NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4499 8.3349 116.7981 57.8633 65.4006 173.6423 3 L 4.3652 7.5003 120.4720 52.4809 43.1239 176.0234 4 A 4.0326 9.0257 127.3201 55.1185 19.5728 179.2494 5 A 3.9332 8.1493 117.4831 54.6728 18.5348 177.6180 6 D 4.7434 7.8891 114.7810 54.1822 40.9771 176.4693 7 T 4.4522 7.2549 109.7922 59.2852 70.5697 172.9117 8 P 4.3591 0.0000 0.0000 62.1710 31.9975 176.8784 9 T 3.9506 8.1001 111.3437 62.0881 69.2376 173.2757 10 T 4.6936 7.9184 111.4348 60.2986 72.0735 173.3483 11 C 4.9987 8.3101 118.0037 55.2574 43.8711 174.1534 12 C 4.9202 8.2983 118.1910 55.3927 41.9583 174.0662 13 F 4.5161 8.4844 121.4629 58.2580 40.2722 175.3477 14 S 4.0510 7.4801 112.3362 57.1166 65.8298 172.1382 15 Y 5.1444 7.8808 116.9030 55.8343 40.8581 175.8512 16 T 4.0610 8.8388 117.3094 62.8695 67.8697 174.3421 17 S 4.4512 8.7334 121.6142 59.6589 62.9391 173.8124 18 R 4.5766 7.5451 114.4618 53.3748 32.2407 174.6389 19 Q 2.0000 7.8845 119.9598 55.4623 29.1409 175.9838 20 I 3.9266 7.1102 126.8671 59.7885 38.1817 174.0837 21 P 4.2335 0.0000 0.0000 63.0595 31.5546 176.8756 22 Q 3.2763 8.8307 123.7663 58.9792 28.9596 177.3504 23 N 4.4715 7.9914 113.5329 54.9912 39.2778 174.5642 24 F 4.7241 8.4636 119.2825 59.0383 39.9127 174.4413 25 I 4.6394 7.3396 120.6670 60.5438 38.3609 175.0504 26 A 4.4532 8.8537 127.1544 53.7330 20.5284 175.7774 27 D 4.6132 7.6409 112.9621 54.2588 44.7996 173.6940 28 Y 5.1840 7.8681 117.1517 55.5244 41.2643 174.2858 29 F 4.8205 9.0569 118.2500 55.8291 43.6215 173.5676 30 E 5.0236 8.7190 121.0992 54.9870 30.9435 176.2593 31 T 4.2413 8.4104 114.7440 60.8561 70.3846 174.4707 32 S 4.1880 8.5348 117.0591 58.2899 62.8682 175.3569 33 S 4.2523 8.5693 121.1325 60.7868 62.8852 174.9756 34 Q 4.2195 7.8243 118.9055 56.8494 28.8727 175.6667 35 C 4.5008 7.7593 116.1274 56.4533 40.7800 174.0446 36 S 4.1451 8.5675 116.5343 60.6140 62.7819 174.8024 37 K 4.7312 7.5031 117.9569 53.1157 35.5442 174.1052 38 P 4.4499 0.0000 0.0000 63.4414 32.0447 175.8485 39 G 4.1821 8.0956 102.9779 45.5688 0.0000 172.1084 40 V 4.8053 8.3547 124.4732 60.9637 34.1570 174.2478 41 I 4.7959 8.7417 128.8727 59.9236 39.0932 174.6277 42 F 5.3111 9.0417 126.3536 56.1092 41.4240 174.5845 43 L 5.1877 8.9487 125.5594 53.6600 43.9577 176.3399 44 T 4.4192 8.7116 117.4828 60.5723 70.2802 176.0004 45 K 3.8983 7.6307 120.8055 58.9470 32.0121 178.5578 46 R 4.2369 7.3883 115.9711 56.0384 30.0360 176.8527 47 S 4.0339 7.9760 112.8338 58.8446 60.8850 169.5530 48 R 4.3310 7.6299 121.9203 56.0673 31.1652 175.0489 49 Q 5.2811 8.7424 125.0877 54.3361 30.7092 175.2368 50 V 4.6201 8.7810 123.4842 59.8159 34.6718 174.4388 51 C 5.0635 9.0529 122.2935 57.0741 42.5416 172.4502 52 A 5.1823 9.5476 124.4371 50.1410 23.1072 174.4557 53 D 3.8763 8.0654 119.6160 51.9313 41.7014 175.4956 54 P 4.1251 0.0000 0.0000 64.4319 31.5233 177.4456 55 S 4.1905 8.2664 113.9439 60.0989 63.5458 174.5497 56 E 4.1023 7.8785 122.3613 55.6567 30.1459 177.2552 57 E 3.8885 8.9428 123.9454 59.2252 29.6852 179.2703 58 W 4.1226 8.1202 116.2326 59.3095 28.0147 178.4227 59 V 2.8788 6.4850 119.0123 65.6682 30.8544 178.0515 60 Q 3.8316 7.6857 117.2782 58.6525 28.5092 178.4233 61 K 3.9284 8.1169 120.5959 59.8882 32.4038 178.3892 62 Y 4.1615 8.3854 117.0191 61.0227 37.5541 178.6302 63 V 3.0723 7.8073 118.0965 66.0070 31.7925 177.4619 64 S 4.2080 8.3075 113.0677 61.7813 61.9871 175.9669 65 D 4.4233 8.2278 119.8889 56.3575 40.7746 177.3227 66 L 4.3106 7.6946 119.5084 55.0120 42.4851 176.7143 67 E 4.1353 7.5448 123.4762 57.0592 30.1337 174.7594 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 2 S 8.33 4.45 0.00 3.90 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 3 L 7.50 4.37 0.00 1.94 1.59 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 A 9.03 4.03 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.15 3.93 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 6 D 7.89 4.74 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 7 T 7.25 4.45 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 1.19 0.00 0.00 8 P 0.00 4.36 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 9 T 8.10 3.95 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 1.11 0.00 0.00 10 T 7.92 4.69 4.20 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 0.00 0.00 0.00 1.23 0.00 0.00 11 C 8.31 5.00 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 12 C 8.30 4.92 0.00 2.91 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 13 F 8.48 4.52 0.00 2.99 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 14 S 7.48 4.05 