NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.1157 8.3449 118.2719 58.8042 29.9933 174.3065 3 L 3.8317 5.8801 121.5917 53.7415 43.8692 173.6728 4 A 3.7904 8.8482 128.0397 52.8163 16.9873 177.1786 5 V 3.9258 7.8081 118.8248 63.5742 32.3125 173.7979 6 P 4.9436 0.0000 0.0000 63.2131 32.0217 175.4934 7 G 3.4387 9.1936 108.5688 44.0075 0.0000 171.3819 8 K 3.4948 7.5014 122.3334 54.1117 33.7973 175.7742 9 V 4.0651 8.4619 128.7984 62.8738 31.7998 176.0873 10 I 4.2353 8.7545 121.5733 61.1882 39.8661 175.4937 11 E 4.7197 7.8382 122.1034 54.3587 33.4645 174.0642 12 V 4.7345 8.3055 124.3397 61.2637 34.6135 174.5343 13 N 4.7618 9.2749 126.4234 52.1727 40.7021 174.7553 14 G 3.8347 8.1477 118.3619 46.3786 0.0000 170.8022 15 P 4.6183 0.0000 0.0000 62.3394 31.6425 174.7093 16 V 4.7738 7.9009 119.7436 61.3273 34.1092 174.2763 17 A 5.1410 9.3063 129.1341 50.1717 22.6748 174.8592 18 V 4.6368 8.3135 119.6496 61.3500 33.6062 174.9855 19 V 4.5920 8.6631 127.2528 61.0043 34.9586 173.3503 20 D 4.9558 8.6167 127.7833 52.8801 43.0491 174.9836 21 F 4.7191 9.3513 126.4671 55.5898 40.3064 175.8622 22 G 4.0907 9.9613 114.8288 46.8266 0.0000 172.1830 23 G 4.0164 9.0537 109.4753 44.7155 0.0000 174.8003 24 V 4.2004 7.9020 120.5898 61.4630 32.7517 175.1089 25 K 5.0013 8.7900 130.2573 56.2396 33.3939 177.0921 26 R 4.8447 9.0000 123.7549 54.9350 34.0970 172.4125 27 E 4.7155 8.7317 120.2638 56.2732 30.6984 176.4921 28 V 4.5233 8.8414 123.4281 61.1145 35.4236 174.5162 29 R 4.3925 8.7888 127.4555 55.8271 31.1192 177.0520 30 L 4.7857 9.0606 122.5985 54.5936 42.1701 178.0662 31 D 4.4412 8.3667 120.8135 57.5349 40.7976 177.8890 32 L 4.2746 7.9898 116.8472 56.8090 42.7798 176.9512 33 M 4.8791 8.2001 118.6097 53.2890 32.4646 174.1501 34 P 4.5333 0.0000 0.0000 64.6580 32.3403 177.7287 35 D 4.6206 7.9119 117.5473 54.8631 41.3058 176.6961 36 T 4.1509 7.5749 117.1201 63.7975 69.1858 173.4751 37 K 4.6991 9.1904 123.7007 53.8285 35.7806 173.9510 38 P 4.5261 0.0000 0.0000 64.3904 31.5882 176.5769 39 G 4.0362 8.7623 111.2668 45.4962 0.0000 173.9590 40 D 4.7248 8.0917 119.4110 54.2289 42.2225 175.4857 41 W 5.1205 9.1861 120.6017 55.3413 32.0382 175.6872 42 V 5.1360 8.8777 115.2435 59.9020 36.0077 174.3863 43 I 4.8589 8.4772 124.0500 59.8981 39.3082 174.8406 44 V 5.0279 8.6276 125.6663 61.4574 34.2738 174.3181 45 H 4.9071 9.1382 124.2968 55.4328 31.4168 174.0418 46 T 3.3990 9.8490 122.6353 64.7326 66.0822 173.2625 47 G 3.9224 8.3984 107.5160 45.3047 0.0000 172.9267 48 F 5.0679 8.1733 118.6597 54.9195 41.5194 174.3951 49 A 4.7137 8.8658 128.0904 52.4551 18.1555 177.1920 50 I 4.4727 9.0523 115.9731 60.8157 39.3346 175.4804 51 E 4.7253 7.9649 123.6750 54.9438 33.1383 173.0913 52 K 5.1455 8.7199 127.9631 54.9742 34.0320 174.9246 53 L 4.9740 9.4777 126.8899 54.6151 44.9265 174.4950 54 D 5.2198 8.4165 118.8555 51.7466 41.9634 177.0091 55 E 3.0023 8.8582 118.4871 59.0021 29.4908 178.3791 56 K 3.7453 7.8996 119.0488 59.5558 32.2649 178.5405 57 K 4.0886 8.3205 119.5127 59.1835 32.0636 178.6573 58 A 3.8358 7.6721 121.2900 55.1594 18.1304 179.1634 59 M 3.8094 7.8821 116.8925 58.8908 32.2065 178.3665 60 E 4.1320 7.9899 118.3315 59.3670 29.5998 179.4028 61 I 3.6460 7.8682 119.8982 64.3649 37.1163 178.4688 62 L 4.2436 8.1046 119.8106 57.9457 41.4704 179.3190 63 E 3.9561 8.6683 118.7256 59.4048 29.3489 179.3656 64 A 3.9190 8.2122 120.7926 54.8135 18.3459 179.5827 65 W 4.2538 8.1872 117.2233 60.0945 29.2430 178.3684 66 A 4.0686 8.4359 120.7762 55.3495 17.6529 179.3998 67 E 3.8748 8.2933 117.5524 59.4164 29.7943 179.1426 68 V 3.5865 8.1860 118.7344 66.0931 31.3562 177.8360 69 E 4.1207 8.5243 119.8744 59.9519 29.3905 179.7776 70 K 4.1489 8.0237 122.4512 59.8623 31.8691 180.6667 71 A 4.3287 8.1597 121.4115 54.6514 18.3285 177.9033 72 M 4.2874 8.0572 121.0625 55.6637 32.3765 176.0494 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 C 8.34 4.12 0.00 1.23 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 5.88 3.83 0.00 1.65 1.57 1.10 0.40 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 4 A 8.85 3.79 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 V 7.81 3.93 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 1.01 0.00 0.00 0.66 0.00 0.00 6 P 0.00 4.94 0.00 2.50 2.27 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 7 G 9.19 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.50 3.49 0.00 0.79 0.84 0.00 1.33 0.00 0.00 1.26 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.78 0.27 7.81 9 V 8.46 4.07 2.13 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 0.89 0.00 0.00 0.83 0.00 0.00 10 I 8.75 4.24 1.77 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 1.06 0.77 0.74 0.00 0.00 11 E 7.84 4.72 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 12 V 8.31 4.73 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 0.82 0.00 0.00 0.95 0.00 0.00 13 N 9.27 4.76 0.00 2.70 2.61 0.00 0.00 6.69 7.95 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 14 G 8.15 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 15 P 0.00 4.62 0.00 2.24 2.29 0.00 3.74 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 2.04 1.95 0.00 16 V 7.90 4.77 2.05 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 0.81 0.00 0.00 0.89 0.00 0.00 17 A 9.31 5.