NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3160 8.3349 116.7991 59.2732 63.8727 172.3947 3 H 3.7393 8.5988 126.7311 54.5408 28.2964 171.8844 4 M 4.1433 8.7873 129.0524 55.9973 35.7607 173.4594 5 P 4.2195 0.0000 0.0000 62.4898 32.3134 176.5680 6 K 4.6778 8.3461 132.0104 56.5041 31.5505 179.0222 7 R 4.6352 8.6774 122.5689 57.0971 31.6348 175.3721 8 A 3.2676 8.3079 117.2700 52.0594 17.3699 178.0724 9 T 4.5930 7.5511 114.2292 61.4848 71.3953 174.7022 10 T 4.2869 8.2160 115.3080 61.2961 70.8275 175.1440 11 A 4.1702 8.8098 124.8340 56.0057 18.3813 180.1230 12 F 2.8999 8.0156 118.0640 61.0942 39.3822 176.8543 13 M 3.8573 7.7216 118.4636 57.7510 31.5950 178.0860 14 L 4.0245 8.6974 120.3659 58.8813 40.2964 179.2568 15 W 4.9185 8.1445 128.7236 60.1977 30.7731 177.8541 16 L 2.6352 8.0112 119.6429 56.6546 41.4054 178.5016 17 N 4.4148 8.2097 117.8205 57.1001 38.8372 176.3605 18 D 4.5813 7.7138 116.7798 56.7224 41.6249 177.2487 19 T 4.4078 7.8263 116.7257 63.4060 69.4031 176.5145 20 R 3.5671 8.2625 122.5679 59.2213 29.7840 178.2217 21 E 3.9326 7.6377 116.4723 59.5644 29.5749 179.3256 22 S 4.1389 7.7079 115.1476 60.5643 63.0066 176.5467 23 I 3.7571 7.8451 123.5719 64.1319 37.1505 178.2055 24 K 4.1029 7.8395 119.8508 59.3212 31.7044 179.1759 25 R 3.9562 7.5018 118.1255 59.1464 30.1518 178.4771 26 E 4.2708 7.8556 116.5303 58.0393 31.0325 177.7747 27 N 5.0192 7.6904 115.6346 51.9549 41.5308 173.9450 28 P 5.3353 0.0000 0.0000 60.7422 30.3403 177.0129 29 G 4.1831 7.3388 102.6761 45.7379 0.0000 174.4357 30 I 4.2984 7.6011 118.5867 60.2389 37.9779 175.2039 31 K 4.6626 8.3976 116.9485 55.2351 35.3847 177.7730 32 V 3.3345 8.3353 120.7713 65.0804 31.4661 178.1635 33 T 3.9170 7.8126 109.7345 63.2389 69.6761 176.3145 34 E 3.9859 9.2806 124.4227 59.0217 29.3892 178.6088 35 I 3.6635 7.7055 119.3883 64.3752 36.8694 178.1029 36 A 3.9080 7.6080 121.1000 54.2363 17.8158 179.6201 37 K 4.1164 7.6741 117.0774 58.9053 31.8160 179.0993 38 K 4.8417 8.2186 119.4916 58.1441 32.4399 179.0223 39 G 4.3968 8.2242 108.1770 47.7351 0.0000 176.0864 40 G 3.7063 8.3240 108.5884 47.4635 0.0000 175.3142 41 E 4.0052 8.1233 120.0371 59.6287 29.6058 179.3099 42 M 4.1271 7.7944 118.5927 57.3693 31.5002 178.2475 43 W 3.6085 9.0116 130.5331 59.9598 30.4869 177.7926 44 K 3.4737 7.8299 117.3309 58.8850 32.4411 178.5748 45 E 4.4217 7.2823 115.8284 54.4939 28.6773 175.9077 46 L 4.4325 7.0517 121.2791 53.3365 44.0027 176.4778 47 K 4.2433 8.4131 123.8105 57.0506 32.6626 176.8287 48 D 4.6915 7.4973 118.4064 54.2565 41.7025 177.9630 49 K 3.8513 7.2515 121.1357 58.8428 31.7460 178.5257 50 S 3.8535 7.9310 112.7414 60.2263 62.4944 175.0081 51 K 4.4698 7.9844 118.9421 57.2936 33.4238 177.4118 52 W 4.7005 8.3882 120.3461 58.2336 30.3425 177.6895 53 E 4.2970 9.1794 118.2108 59.5121 28.7458 178.5395 54 D 4.4250 8.2875 118.0139 56.3632 41.3580 177.7552 55 A 3.9478 8.6976 122.0547 55.0174 18.3590 179.4088 56 A 4.6289 8.2838 119.7913 55.1825 18.2421 179.6374 57 A 4.0693 7.8800 119.5254 54.6725 18.4422 179.9197 58 K 3.8359 8.5372 118.1060 60.1563 32.8634 179.2773 59 D 4.5175 8.7731 120.7453 56.6920 40.5476 178.7301 60 K 4.1955 8.0626 120.9125 59.0625 32.4170 178.9275 61 Q 3.6673 7.4762 120.2154 58.6251 28.9429 177.7290 62 R 4.0945 8.5820 119.7032 58.8350 29.2836 177.9139 63 Y 4.0859 8.5152 117.3941 60.8896 38.0059 177.4610 64 H 4.9578 8.2286 115.4801 58.1779 28.6588 176.3806 65 D 4.4813 8.3556 120.2377 55.5129 41.1684 176.7782 66 E 4.4684 7.4135 113.4921 58.6187 32.1108 178.0495 67 M 3.9404 9.3994 117.2963 58.3417 32.1812 178.2411 68 R 4.1800 7.9593 113.5389 59.1035 30.1302 176.7969 69 N 4.8579 7.9546 113.9414 52.9688 38.5233 176.5708 70 Y 4.1388 8.0707 119.4478 59.9761 37.9549 177.9165 71 K 3.4402 7.0068 119.2389 58.2725 31.8383 176.2463 72 P 4.1025 0.0000 0.0000 63.4597 31.3576 175.6625 73 E 4.6030 7.6569 128.5434 55.0984 35.5568 176.4886 74 A 4.6121 7.6727 125.5954 51.6830 19.3461 175.6217 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 4.32 0.00 3.95 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 3 H 8.60 3.74 0.00 3.34 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.79 4.14 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 5 P 0.00 4.22 0.00 1.77 1.77 0.00 3.36 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.94 0.00 6 K 8.35 4.68 0.00 2.03 1.66 0.00 1.98 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 7 R 8.68 4.64 0.00 1.84 1.89 0.00 3.40 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 8 A 8.31 3.27 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.55 4.59 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 1.13 0.00 0.00 10 T 8.22 4.29 4.29 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 0.00 0.00 0.00 1.26 0.00 0.00 11 A 8.81 4.17 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 0.00 0.00 0.00 0.00 0.00 12 F 8.02 2.90 0.00 2.74 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 13 M 7.72 3.86 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 14 L 8.70 4.02 0.00 1.74 2.04 1.26 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.14 4.92 0.00 4.11 3.23 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 0.00 16 L 8.01 2.64 0.00 1.59 1.45 0.53 