NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0028 8.3393 109.7385 45.4845 0.0000 173.0937 2 S 4.5566 8.2465 116.5829 55.6228 66.0238 171.9422 3 H 4.4876 9.5566 120.6629 56.5925 30.2675 175.9339 4 M 4.9938 8.0284 117.6723 54.3876 32.7959 175.3174 5 E 4.8358 8.0583 117.2556 57.8209 37.4300 176.2972 6 E 4.0907 8.0154 116.4877 56.3368 30.8055 174.9680 7 D 4.1578 8.6388 116.9378 54.6548 38.3480 172.2421 8 P 4.3852 0.0000 0.0000 64.5865 32.0776 178.3635 9 C 4.8331 7.3877 117.3099 58.8763 29.6318 173.6357 10 E 4.5633 8.4216 114.2039 55.9386 26.8743 176.8358 11 C 3.9151 8.3103 117.0624 62.4594 28.6843 175.3288 12 K 4.6051 7.8987 115.0860 55.6545 33.9918 177.8713 13 S 4.3216 8.1402 115.9215 61.0137 62.9365 176.3228 14 I 3.9200 7.6666 122.2030 63.9059 37.1015 177.9816 15 V 3.8754 7.7395 118.0803 64.8193 31.2810 177.9094 16 K 3.9772 7.7102 118.9500 59.5525 32.4640 178.2964 17 F 4.2639 8.2921 120.4674 60.9927 39.2639 177.0875 18 Q 3.8114 8.0376 117.5756 59.3856 28.6788 179.0323 19 T 4.0127 7.6765 116.0524 66.6232 68.4677 176.8242 20 K 3.9283 7.6935 120.2739 59.0800 32.0119 179.2848 21 V 3.5700 7.2669 118.0761 64.9072 31.2318 178.1022 22 E 3.8973 7.6850 118.2981 59.5926 29.5241 178.7599 23 E 4.0024 7.9956 118.3175 58.8785 29.5331 179.1431 24 L 3.8788 7.7559 120.3797 58.1633 42.2270 178.7676 25 I 3.6266 7.6812 118.6017 64.0894 37.9771 177.2247 26 N 4.2706 7.9316 117.7088 57.1492 38.8140 176.9814 27 T 3.9134 7.9799 116.9709 66.4703 68.5357 176.7081 28 L 3.9950 7.7871 121.1401 57.7645 41.7449 178.9858 29 Q 4.1469 8.1448 118.4796 58.0043 29.0280 178.0572 30 Q 3.9457 7.7849 119.0834 59.3534 29.0738 178.3481 31 K 4.1067 8.0666 118.8558 58.5626 31.9483 179.3344 32 L 3.9284 7.6380 120.8813 58.0449 41.7254 178.3090 33 E 4.0505 8.2674 118.3180 58.3284 29.6337 178.0701 34 A 3.9697 7.8275 120.1663 54.4993 19.1383 179.5114 35 V 3.5431 7.7116 116.8013 66.1244 31.7179 178.1818 36 A 4.0506 8.0722 120.4228 54.7862 17.6656 179.6210 37 K 4.4939 7.4673 118.0937 58.5881 32.2212 179.5460 38 R 4.0892 7.7944 118.1722 58.6377 30.1503 178.8427 39 I 3.7200 7.8971 120.0742 64.3610 37.0077 178.2660 40 E 3.9771 8.1738 117.9183 59.3170 29.0662 178.9267 41 A 4.6266 7.5249 122.3025 54.5998 18.3836 179.5505 42 L 4.0604 7.8433 117.0207 57.5630 41.7820 179.1607 43 E 4.0971 8.2414 118.0549 58.6070 29.4221 178.6962 44 N 4.4606 8.0746 116.4474 54.9768 38.4137 176.3178 45 K 4.5235 7.2369 117.9600 56.2223 33.7551 177.2448 46 I 4.2299 7.6085 118.6673 61.5282 38.0385 175.3147 47 I 3.8172 7.5923 124.3553 61.4161 37.7762 175.0810 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 G 8.34 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 0.00 0.00 0.00 2 S 8.25 4.56 0.00 4.02 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 3 H 9.56 4.49 0.00 3.13 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.03 4.99 0.00 1.94 1.98 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 2.49 2.54 0.00 5 E 8.06 4.84 0.00 1.92 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 2.23 2.32 0.00 6 E 8.02 4.09 0.00 1.98 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 2.33 2.33 0.00 7 D 8.64 4.16 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.22 2.10 0.00 3.76 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 1.98 1.98 0.00 9 C 7.39 4.83 0.00 2.93 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 10 E 8.42 4.56 0.00 2.18 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 2.29 2.72 0.00 11 C 8.31 3.92 0.00 2.96 3.04 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 12 K 7.90 4.61 0.00 1.77 1.78 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 13 S 8.14 4.32 0.00 3.89 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 14 I 7.67 3.92 1.99 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 1.48 0.94 0.94 0.00 0.00 15 V 7.74 3.88 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 1.01 0.00 0.00 1.00 0.00 0.00 16 K 7.71 3.98 0.00 1.94 1.97 0.00 2.19 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 17 F 8.29 4.26 0.00 3.20 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 3.81 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.87 0.00 19 T 7.68 4.01 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 K 7.69 3.93 0.00 1.60 1.67 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 21 V 7.27 3.57 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 0.90 0.00 0.00 0.26 0.00 0.00 22 E 7.68 3.90 0.00 2.11 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 2.36 2.50 0.00 23 E 8.00 4.00 0.00 2.00 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 2.29 2.49 0.00 24 L 7.76 3.88 0.00 1.95 1.59 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.68 3.63 2.08 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 1.39 1.17 0.95 0.00 0.00 26 N 7.93 4.27 0.00 2.91 2.89 0.00 0.00 7.22 8.28 0.00 0.00 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 T 7.98 3.91 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 L 7.79 3.99 0.00 1.94 1.70 0.96 0.67 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 29 Q 8.14 4.15 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 30 Q 7.78 3.95 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 31 K 8.07 4.11 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 32 L 7.64 3.93 0.00 2.00 1.78 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.27 4.05 0.00 2.13 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 0.00 2.30 2.32 0.00 34 A 7.83 3.97 1.36 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 0.00 0.00 0.00 35 V 7.71 3.54 2.34 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 1.09 0.00 0.00 0.96 0.00 0.00 36 A 8.07 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.49 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.33 7.81 38 R 7.79 4.09 0.00 1.99 1.96 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 39 I 7.90 3.72 2.06 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 1.68 1.08 0.91 0.00 0.00 40 E 8.17 3.98 0.00 2.23 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 0.00 2.44 2.36 0.00 41 A 7.52 4.63 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.06 0.00 1.91 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.24 4.10 0.00 2.12 1.99 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 2.30 2.44 0.00 44 N 8.07 4.46 0.00 3.09 2.86 0.00 0.00 6.66 6.47 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 45 K 7.24 4.52 0.00 1.70 1.82 0.00 1.57 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 46 I 7.61 4.23 1.95 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 1.56 0.81 0.91 0.00 0.00 47 I 7.59 3.82 2.03 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 1.16 0.74 0.97 0.00 0.00