NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2923 8.3044 120.3262 54.4177 33.1379 176.1430 2 K 4.1552 8.7837 134.0395 52.5351 32.8353 172.5947 3 P 4.5350 0.0000 0.0000 63.2263 32.7948 174.9535 4 V 4.7791 8.2844 120.5260 61.4599 35.2583 174.2072 5 T 4.9699 8.1866 112.4132 58.9630 71.9418 174.6722 6 L 3.4999 8.6851 123.0775 59.5565 39.9024 179.2875 7 Y 4.2523 7.3938 115.9033 60.8437 37.8283 177.6242 8 D 4.3624 8.0560 119.1134 57.2734 41.2688 178.4652 9 V 3.5067 7.4665 118.0414 65.7838 31.4876 177.6055 10 A 3.9879 7.9488 120.4828 55.2627 18.0911 179.1444 11 E 3.9038 8.6992 118.2126 59.5269 29.4534 178.4288 12 Y 3.7900 7.9241 118.1353 60.7620 39.1114 177.6846 13 A 4.2184 8.2553 119.8031 52.8974 18.6402 177.5378 14 G 3.7336 7.8008 104.7101 46.7762 0.0000 173.3083 15 V 4.5363 7.7858 114.1073 59.0183 35.3064 175.8236 16 S 4.6689 8.1706 113.7869 57.8234 64.9896 174.7893 17 Y 4.2019 8.0080 123.2052 59.8970 37.7496 177.8520 18 Q 4.0143 7.2600 119.3439 58.4797 28.6779 178.2632 19 T 3.8373 7.5498 116.1074 66.4706 68.7976 176.2240 20 V 3.7335 7.6945 120.1740 66.1854 31.5723 178.2739 21 S 4.1972 8.3179 113.7123 61.1328 62.7891 176.2338 22 R 3.9430 7.7949 122.9006 59.3007 29.5067 178.5423 23 V 3.6686 7.6786 117.1593 65.8499 31.7479 177.9024 24 V 3.7764 7.8159 116.3134 65.3623 31.5647 176.4430 25 N 4.7432 8.3071 113.9931 52.6227 39.2871 175.4595 26 Q 3.4044 7.9656 113.9393 56.9512 25.6028 172.0553 27 A 4.4842 7.6333 120.1852 51.4405 21.2549 176.0615 28 S 4.5470 8.1100 109.8099 60.7804 64.9754 175.7392 29 H 4.8149 7.6073 119.9479 54.4055 28.5998 174.7963 30 V 4.1105 7.8751 120.0145 61.9153 31.7575 176.7500 31 S 4.5688 8.5288 111.7924 57.0620 64.4859 178.1756 32 A 3.9047 7.8663 121.5465 54.2226 18.2627 179.6584 33 K 3.7380 7.9860 116.2229 60.3427 32.5574 179.1971 34 T 4.0453 7.9953 115.5010 65.9922 68.4261 176.7258 35 R 3.8989 7.4855 120.9112 59.9379 29.8374 178.2614 36 E 4.1303 7.4954 116.2116 58.6615 29.1509 179.0346 37 K 4.2039 8.0971 119.1893 58.9950 32.2753 179.3559 38 V 3.6807 7.7230 118.1790 66.0578 31.3374 177.7016 39 E 4.0336 8.0193 116.9255 59.4034 29.1336 178.9685 40 A 4.1615 7.8626 119.6664 54.8569 18.2767 179.6024 41 A 3.9335 8.1328 119.5170 55.5919 18.5034 179.4883 42 M 4.0054 8.2517 116.5312 58.8494 31.7473 178.6813 43 A 4.1081 7.4969 118.4916 55.0004 18.6706 178.9787 44 E 3.9943 7.6104 117.1597 59.3039 29.7370 178.9925 45 L 3.9920 7.3251 119.3767 55.0197 43.3695 175.3194 46 N 4.1020 8.0142 116.4312 53.5937 35.8510 171.6873 47 Y 4.4173 8.3207 118.9148 58.0138 39.9470 175.7822 48 I 4.2801 8.3918 129.2447 58.6564 38.9168 173.8473 49 P 4.5030 0.0000 0.0000 62.5319 32.5502 175.5336 50 N 4.7212 8.4923 117.9699 52.3894 39.5453 176.9551 51 R 4.0109 8.4871 122.4524 58.7396 30.1249 179.3176 52 V 3.5707 7.7150 117.9983 65.7321 31.6718 177.6348 53 A 3.9767 7.9257 120.0821 55.3693 17.9612 179.2967 54 Q 3.9745 7.9850 117.3888 58.8294 29.0844 178.3480 55 Q 4.1129 7.7345 118.7706 58.2624 28.9818 177.8184 56 L 3.9662 8.0452 120.1359 58.1542 42.2964 178.4989 57 A 4.3659 7.9636 118.8227 53.5974 19.1453 179.3496 58 G 3.7969 7.3749 107.6782 44.8129 0.0000 171.1855 59 K 3.5889 8.0606 123.4124 55.5925 33.0869 174.4914 60 Q 4.2144 8.3669 122.8941 55.6829 29.4424 175.6470 61 S 4.3677 8.3213 114.7349 57.7357 63.3398 173.8801 62 L 4.2254 8.3970 127.6217 55.2453 41.8537 175.9465 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 M 8.30 4.29 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 K 8.78 4.16 0.00 1.77 1.75 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.57 7.81 3 P 0.00 4.53 0.00 2.15 2.07 0.00 3.78 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 2.01 1.99 0.00 4 V 8.28 4.78 2.35 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 0.76 0.00 0.00 1.07 0.00 0.00 5 T 8.19 4.97 4.33 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 1.30 0.00 0.00 6 L 8.69 3.50 0.00 1.78 2.00 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.39 4.25 0.00 3.05 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 8 D 8.06 4.36 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.47 3.51 1.88 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 1.08 0.00 0.00 0.25 0.00 0.00 10 A 7.95 3.99 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 3.90 0.00 2.17 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 2.34 2.35 0.00 12 Y 7.92 3.79 0.00 3.13 3.13 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 0.00 0.00 0.00 13 A 8.26 4.22 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 14 G 7.