NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2330 8.2549 119.6941 56.1507 30.4345 173.9344 7 R 3.8320 7.9197 117.4725 58.3573 30.6707 174.7226 8 K 4.7648 8.1927 118.1353 54.8821 37.6162 176.1470 9 F 4.4840 9.3558 122.9717 57.2987 39.6534 176.1979 10 C 4.1565 9.1688 123.8311 63.1991 28.3485 175.9767 11 R 4.1971 8.2329 117.5205 59.4331 29.9269 177.6355 12 F 4.3781 8.6264 118.1041 61.7946 39.7378 176.1904 13 T 4.0579 7.6566 115.9446 61.7814 67.4770 173.8788 14 A 4.2010 6.8754 120.8497 51.8447 21.9999 175.8965 15 E 4.3538 8.5589 121.1530 53.9777 31.2948 175.9143 16 G 3.7746 8.5297 110.3454 46.1203 0.0000 173.1579 17 V 4.4684 8.0320 123.7365 60.8644 35.1678 174.4588 18 Q 4.2848 8.5250 124.7424 55.3271 29.0349 177.0573 19 E 4.1713 8.7467 122.9164 58.5233 29.8309 178.1219 20 I 3.7862 7.6072 118.4443 63.3023 38.3590 175.7007 21 D 4.0920 7.8026 120.5142 54.6222 41.1343 175.1597 22 Y 4.8362 7.6430 122.7936 56.6187 38.5305 175.9852 23 K 4.5444 8.0435 119.9215 57.6139 34.6100 177.2752 24 D 4.6582 9.3455 120.5427 53.4187 38.1176 176.0806 25 I 3.6914 7.8941 123.4960 63.1460 38.1681 176.3541 26 A 3.9415 8.0343 120.8910 55.4266 18.2838 178.5957 27 T 4.0907 7.6201 109.8004 64.1722 67.7843 176.8765 28 L 4.2361 7.7037 121.3298 57.6985 41.6496 179.3166 29 K 4.0002 8.3372 119.5727 59.4646 31.8098 178.5554 30 N 4.2975 7.5388 115.9859 55.9229 38.5726 175.1849 31 Y 4.6742 7.5026 116.8619 57.8206 37.9621 174.3101 32 I 4.6687 7.4665 121.6476 59.6144 39.0763 176.5305 33 T 4.2696 7.9662 122.2164 62.9023 69.5394 174.6409 34 E 4.0344 8.8323 120.6111 59.3163 29.1251 176.8879 35 S 4.7994 7.5110 112.6233 56.0172 65.8019 174.7766 36 G 4.3828 8.4167 108.1246 46.6939 0.0000 174.3909 37 K 4.1559 7.5913 119.5835 56.4042 32.6846 175.9700 38 I 4.3063 8.0311 122.6463 60.7030 38.0778 176.3038 39 V 3.7985 8.2539 120.7924 60.7807 32.1287 174.6075 40 P 4.4588 0.0000 0.0000 62.6945 32.2116 177.4441 41 S 4.1773 8.7081 115.5080 61.6836 62.3879 177.1103 42 R 3.9429 8.0024 119.8487 58.2267 30.0674 177.5566 43 I 3.9214 7.4110 117.2282 62.8184 39.2584 177.2113 44 T 4.1389 8.0376 114.1950 63.5006 66.9561 175.7356 45 G 4.3929 8.1620 108.6282 45.6434 0.0000 173.5125 46 T 4.0548 7.6442 108.9274 61.5148 69.8769 173.0689 47 R 4.7095 7.8990 117.4998 54.6602 31.7312 176.1755 48 A 4.0890 8.5226 117.7348 55.6640 17.9527 180.0630 49 K 4.0390 8.1252 116.6838 59.3920 32.2626 178.8668 50 Y 4.1820 8.1626 116.4513 60.4971 38.1682 177.4473 51 Q 3.9706 8.6119 121.2553 59.0498 28.6258 178.5427 52 R 3.8944 7.7197 116.4902 59.5333 29.3781 178.9869 53 Q 3.9672 7.5888 119.2047 58.2888 28.6604 178.2242 54 L 3.8392 8.3408 121.6533 58.0088 42.0139 178.5579 55 A 3.9286 8.1142 120.8074 55.5146 18.3111 179.5090 56 R 3.7818 7.7302 115.5965 59.4802 30.1415 178.5195 57 A 4.0797 8.1534 120.6383 55.4220 18.3195 179.7546 58 I 3.7513 8.1514 118.6693 64.2448 37.1126 178.4583 59 K 3.8039 8.1233 119.5798 59.7964 31.8815 179.3810 60 R 3.9495 8.0999 117.5961 59.3259 30.1810 178.9146 61 A 4.1659 8.1056 120.4770 55.5366 18.2762 179.9707 62 R 4.5227 8.1866 118.1372 58.8792 29.7888 178.5737 63 Y 4.9903 7.7874 120.0269 60.1190 38.9004 177.3446 64 L 3.9813 7.9513 117.3158 54.8030 41.7115 177.2953 65 S 4.0857 7.8392 112.6301 59.0154 61.4548 170.7738 66 L 4.2818 7.8947 119.6696 55.7724 42.1670 177.1497 67 L 4.6881 7.5193 118.7686 51.8622 43.4712 174.3074 68 P 4.7603 0.0000 0.0000 63.0147 32.1406 176.1862 69 Y 4.2680 8.9690 118.5914 60.5690 38.5052 176.0336 70 T 4.9724 7.7056 114.3853 62.4674 72.6111 172.4824 71 D 5.0844 8.4871 125.1361 52.0342 44.2354 175.9317 72 R 4.1349 8.1903 117.4022 55.9627 30.4169 176.2063 73 H 4.5498 8.3018 117.2779 55.1756 29.7644 175.3958 74 Q 4.1391 8.4884 120.3744 56.6165 28.9101 175.5269 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 6 R 8.25 4.23 0.00 1.47 1.78 0.00 3.05 0.00 0.00 3.10 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 7 R 7.92 3.83 0.00 1.84 1.88 0.00 3.19 0.00 0.00 3.18 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 8 K 8.19 4.76 0.00 1.75 1.82 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 F 9.36 4.48 0.00 3.18 3.09 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 10 C 9.17 4.16 0.00 3.36 2.94 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 11 R 8.23 4.20 0.00 2.00 2.08 0.00 3.65 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.77 0.00 12 F 8.63 4.38 0.00 2.89 3.36 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 13 T 7.66 4.06 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 1.17 0.00 0.00 14 A 6.88 4.20 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 15 E 8.56 4.35 0.00 1.90 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 2.23 2.27 0.00 16 G 8.53 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.03 