.4150 116.5470 57.6504 38.2421 175.0059 29 D 4.4715 7.9119 121.2752 53.8749 41.2959 174.8052 30 P 4.2417 0.0000 0.0000 63.6795 31.9167 176.1780 31 K 3.7926 8.2758 118.0816 57.3943 30.1602 175.0694 32 H 4.3587 7.8639 113.7848 55.8264 29.7364 175.6399 33 D 4.6130 8.5688 122.4422 52.8607 42.2829 175.0839 34 P 4.2218 0.0000 0.0000 65.9685 31.2232 178.7113 35 V 3.5724 7.7441 114.8335 65.9640 31.8933 177.0896 36 E 4.0659 8.3994 119.0531 59.3707 29.2478 178.7891 37 L 4.0309 7.9577 118.0886 57.5299 41.9444 178.3081 38 N 4.7004 7.7975 114.0636 53.5018 38.5980 177.0931 39 K 3.9860 7.9555 122.2649 59.5557 32.0730 179.1596 40 Q 3.9752 7.9818 117.8347 58.9259 28.7615 178.2097 41 E 3.9239 8.1092 119.8178 59.3304 29.8137 178.5021 42 E 3.9742 8.2022 118.6813 59.4090 29.4199 179.3266 43 S 4.0998 8.2471 113.1871 61.4942 62.5028 176.2863 44 I 3.6952 7.9537 122.6234 64.0473 36.8328 178.3195 45 K 3.8770 8.2064 120.3130 59.4992 32.0615 178.7681 46 A 3.9785 7.8282 120.5260 55.2512 18.3006 179.2396 47 M 3.9392 8.2913 116.9448 59.0310 32.3372 178.1327 48 D 4.3691 8.6297 119.1413 57.3650 40.9690 178.7991 49 A 3.9819 7.8091 120.8240 55.1204 18.4655 179.9331 50 R 3.7983 7.9733 116.6614 59.4057 30.0374 179.0971 51 N 4.2922 8.3194 116.1008 56.1962 38.4717 177.2017 52 A 3.9786 8.1271 122.2672 55.1125 18.3355 179.6459 53 K 3.8151 7.9508 117.9066 59.6430 32.3007 179.3266 54 R 3.6052 7.6633 118.1214 59.1348 29.9199 179.1408 55 I 3.7772 8.1011 119.7126 64.2838 37.2313 178.3379 56 A 3.9570 8.1561 121.7454 55.3855 18.1850 179.5035 57 N 4.2497 8.3270 114.9244 56.2774 38.4543 177.5776 58 A 4.4955 7.9282 123.6262 54.5798 18.2466 179.6465 59 K 3.9274 7.9332 117.6178 59.3452 32.3415 178.7560 60 S 4.3706 7.9298 113.6629 60.2760 63.4058 175.7585 61 S 4.4869 8.3096 116.7231 58.0799 63.6757 175.4417 62 G 4.0238 8.7632 110.0240 44.9078 0.0000 172.8024 63 N 5.0470 7.8813 116.5649 51.1591 41.8047 173.1022 64 F 4.5932 8.8140 124.3283 56.8847 40.3524 174.9483 65 V 4.4111 7.3307 127.0757 60.8547 33.7422 174.8144 66 F 4.1551 9.2650 129.7556 60.9154 39.4994 175.0072 67 D 4.6920 8.0102 122.0949 52.3218 39.6396 174.8037 68 V 4.3578 7.2039 121.5926 59.2728 34.1103 176.3487 69 K 3.9181 8.4113 123.2012 57.2983 32.0951 174.0839 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 1 Y 8.13 4.92 0.00 2.64 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 2 D 8.33 4.26 0.00 2.78 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 3 G 8.58 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 0.00 0.00 0.00 4 Q 8.52 4.27 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 5 N 7.92 4.74 0.00 2.66 3.03 0.00 0.00 7.00 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 6 C 8.38 5.02 0.00 3.02 3.34 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 7 K 8.38 4.01 0.00 1.86 1.97 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.45 7.81 8 E 7.68 4.73 0.00 2.03 1.84 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 2.32 2.36 0.00 9 P 0.00 4.38 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 10 G 9.24 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 11 N 8.36 4.89 0.00 2.72 2.81 0.00 0.00 6.98 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 12 C 8.48 5.08 0.00 3.08 3.23 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 0.00 13 W 7.61 4.39 0.00 3.21 3.13 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 14 E 5.90 3.83 0.00 1.37 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 2.02 2.34 0.00 15 N 7.23 3.72 0.00 2.98 2.81 0.00 0.00 6.14 7.13 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 16 K 8.12 4.16 0.00 1.64 1.80 0.00 1.33 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.26 7.81 17 P 0.00 4.38 0.00 2.22 2.12 0.00 3.82 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 2.09 2.03 0.00 18 G 9.27 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 0.00 0.00 0.00 19 Y 7.68 4.83 0.00 3.15 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 20 P 0.00 4.64 0.00 2.55 2.16 0.00 4.20 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 21 E 8.82 4.39 0.00 2.07 2.18 