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 5.14 0.00 3.05 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 16 T 8.84 4.06 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 1.69 0.00 0.00 17 S 8.73 4.45 0.00 3.93 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 18 R 7.55 4.58 0.00 1.76 1.78 0.00 3.01 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 19 Q 7.88 2.00 0.00 1.08 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 20 I 7.11 3.93 2.04 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 1.15 0.00 0.00 21 P 0.00 4.23 0.00 2.17 2.14 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 22 Q 8.83 3.28 0.00 1.46 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.00 0.00 0.00 0.00 0.00 0.00 2.03 1.30 0.00 23 N 7.99 4.47 0.00 2.69 2.83 0.00 0.00 6.86 7.02 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 24 F 8.46 4.72 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 4.64 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.93 0.00 0.00 26 A 8.85 4.45 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.64 4.61 0.00 2.66 2.19 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 28 Y 7.87 5.18 0.00 2.78 2.89 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 0.00 0.00 0.00 29 F 9.06 4.82 0.00 2.90 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 30 E 8.72 5.02 0.00 1.87 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 2.34 2.47 0.00 31 T 8.41 4.24 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 1.26 0.00 0.00 32 S 8.53 4.19 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.25 0.00 4.01 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 34 Q 7.82 4.22 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 35 C 7.76 4.50 0.00 3.09 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 36 S 8.57 4.15 0.00 4.05 4.07 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 0.00 0.00 0.00 37 K 7.50 4.73 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 P 0.00 4.45 0.00 2.15 2.05 0.00 3.88 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 2.05 1.98 0.00 39 G 8.10 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 0.00 0.00 0.00 0.00 40 V 8.35 4.81 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 0.14 0.00 0.00 0.73 0.00 0.00 41 I 8.74 4.80 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 1.10 0.00 0.00 42 F 9.04 5.31 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.95 5.19 0.00 1.78 1.62 1.03 0.79 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 44 T 8.71 4.42 3.02 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 1.23 0.00 0.00 45 K 7.63 3.90 0.00 1.57 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.47 7.81 46 R 7.39 4.24 0.00 1.80 1.99 0.00 3.54 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 1.66 1.88 0.00 47 S 7.98 4.03 0.00 4.07 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 48 R 7.63 4.33 0.00 1.91 1.84 0.00 3.16 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 49 Q 8.74 5.28 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 50 V 8.78 4.62 2.26 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 1.11 0.00 0.00 1.15 0.00 0.00 51 C 9.05 5.06 0.00 3.09 3.27 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 52 A 9.55 5.18 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 3.88 0.00 1.58 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 0.00 0.00 0.00 0.00 54 P 0.00 4.13 0.00 2.07 1.97 0.00 3.42 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 55 S 8.27 4.19 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.10 0.00 1.76 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 2.33 2.12 0.00 57 E 8.94 3.89 0.00 2.04 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 2.40 2.37 0.00 58 W 8.12 4.12 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 59 V 6.49 2.88 1.66 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 0.68 0.00 0.00 -0.64 0.00 0.00 60 Q 7.69 3.83 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 61 K 8.12 3.93 0.00 2.05 2.16 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.81 7.81 62 Y 8.39 4.16 0.00 3.24 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 63 V 7.81 3.07 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 0.16 0.00 0.00 0.45 0.00 0.00 64 S 8.31 4.21 0.00 3.94 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 65 D 8.23 4.42 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.69 4.31 0.00 1.91 1.83 1.15 0.75 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 67 E 7.54 4.14 0.00 2.28 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 2.39 0.00