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.64 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 0.81 0.00 0.00 0.90 0.00 0.00 19 V 8.66 4.59 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 0.29 0.00 0.00 0.85 0.00 0.00 20 D 8.62 4.96 0.00 2.56 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 0.00 0.00 0.00 0.00 21 F 9.35 4.72 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.96 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 23 G 9.05 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 24 V 7.90 4.20 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 1.06 0.00 0.00 0.95 0.00 0.00 25 K 8.79 5.00 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 R 9.00 4.84 0.00 1.43 1.72 0.00 3.26 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 27 E 8.73 4.72 0.00 1.82 1.86 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 2.28 2.29 0.00 28 V 8.84 4.52 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 1.01 0.00 0.00 1.06 0.00 0.00 29 R 8.79 4.39 0.00 0.67 1.66 0.00 3.34 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.00 30 L 9.06 4.79 0.00 1.66 1.82 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.37 4.44 0.00 2.84 2.85 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 0.00 0.00 0.00 0.00 32 L 7.99 4.27 0.00 1.85 1.76 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.20 4.88 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 34 P 0.00 4.53 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 35 D 7.91 4.62 0.00 2.70 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 36 T 7.57 4.15 4.24 0.00 0.00 0.00 0.00 0.00 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 37 K 9.19 4.70 0.00 1.83 1.85 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.36 7.81 38 P 0.00 4.53 0.00 2.02 2.15 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 39 G 8.76 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 40 D 8.09 4.72 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 41 W 9.19 5.12 0.00 3.39 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 42 V 8.88 5.14 2.15 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 0.83 0.00 0.00 0.97 0.00 0.00 43 I 8.48 4.86 1.95 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 1.28 0.73 1.06 0.00 0.00 44 V 8.63 5.03 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 0.93 0.00 0.00 1.19 0.00 0.00 45 H 9.14 4.91 0.00 3.29 3.21 0.00 6.01 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 9.85 3.40 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 G 8.40 3.92 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 0.00 0.00 0.00 48 F 8.17 5.07 0.00 3.27 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.71 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 50 I 9.05 4.47 1.86 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 0.97 0.84 1.02 0.00 0.00 51 E 7.96 4.73 0.00 2.05 1.82 0.00 0.00 0.00 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 2.34 0.00 52 K 8.72 5.15 0.00 1.83 1.71 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 53 L 9.48 4.97 0.00 1.69 1.75 0.98 0.95 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 54 D 8.42 5.22 0.00 2.85 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 55 E 8.86 3.00 0.00 2.14 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 0.00 2.12 2.19 0.00 56 K 7.90 3.75 0.00 1.81 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 K 8.32 4.09 0.00 1.92 1.74 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 58 A 7.67 3.84 0.64 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 0.00 0.00 59 M 7.88 3.81 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 60 E 7.99 4.13 0.00 2.18 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 0.00 2.28 2.43 0.00 61 I 7.87 3.65 2.08 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 1.51 0.87 1.13 0.00 0.00 62 L 8.10 4.24 0.00 1.82 1.77 1.01 0.96 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 63 E 8.67 3.96 0.00 2.10 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 2.33 2.56 0.00 64 A 8.21 3.92 1.15 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 0.00 0.00 65 W 8.19 4.25 0.00 3.63 3.21 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 66 A 8.44 4.07 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 67 E 8.29 3.87 0.00 2.15 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 2.28 2.34 0.00 68 V 8.19 3.59 2.17 0.00 0.00 0.00 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 0.83 0.00 0.00 69 E 8.52 4.12 0.00 2.29 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 2.40 2.44 0.00 70 K 8.02 4.15 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.33 7.81 71 A 8.16 4.33 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 72 M 8.06 4.29 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00