NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2995 8.1727 122.0301 55.5762 33.9747 174.6346 9 S 4.8678 7.4911 114.2990 55.9625 65.8751 173.2538 10 F 5.1015 9.3603 124.0358 53.8657 40.0180 173.7485 11 P 4.4073 0.0000 0.0000 65.0015 31.7827 178.9142 12 E 3.9864 8.2450 116.0717 58.8979 29.7780 179.0779 13 V 3.5035 7.7036 118.8728 64.7523 31.8890 176.1338 14 V 3.9326 7.5091 120.2250 64.3133 31.6079 175.9771 15 G 4.0375 9.1801 116.4752 45.2917 0.0000 174.0247 16 K 4.3296 7.9151 119.4019 55.9141 32.9595 176.9159 17 T 4.3483 8.4775 118.7092 63.4394 70.3580 175.6382 18 V 3.3137 8.1893 123.2447 66.5398 31.3482 178.3154 19 D 4.1550 7.7980 117.5184 57.5356 40.6530 178.7631 20 Q 3.9797 7.9591 117.6924 58.9442 28.7925 178.5931 21 A 4.0814 8.4505 122.2908 54.9784 18.4480 179.6561 22 R 4.1448 8.4702 117.7779 59.7570 30.1424 178.4552 23 E 4.0210 8.4603 119.1915 59.0693 29.6937 177.9633 24 Y 4.1044 8.3121 119.9296 60.8519 38.7868 178.3067 25 F 4.3324 8.3405 118.8633 60.8320 38.8239 177.8628 26 T 4.0464 8.0193 108.3231 64.4507 68.7014 176.5615 27 L 4.0155 7.8765 121.4092 57.2033 41.8148 178.0005 28 H 4.5549 7.6363 112.7696 55.2290 31.7262 173.8907 29 Y 5.1152 8.3153 117.9050 55.2125 38.3205 174.8427 30 P 4.4775 0.0000 0.0000 64.6473 31.7340 177.6727 31 Q 4.1014 7.8752 116.9229 57.7278 29.2790 174.8016 32 Y 4.9157 7.6632 116.7822 56.9861 39.7635 174.8938 33 D 4.6878 9.4854 123.8120 53.1346 42.3517 175.2420 34 V 4.5139 7.9413 125.7996 59.8925 33.8274 174.6562 35 Y 4.7086 8.2917 121.0051 56.1234 41.2919 174.2989 36 F 5.0168 8.9691 122.2527 55.7145 41.1893 175.0785 37 L 4.9514 8.9264 123.1372 51.8885 46.1641 174.3503 38 P 4.0091 0.0000 0.0000 62.2431 32.2465 175.8172 39 E 4.2111 8.4966 122.6505 58.2262 29.7372 177.6838 40 G 3.8886 8.5027 108.9550 45.4423 0.0000 174.1800 41 S 4.1940 7.5034 115.3031 58.0520 63.3538 172.5790 42 P 4.4340 0.0000 0.0000 62.8333 31.7894 176.1123 43 V 4.5464 7.9237 114.0456 59.1943 35.6288 175.4162 44 T 3.9968 8.3665 112.4841 62.1624 69.1263 174.4560 45 L 4.6490 8.1446 124.1053 54.4620 42.3456 176.4357 46 D 4.5290 7.8382 117.1602 52.4528 40.8399 175.3609 47 L 4.2750 8.1071 121.5520 53.3997 42.4923 175.6252 48 R 4.4112 7.9846 125.9076 54.5394 31.5056 176.8095 49 Y 4.4305 8.6361 120.7121 59.4143 38.4409 175.9272 50 N 5.2595 8.3148 116.6120 52.3074 38.1738 173.1737 51 R 5.1058 7.7444 119.6355 54.9773 32.9863 175.0610 52 V 4.3459 8.5834 124.9447 61.1947 34.4069 174.1055 53 R 4.6901 8.4831 127.3447 54.6611 31.6001 175.9297 54 V 4.1381 8.2575 124.4881 61.0117 34.0700 174.0581 55 F 5.2617 8.8092 127.0364 56.2655 40.8388 174.5750 56 Y 5.2005 8.6346 121.2563 54.8650 41.9605 174.1289 57 N 4.9732 9.4106 119.8147 52.6461 39.3106 174.3770 58 P 4.5837 0.0000 0.0000 65.3274 31.9907 178.2404 59 G 3.7542 8.4636 107.5115 48.3036 0.0000 174.7644 60 T 4.2065 8.1978 109.0737 60.9907 69.9275 175.2188 61 N 4.5603 8.5806 118.7351 54.1749 36.9299 173.2789 62 V 4.8347 7.0203 110.9912 59.2239 34.8167 175.5438 63 V 4.2512 8.9895 125.8127 63.0437 32.2706 175.6927 64 N 5.1559 8.6685 122.1245 52.6218 38.6450 173.7612 65 H 4.9674 8.1684 114.5952 54.1177 32.7648 172.8277 66 V 4.0201 8.3567 122.2486 62.0429 32.0650 174.0974 67 P 4.5792 0.0000 0.0000 62.9832 32.5169 175.0452 68 H 5.4484 8.3146 118.9321 53.5996 32.7664 173.4935 69 V 3.7755 8.8101 121.4963 62.2411 32.2178 176.4445 70 G 3.4348 8.2167 115.1475 45.7133 0.0000 172.4079 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 8 K 8.17 4.30 0.00 1.86 1.75 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.44 7.81 9 S 7.49 4.87 0.00 3.87 3.59 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 0.00 0.00 0.00 10 F 9.36 5.10 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 12 E 8.25 3.99 0.00 1.99 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 2.11 1.98 0.00 13 V 7.70 3.50 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 1.05 0.00 0.00 0.63 0.00 0.00 14 V 7.51 3.93 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 0.86 0.00 0.00 1.08 0.00 0.00 15 G 9.18 4.04 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 0.00 0.00 0.00 16 K 7.92 4.33 0.00 1.89 1.71 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.32 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.37 1.39 7.81 17 T 8.48 4.35 4.41 0.00 0.00 0.00 0.00 0.00 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 18 V 8.19 3.31 1.66 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 0.01 0.00 0.00 0.26 0.00 0.00 19 D 7.80 4.16 0.00 