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 4.54 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 0.85 0.00 0.00 0.99 0.00 0.00 16 S 8.17 4.67 0.00 3.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.20 0.00 2.97 3.07 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 0.00 0.00 0.00 18 Q 7.26 4.01 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.33 1.77 0.00 19 T 7.55 3.84 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 1.20 0.00 0.00 20 V 7.69 3.73 2.26 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 1.05 0.00 0.00 1.07 0.00 0.00 21 S 8.32 4.20 0.00 4.13 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 0.00 22 R 7.79 3.94 0.00 1.81 2.16 0.00 3.25 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 23 V 7.68 3.67 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 0.83 0.00 0.00 1.07 0.00 0.00 24 V 7.82 3.78 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 1.03 0.00 0.00 1.19 0.00 0.00 25 N 8.31 4.74 0.00 2.82 2.79 0.00 0.00 7.22 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 26 Q 7.97 3.40 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 27 A 7.63 4.48 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 28 S 8.11 4.55 0.00 3.54 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.61 4.81 0.00 3.15 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.88 4.11 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 0.81 0.00 0.00 0.92 0.00 0.00 31 S 8.53 4.57 0.00 4.01 3.93 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 0.00 0.00 0.00 32 A 7.87 3.90 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 33 K 7.99 3.74 0.00 1.74 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 34 T 8.00 4.05 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 1.21 0.00 0.00 35 R 7.49 3.90 0.00 1.99 2.13 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 36 E 7.50 4.13 0.00 2.18 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 2.36 2.36 0.00 37 K 8.10 4.20 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 38 V 7.72 3.68 2.25 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 1.19 0.00 0.00 1.07 0.00 0.00 39 E 8.02 4.03 0.00 2.19 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 0.00 2.37 2.58 0.00 40 A 7.86 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.93 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 42 M 8.25 4.01 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.84 0.00 43 A 7.50 4.11 1.37 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 0.00 0.00 0.00 44 E 7.61 3.99 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 45 L 7.33 3.99 0.00 1.53 1.66 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.01 4.10 0.00 2.83 2.90 0.00 0.00 6.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.32 4.42 0.00 2.83 2.86 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 0.00 0.00 0.00 48 I 8.39 4.28 1.86 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 0.83 0.85 0.00 0.00 49 P 0.00 4.50 0.00 1.90 1.56 0.00 3.44 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 0.00 50 N 8.49 4.72 0.00 2.79 2.78 0.00 0.00 6.87 7.68 0.00 0.00 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 R 8.49 4.01 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 52 V 7.71 3.57 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 1.21 0.00 0.00 0.93 0.00 0.00 53 A 7.93 3.98 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 54 Q 7.98 3.97 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 55 Q 7.73 4.11 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 56 L 8.05 3.97 0.00 1.75 1.70 0.92 0.97 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 57 A 7.96 4.37 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 58 G 7.37 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 0.00 0.00 0.00 59 K 8.06 3.59 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.44 7.81 60 Q 8.37 4.21 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 61 S 8.32 4.37 0.00 3.83 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 62 L 8.40 4.23 0.00 1.62 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00