NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.2866 8.3149 120.1376 55.8559 33.4346 175.1520 22 R 4.0682 8.4187 120.4685 56.0085 30.7387 174.2985 23 N 5.3139 9.1373 116.6328 51.6179 43.0059 173.9712 24 F 4.6881 8.7692 118.6051 55.6190 42.4794 174.6963 25 S 4.9219 8.5871 118.3200 56.4370 65.5872 173.5526 26 V 4.5539 8.1194 120.2630 61.4238 34.1798 174.7725 27 T 4.5199 8.3892 116.2372 60.0973 71.5757 172.9400 28 F 4.7992 7.3935 117.7374 56.7637 40.1780 172.2270 29 Y 4.9245 8.8233 116.7677 56.5241 41.0674 174.7905 30 L 5.1583 8.4559 121.0651 52.5813 45.7112 177.1681 31 S 4.5182 9.1407 116.7326 57.7508 64.8978 175.8250 32 K 3.9128 8.5922 123.0873 60.0633 31.7554 179.5206 33 E 4.0158 8.1151 118.2118 59.3582 29.5781 179.0840 34 E 3.9924 8.1405 117.3145 59.5890 29.7688 178.4995 35 H 4.1317 8.4691 119.2551 59.0639 29.9671 176.7310 36 D 4.3686 8.3106 119.9206 57.2257 40.9729 178.3461 37 V 3.5641 8.0649 118.9292 66.1931 31.5185 178.1214 38 L 3.9822 8.0596 118.5756 57.5514 41.3479 179.5286 39 R 3.7411 8.3840 119.3588 59.2211 30.0257 178.5636 40 R 3.7689 7.9998 118.4356 59.5181 29.9224 178.4832 41 L 3.8512 7.6807 117.1983 57.4622 41.7751 179.2790 42 A 2.9975 7.3327 120.8959 54.9131 17.7699 179.1520 43 D 4.3306 8.2240 116.7904 57.4053 40.9024 178.0050 44 E 4.1480 7.8682 119.0189 58.7722 29.4905 176.9725 45 E 4.6207 7.5761 114.8551 57.6098 34.4762 176.4749 46 V 4.4302 8.2610 114.8381 59.4405 33.2475 175.0708 47 E 4.0469 8.5366 122.4271 58.3648 29.7378 179.0395 48 S 4.2874 7.5886 113.1668 58.0705 61.0881 174.0334 49 V 3.6346 8.1912 128.2851 65.7655 31.4186 177.0530 50 N 4.3405 8.1276 116.2769 55.9558 37.1329 177.0626 51 S 4.0807 8.0570 115.0559 61.0201 62.5260 175.5753 52 F 4.1119 8.6298 123.7948 61.3250 39.1353 177.2876 53 V 3.5374 8.2358 117.9644 65.7784 31.2968 177.6042 54 K 3.8740 8.2493 119.5654 59.8625 31.9020 178.7767 55 R 3.8520 8.2504 118.3757 59.3942 30.0464 178.3839 56 H 3.9022 8.1057 118.1174 59.3239 29.7679 177.3539 57 I 3.6117 7.7746 121.2429 64.3085 36.8983 178.1416 58 L 3.9436 8.0046 119.9439 58.0117 41.3230 179.5712 59 K 3.9913 8.0537 118.0970 59.9331 32.1145 178.6688 60 T 3.9812 7.5388 114.9714 66.6561 68.4859 176.6176 61 I 3.9442 7.7175 120.6071 62.9670 37.6650 176.3658 62 I 4.6075 7.5613 117.5365 60.0451 40.9716 173.3790 63 Y 4.7725 8.5188 124.3515 57.0118 40.2813 175.0387 64 K 4.5652 7.7054 119.1625 55.2966 32.5691 176.0012 65 K 3.9210 8.2842 118.3688 56.3796 32.7697 176.4634 66 G 3.7672 8.6958 114.8129 48.6399 0.0000 173.6831 67 T 4.7646 7.3877 113.5776 62.2048 72.6809 172.9458 68 N 5.0480 8.2260 119.3960 51.8182 37.3620 174.6226 69 Q 4.2130 8.0763 116.2906 57.5352 29.7162 175.8382 70 D 4.9392 8.1747 118.0430 53.1977 44.8901 175.7701 71 S 4.6248 8.3741 111.9386 57.8380 64.5123 174.2521 72 S 4.2726 8.0165 115.4552 58.7809 62.6740 172.9024 73 I 4.6997 7.7330 117.5609 58.7734 40.6662 174.5420 74 N 4.4541 8.6721 118.1373 54.0259 38.7512 174.5369 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 21 K 8.31 4.29 0.00 1.79 1.86 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 22 R 8.42 4.07 0.00 2.01 1.90 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 23 N 9.14 5.31 0.00 2.66 2.71 0.00 0.00 6.68 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.77 4.69 0.00 2.94 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 25 S 8.59 4.92 0.00 3.94 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 26 V 8.12 4.