2.64 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 20 Q 7.96 3.98 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 21 A 8.45 4.08 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.14 0.00 1.44 1.97 0.00 2.96 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 23 E 8.46 4.02 0.00 2.14 2.09 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 2.32 2.31 0.00 24 Y 8.31 4.10 0.00 3.09 2.93 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 25 F 8.34 4.33 0.00 3.37 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.05 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 1.25 0.00 0.00 27 L 7.88 4.02 0.00 1.68 1.16 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.64 4.55 0.00 2.50 2.47 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.32 5.12 0.00 3.41 3.38 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 30 P 0.00 4.48 0.00 2.15 2.28 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 31 Q 7.88 4.10 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.98 0.00 0.00 0.00 0.00 0.00 1.52 1.95 0.00 32 Y 7.66 4.92 0.00 3.06 2.72 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 33 D 9.49 4.69 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.94 4.51 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 0.67 0.00 0.00 0.11 0.00 0.00 35 Y 8.29 4.71 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 5.02 0.00 2.99 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 37 L 8.93 4.95 0.00 0.90 1.42 0.69 0.88 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 38 P 0.00 4.01 0.00 1.98 1.80 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 39 E 8.50 4.21 0.00 2.11 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 0.00 2.42 2.30 0.00 40 G 8.50 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 41 S 7.50 4.19 0.00 4.11 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 42 P 0.00 4.43 0.00 2.16 2.04 0.00 3.71 0.00 0.00 3.65 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 43 V 7.92 4.55 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 0.92 0.00 0.00 0.99 0.00 0.00 44 T 8.37 4.00 4.20 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 1.16 0.00 0.00 45 L 8.14 4.65 0.00 1.61 1.67 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.84 4.53 0.00 2.73 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 47 L 8.11 4.28 0.00 1.43 1.32 0.81 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.98 4.41 0.00 1.82 2.00 0.00 3.33 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 49 Y 8.64 4.43 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.31 5.26 0.00 2.96 3.13 0.00 0.00 5.73 7.66 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 51 R 7.74 5.11 0.00 1.98 2.05 0.00 2.88 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 52 V 8.58 4.35 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 0.27 0.00 0.00 0.21 0.00 0.00 53 R 8.48 4.69 0.00 1.63 1.33 0.00 3.17 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 54 V 8.26 4.14 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 1.19 0.00 0.00 0.34 0.00 0.00 55 F 8.81 5.26 0.00 3.14 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 56 Y 8.63 5.20 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.41 4.97 0.00 2.81 2.90 0.00 0.00 7.60 7.75 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 58 P 0.00 4.58 0.00 2.12 2.12 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 59 G 8.46 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 0.00 0.00 0.00 60 T 8.20 4.21 4.28 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 1.24 0.00 0.00 61 N 8.58 4.56 0.00 3.02 2.88 0.00 0.00 6.66 7.21 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 62 V 7.02 4.83 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 0.71 0.00 0.00 0.97 0.00 0.00 63 V 8.99 4.25 2.37 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 1.21 0.00 0.00 1.15 0.00 0.00 64 N 8.67 5.16 0.00 2.71 2.83 0.00 0.00 6.81 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.17 4.97 0.00 3.27 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.36 4.02 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 0.88 0.00 0.00 0.99 0.00 0.00 67 P 0.00 4.58 0.00 2.36 1.92 0.00 4.00 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 68 H 8.31 5.45 0.00 2.98 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.81 3.78 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 0.87 0.00 0.00 0.84 0.00 0.00 70 G 8.22 3.43 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 0.00