4.47 2.16 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 0.91 0.00 0.00 1.01 0.00 0.00 18 Q 8.52 4.28 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 19 E 8.75 4.17 0.00 1.87 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 2.37 2.39 0.00 20 I 7.61 3.79 1.83 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 1.28 0.58 0.86 0.00 0.00 21 D 7.80 4.09 0.00 2.63 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 22 Y 7.64 4.84 0.00 3.03 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 23 K 8.04 4.54 0.00 1.69 1.89 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.41 7.81 24 D 9.35 4.66 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.69 1.90 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 1.58 1.20 0.92 0.00 0.00 26 A 8.03 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.09 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 1.43 0.00 0.00 28 L 7.70 4.24 0.00 1.74 1.79 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.34 4.00 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 30 N 7.54 4.30 0.00 2.31 2.55 0.00 0.00 7.02 8.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.50 4.67 0.00 3.21 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 32 I 7.47 4.67 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 0.98 0.00 0.00 33 T 7.97 4.27 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 34 E 8.83 4.03 0.00 1.99 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 2.35 2.43 0.00 35 S 7.51 4.80 0.00 3.90 3.75 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 36 G 8.42 4.38 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 0.00 37 K 7.59 4.16 0.00 1.89 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.44 7.81 38 I 8.03 4.31 1.88 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 1.35 0.48 0.92 0.00 0.00 39 V 8.25 3.80 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 0.75 0.00 0.00 1.14 0.00 0.00 40 P 0.00 4.46 0.00 2.06 2.01 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 S 8.71 4.18 0.00 3.88 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 42 R 8.00 3.94 0.00 1.72 1.90 0.00 3.16 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 I 7.41 3.92 1.79 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 1.52 1.32 0.95 0.00 0.00 44 T 8.04 4.14 4.38 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 1.32 0.00 0.00 45 G 8.16 4.39 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 0.00 46 T 7.64 4.05 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 1.16 0.00 0.00 47 R 7.90 4.71 0.00 2.02 2.08 0.00 3.04 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 48 A 8.52 4.09 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 49 K 8.13 4.04 0.00 1.99 1.87 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.54 7.81 50 Y 8.16 4.18 0.00 2.97 2.98 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 51 Q 8.61 3.97 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 52 R 7.72 3.89 0.00 2.09 2.23 0.00 2.81 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 53 Q 7.59 3.97 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 54 L 8.34 3.84 0.00 1.65 1.74 0.68 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.11 3.93 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 56 R 7.73 3.78 0.00 1.90 2.08 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 57 A 8.15 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.75 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 0.87 0.00 0.00 59 K 8.12 3.80 0.00 1.94 1.84 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.62 7.81 60 R 8.10 3.95 0.00 1.82 1.79 0.00 3.07 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 61 A 8.11 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.19 4.52 0.00 1.39 0.66 0.00 2.57 0.00 0.00 2.88 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 63 Y 7.79 4.99 0.00 2.98 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 64 L 7.95 3.98 0.00 1.82 1.68 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.84 4.09 0.00 3.97 3.95 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 66 L 7.89 4.28 0.00 1.94 1.72 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.52 4.69 0.00 1.60 1.51 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.76 0.00 2.16 2.06 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 69 Y 8.97 4.27 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 70 T 7.71 4.97 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 1.22 0.00 0.00 71 D 8.49 5.08 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 4.13 0.00 1.91 1.92 0.00 3.04 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 73 H 8.30 4.55 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.49 4.14 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00