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 27 T 8.39 4.52 4.13 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 1.16 0.00 0.00 28 F 7.39 4.80 0.00 3.18 3.08 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 0.00 0.00 0.00 29 Y 8.82 4.92 0.00 3.05 2.83 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 30 L 8.46 5.16 0.00 1.78 1.68 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.14 4.52 0.00 3.89 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 32 K 8.59 3.91 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 33 E 8.12 4.02 0.00 2.00 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 2.41 2.32 0.00 34 E 8.14 3.99 0.00 2.24 2.25 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 2.67 2.45 0.00 35 H 8.47 4.13 0.00 3.37 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.31 4.37 0.00 2.94 2.81 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 37 V 8.06 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 38 L 8.06 3.98 0.00 1.86 1.79 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.38 3.74 0.00 1.89 2.08 0.00 3.24 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 40 R 8.00 3.77 0.00 1.88 2.00 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 41 L 7.68 3.85 0.00 1.57 1.52 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.33 3.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.22 4.33 0.00 2.75 2.76 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 44 E 7.87 4.15 0.00 2.08 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 2.33 2.35 0.00 45 E 7.58 4.62 0.00 2.20 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 2.27 2.31 0.00 46 V 8.26 4.43 2.16 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 0.91 0.00 0.00 1.13 0.00 0.00 47 E 8.54 4.05 0.00 2.04 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 0.00 2.27 2.30 0.00 48 S 7.59 4.29 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.19 3.63 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 0.96 0.00 0.00 0.90 0.00 0.00 50 N 8.13 4.34 0.00 2.92 3.03 0.00 0.00 5.84 7.63 0.00 0.00 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 S 8.06 4.08 0.00 3.95 4.10 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 0.00 0.00 0.00 0.00 52 F 8.63 4.11 0.00 3.17 3.25 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 0.00 53 V 8.24 3.54 2.29 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 1.10 0.00 0.00 1.13 0.00 0.00 54 K 8.25 3.87 0.00 1.97 2.01 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 55 R 8.25 3.85 0.00 1.91 1.89 0.00 3.31 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 1.64 1.73 0.00 56 H 8.11 3.90 0.00 2.87 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.77 3.61 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.91 0.00 0.00 58 L 8.00 3.94 0.00 1.87 1.72 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.05 3.99 0.00 1.82 1.84 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.71 7.81 60 T 7.54 3.98 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 1.14 0.00 0.00 61 I 7.72 3.94 1.92 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 1.48 0.71 0.90 0.00 0.00 62 I 7.56 4.61 1.88 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 1.19 0.65 0.95 0.00 0.00 63 Y 8.52 4.77 0.00 2.83 2.88 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 64 K 7.71 4.57 0.00 1.73 1.70 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.40 7.81 65 K 8.28 3.92 0.00 1.72 1.67 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 66 G 8.70 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.39 4.76 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 1.22 0.00 0.00 68 N 8.23 5.05 0.00 2.74 2.78 0.00 0.00 6.07 7.36 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 69 Q 8.08 4.21 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 70 D 8.17 4.94 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.37 4.62 0.00 3.91 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 72 S 8.02 4.27 0.00 3.85 3.81 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 73 I 7.73 4.70 1.87 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 1.30 0.67 0.91 0.00 0.00 74 N 8.67 4.45 0.00 2.70 2.74 0.00 0.00 6.84 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