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.21 4.41 0.00 2.91 2.77 0.00 0.00 6.59 8.18 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 18 D 7.71 4.58 0.00 3.02 3.23 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 0.00 19 T 7.83 4.41 3.18 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 0.28 0.00 0.00 20 R 8.26 3.57 0.00 1.44 1.96 0.00 2.97 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 21 E 7.64 3.93 0.00 2.31 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 0.00 2.29 2.31 0.00 22 S 7.71 4.14 0.00 3.91 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 23 I 7.85 3.76 1.88 0.00 0.00 0.72 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 0.99 0.91 0.00 0.00 24 K 7.84 4.10 0.00 1.84 1.77 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 25 R 7.50 3.96 0.00 1.90 1.96 0.00 3.20 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 26 E 7.86 4.27 0.00 2.17 2.02 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 2.38 2.56 0.00 27 N 7.69 5.02 0.00 2.74 2.69 0.00 0.00 7.07 7.71 0.00 0.00 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 P 0.00 5.34 0.00 2.03 2.04 0.00 3.76 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 29 G 7.34 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 30 I 7.60 4.30 2.00 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 1.34 0.63 0.99 0.00 0.00 31 K 8.40 4.66 0.00 1.89 1.88 0.00 1.54 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.56 7.81 32 V 8.34 3.33 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 0.76 0.00 0.00 0.90 0.00 0.00 33 T 7.81 3.92 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 1.20 0.00 0.00 34 E 9.28 3.99 0.00 1.92 2.24 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 2.31 2.37 0.00 35 I 7.71 3.66 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.97 0.81 0.00 0.00 36 A 7.61 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.67 4.12 0.00 1.83 1.92 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.62 7.81 38 K 8.22 4.84 0.00 2.04 2.20 0.00 1.55 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 39 G 8.22 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 0.00 0.00 0.00 0.00 40 G 8.32 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.01 0.00 2.24 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 0.00 2.43 2.41 0.00 42 M 7.79 4.13 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 3.20 0.00 43 W 9.01 3.61 0.00 1.78 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 44 K 7.83 3.47 0.00 1.75 1.75 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.61 1.58 7.81 45 E 7.28 4.42 0.00 1.89 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 2.15 2.35 0.00 46 L 7.05 4.43 0.00 1.55 1.00 0.88 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.41 4.24 0.00 1.70 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 48 D 7.50 4.69 0.00 2.44 1.83 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 49 K 7.25 3.85 0.00 0.80 1.24 0.00 1.01 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.21 7.81 50 S 7.93 3.85 0.00 3.82 3.85 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 51 K 7.98 4.47 0.00 2.16 2.03 0.00 1.92 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.98 7.81 52 W 8.39 4.70 0.00 3.74 3.69 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 53 E 9.18 4.30 0.00 2.34 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 54 D 8.29 4.43 0.00 2.87 2.75 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 0.00 0.00 0.00 0.00 55 A 8.70 3.95 1.25 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 0.00 0.00 56 A 8.28 4.63 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.88 4.07 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 58 K 8.54 3.84 0.00 1.96 2.23 0.00 1.30 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.47 7.81 59 D 8.77 4.52 0.00 2.70 2.43 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 60 K 8.06 4.20 0.00 1.97 2.26 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 Q 7.48 3.67 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 62 R 8.58 4.09 0.00 1.95 2.15 0.00 3.22 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 63 Y 8.52 4.09 0.00 3.31 3.03 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 0.00 0.00 0.00 0.00 64 H 8.23 4.96 0.00 3.36 3.73 0.00 5.26 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.36 4.48 0.00 3.05 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 66 E 7.41 4.47 0.00 1.92 1.85 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 2.20 2.55 0.00 67 M 9.40 3.94 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 68 R 7.96 4.18 0.00 1.99 2.11 0.00 2.96 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 69 N 7.95 4.86 0.00 2.90 2.89 0.00 0.00 6.92 7.32 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 70 Y 8.07 4.14 0.00 3.09 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 71 K 7.01 3.44 0.00 1.36 1.59 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.98 0.21 7.81 72 P 0.00 4.10 0.00 2.13 2.03 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 73 E 7.66 4.60 0.00 1.81 1.84 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 2.06 2.12 0.00 74 A 7.67 4.61 1.18 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