NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8259 8.1976 109.7370 41.6519 0.0000 173.4992 4 I 3.0527 8.1541 109.7826 60.4199 37.4520 173.6567 5 R 5.3255 8.1432 122.8368 53.2349 30.8801 176.4025 6 E 3.9813 8.4643 122.3200 56.5047 31.0386 176.6176 7 K 4.8762 8.2529 122.7669 54.3076 30.2231 176.4392 8 I 4.0531 7.8018 123.8534 60.9061 39.9635 174.4102 9 K 5.1717 8.4689 125.0229 55.1261 35.1645 175.3483 10 L 5.2142 8.8580 125.1150 53.0956 42.8257 176.3651 11 V 4.4033 8.6592 125.0362 62.3625 33.4507 174.8889 12 S 3.3883 8.2152 121.2151 57.1444 63.3307 174.5370 13 S 4.3177 8.3240 120.3014 58.8796 63.1543 173.6845 14 A 4.5454 7.6720 124.4325 50.7225 20.8577 178.1950 15 G 3.8917 8.4397 105.3502 46.3798 0.0000 173.5719 16 T 4.4776 7.2262 114.3525 60.1997 68.9102 174.6397 17 G 3.8678 8.4694 113.9981 46.1402 0.0000 173.2778 18 H 4.6075 8.3923 121.1526 56.4741 31.3470 173.7727 19 F 5.1035 6.9487 115.4395 57.1066 40.2983 171.5766 20 Y 4.6136 8.8354 115.9139 56.4192 42.3863 174.9209 21 T 5.1969 8.4131 114.4064 61.2113 70.1546 172.7517 22 T 4.7761 8.8891 118.7151 60.9788 72.3402 172.3701 23 T 5.0423 8.4779 109.9656 60.5568 71.8791 172.9748 24 K 4.5098 8.7131 122.5379 55.2792 36.6348 174.5872 25 N 5.4885 8.3846 122.7930 51.1083 36.9160 174.4971 26 K 3.9866 8.3566 124.1279 59.2238 32.8613 178.7874 27 R 3.7632 7.6487 115.9190 58.6004 29.9804 177.2565 28 T 4.6492 8.5707 104.3337 61.0494 70.1521 174.7757 29 K 5.4908 7.3302 119.8469 54.5511 33.5732 173.8745 30 P 4.2828 0.0000 0.0000 65.1883 32.1134 176.7191 31 E 3.7296 8.2883 117.5316 56.0595 28.9214 176.3829 32 K 4.2920 8.6098 123.8315 56.2062 31.9573 176.7758 33 L 4.3361 9.0121 128.2671 55.6779 42.7921 176.1586 34 E 5.6447 8.6930 119.6082 56.6540 31.6449 174.8940 35 L 4.5862 8.6047 119.0058 54.3380 44.0413 171.7618 36 K 4.8538 8.5788 128.3601 56.0104 33.2093 173.8542 37 K 4.5846 8.8896 129.1926 56.0882 33.3311 175.2076 38 F 5.2274 8.9534 127.4167 57.4628 41.3105 174.9479 39 D 4.4123 7.4496 127.2797 50.5896 40.5329 174.3341 40 P 3.6946 0.0000 0.0000 65.2472 31.6394 177.9932 41 V 3.6191 7.6897 115.8356 65.4655 31.2642 176.6159 42 V 3.9545 7.9261 116.6983 61.8983 32.8551 175.2264 43 R 3.6349 8.0519 118.3185 56.4480 27.3815 176.7903 44 Q 4.7648 7.1466 114.9083 55.0596 33.9650 175.0274 45 H 5.4946 9.7860 122.0186 56.1342 29.4277 174.7964 46 V 4.6886 8.4243 122.1292 59.3254 35.6006 174.7935 47 I 4.3380 8.2322 120.6642 61.6734 38.4672 175.2356 48 Y 5.2884 8.6530 121.6655 55.5995 41.2877 174.0532 49 K 4.6373 8.4895 129.4899 56.1640 35.9305 172.9712 50 E 3.7241 8.9603 122.3638 57.2929 27.9319 173.6885 51 A 4.8698 7.7301 124.2781 51.0260 20.6809 176.4078 52 K 4.0752 8.3798 122.2283 56.2844 32.0908 177.3351 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 3 G 8.20 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 I 8.15 3.05 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 1.42 0.66 0.91 0.00 0.00 5 R 8.14 5.33 0.00 1.71 1.90 0.00 3.31 0.00 0.00 3.08 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 6 E 8.46 3.98 0.00 1.98 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 2.41 2.43 0.00 7 K 8.25 4.88 0.00 1.67 1.81 0.00 1.83 0.00 0.00 2.31 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.29 7.81 8 I 7.80 4.05 1.90 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 1.43 1.69 0.96 0.00 0.00 9 K 8.47 5.17 0.00 2.12 1.89 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 10 L 8.86 5.21 0.00 1.89 1.95 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.66 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 12 S 8.22 3.39 0.00 