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 2.53 2.37 0.00 22 K 7.85 4.70 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.45 7.81 23 I 8.37 4.05 1.98 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 1.34 1.06 1.02 0.00 0.00 24 A 7.89 4.23 1.27 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 0.00 0.00 0.00 25 G 9.68 3.91 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 0.00 26 S 7.98 4.66 0.00 3.99 4.06 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 0.00 0.00 0.00 27 K 8.22 4.05 0.00 1.60 1.75 0.00 1.16 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.81 0.21 7.81 28 Y 7.42 4.78 0.00 3.09 2.95 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 29 D 7.91 4.47 0.00 2.89 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 1.63 2.06 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 31 K 8.28 3.79 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.55 7.81 32 H 7.86 4.36 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.57 4.61 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 35 V 7.74 3.57 2.27 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 0.83 0.00 0.00 0.93 0.00 0.00 36 E 8.40 4.07 0.00 2.28 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 0.00 2.31 2.39 0.00 37 L 7.96 4.03 0.00 1.82 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.80 4.70 0.00 2.82 2.82 0.00 0.00 6.94 8.44 0.00 0.00 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 K 7.96 3.99 0.00 1.93 1.86 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.74 7.81 40 Q 7.98 3.98 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 E 8.11 3.92 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 8.20 3.97 0.00 2.20 1.98 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 2.53 2.46 0.00 43 S 8.25 4.10 0.00 3.89 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 44 I 7.95 3.70 2.00 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 1.41 0.51 0.95 0.00 0.00 45 K 8.21 3.88 0.00 1.93 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 46 A 7.83 3.98 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 47 M 8.29 3.94 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 48 D 8.63 4.37 0.00 2.91 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 49 A 7.81 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.80 0.00 1.97 1.84 0.00 3.05 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 51 N 8.32 4.29 0.00 2.88 2.89 0.00 0.00 6.91 7.49 0.00 0.00 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 A 8.13 3.98 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 53 K 7.95 3.82 0.00 1.89 1.89 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 54 R 7.66 3.61 0.00 1.99 1.51 0.00 2.97 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 55 I 8.10 3.78 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.89 0.95 0.00 0.00 56 A 8.16 3.96 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 57 N 8.33 4.25 0.00 2.57 2.77 0.00 0.00 6.96 7.41 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 58 A 7.93 4.50 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 0.00 0.00 0.00 0.00 0.00 59 K 7.93 3.93 0.00 1.80 2.00 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 60 S 7.93 4.37 0.00 4.09 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 61 S 8.31 4.49 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 4.02 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 0.00 0.00 0.00 63 N 7.88 5.05 0.00 2.81 2.71 0.00 0.00 6.49 8.79 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 64 F 8.81 4.59 0.00 3.06 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 65 V 7.33 4.41 1.93 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 0.85 0.00 0.00 0.91 0.00 0.00 66 F 9.27 4.16 0.00 3.26 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 67 D 8.01 4.69 0.00 2.75 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 68 V 7.20 4.36 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 0.60 0.00 0.00 0.84 0.00 0.00 69 K 8.41 3.92 0.00 1.63 1.61 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.24 7.81