3.86 3.65 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 13 S 8.32 4.32 0.00 3.84 3.89 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 14 A 7.67 4.55 1.19 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 0.00 0.00 15 G 8.44 3.89 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 0.00 0.00 0.00 16 T 7.23 4.48 4.21 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 1.31 0.00 0.00 17 G 8.47 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 0.00 0.00 0.00 18 H 8.39 4.61 0.00 3.22 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.95 5.10 0.00 3.36 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 20 Y 8.84 4.61 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 21 T 8.41 5.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 T 8.89 4.78 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 1.18 0.00 0.00 23 T 8.48 5.04 4.25 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 1.22 0.00 0.00 24 K 8.71 4.51 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.36 1.39 7.81 25 N 8.38 5.49 0.00 2.79 2.67 0.00 0.00 6.49 6.75 0.00 0.00 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 K 8.36 3.99 0.00 1.87 1.95 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.56 7.81 27 R 7.65 3.76 0.00 2.18 1.98 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 28 T 8.57 4.65 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 1.29 0.00 0.00 29 K 7.33 5.49 0.00 1.78 1.74 0.00 1.77 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.51 7.81 30 P 0.00 4.28 0.00 2.04 2.12 0.00 3.73 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 2.03 2.25 0.00 31 E 8.29 3.73 0.00 2.11 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 2.39 2.33 0.00 32 K 8.61 4.29 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.44 7.81 33 L 9.01 4.34 0.00 1.57 1.80 0.94 0.91 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 34 E 8.69 5.64 0.00 2.05 1.92 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 2.21 2.16 0.00 35 L 8.60 4.59 0.00 1.62 1.76 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.58 4.85 0.00 2.02 1.98 0.00 1.63 0.00 0.00 2.45 0.00 0.00 2.87 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.55 1.46 7.81 37 K 8.89 4.58 0.00 1.26 1.23 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.15 1.09 7.81 38 F 8.95 5.23 0.00 2.69 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 0.00 39 D 7.45 4.41 0.00 2.56 2.38 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 40 P 0.00 3.69 0.00 1.91 2.06 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 41 V 7.69 3.62 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 0.72 0.00 0.00 0.91 0.00 0.00 42 V 7.93 3.95 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 0.82 0.00 0.00 0.94 0.00 0.00 43 R 8.05 3.63 0.00 2.00 2.16 0.00 3.40 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 44 Q 7.15 4.76 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 45 H 9.79 5.49 0.00 3.11 3.44 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.42 4.69 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 0.64 0.00 0.00 0.91 0.00 0.00 47 I 8.23 4.34 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.56 0.96 0.00 0.00 48 Y 8.65 5.29 0.00 2.91 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 49 K 8.49 4.64 0.00 1.90 1.71 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 50 E 8.96 3.72 0.00 2.26 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 2.31 2.65 0.00 51 A 7.73 4.87 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 52 K 8.38 4.08 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81