NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3506 8.2649 123.5825 52.1257 18.8436 174.6205 3 K 4.2959 7.6179 118.8295 55.7151 35.3298 173.2836 4 E 4.6696 8.6332 118.0379 54.8161 34.2521 174.6920 5 L 4.7811 8.4099 122.8402 52.9922 45.2024 176.2769 6 R 4.5543 8.3454 121.7693 54.5254 31.9024 177.0266 7 C 4.4439 8.4039 117.4701 57.0206 41.0038 174.4307 8 Q 4.0557 8.8629 120.8069 59.4928 28.3305 178.6075 9 C 4.5634 8.6957 119.0517 55.9485 38.9591 173.2791 10 I 3.7971 8.3612 126.1617 63.7740 36.8012 176.0812 11 K 4.5677 7.6007 115.2025 55.9806 35.2814 173.8445 12 T 4.9053 8.1241 107.8065 58.9124 71.4884 172.5253 13 Y 4.9461 8.4790 121.4777 55.9257 40.9194 175.0311 14 S 4.9090 9.1639 121.4337 59.4829 63.6848 174.5220 15 K 3.2515 7.6414 121.1599 55.6861 31.6614 174.3100 16 P 2.0000 0.0000 0.0000 61.9063 30.0625 176.2356 17 F 4.6305 6.5848 122.4875 56.9124 40.3089 174.6252 18 H 5.1336 8.7173 116.3960 53.8390 32.5891 173.1046 19 P 4.5182 0.0000 0.0000 65.0961 31.6165 178.5439 20 K 3.7609 8.1088 117.9137 59.6615 32.4735 177.6053 21 F 4.5677 7.8110 115.7052 57.9929 39.4308 174.9920 22 I 4.7341 7.6599 122.5602 59.8272 38.0010 175.5978 23 K 4.6652 8.0756 123.3113 56.2358 34.7511 176.1058 24 E 4.7331 7.7375 118.8204 54.1735 32.9261 173.9984 25 L 4.9289 8.5623 127.8134 53.5092 45.0198 175.6651 26 R 4.6454 8.8180 122.7452 54.7406 34.5411 174.0831 27 V 4.7898 8.5668 123.6537 61.0667 34.2776 174.4026 28 I 4.4997 8.4553 128.7250 59.4122 39.5212 175.2812 29 E 4.6310 9.1579 128.2646 54.3550 30.9841 175.9115 30 S 4.0958 8.2174 117.0908 59.3500 63.3049 174.1903 31 G 4.3864 8.9755 114.1238 42.7804 0.0000 171.1210 32 P 4.5174 0.0000 0.0000 64.2249 31.1024 176.2053 33 H 4.8614 8.2070 112.9815 55.4514 30.7127 174.3609 34 C 4.7225 7.9501 119.8663 54.8424 46.1636 173.5016 35 A 4.8372 8.5669 128.8179 52.1283 19.7471 176.3620 36 N 4.8832 7.6310 118.2955 54.2227 43.4398 173.2318 37 T 5.1471 8.5434 117.5318 62.9111 73.1627 173.0757 38 E 4.6578 8.8510 123.7193 54.7550 34.0220 174.5641 39 I 4.5999 8.3703 124.8813 60.5610 39.0186 174.8864 40 I 5.2088 8.9636 127.0233 59.7739 41.7375 174.7867 41 V 4.6914 8.5295 122.8033 60.3652 34.9091 172.9966 42 K 4.6105 8.7582 126.1048 56.0593 33.4081 175.1721 43 L 4.6113 8.7532 130.8128 53.7481 42.8913 177.6578 44 S 4.1848 8.6818 121.1980 61.2992 63.2023 175.0270 45 D 4.3848 8.3031 119.9351 58.4056 41.1000 176.2027 46 G 3.7815 6.9951 106.2254 44.8155 0.0000 171.8947 47 R 4.5043 7.4918 115.0084 55.6931 32.8335 174.1452 48 E 5.0785 8.6226 119.1726 55.0725 32.3196 175.0732 49 L 4.6900 8.5660 123.4373 53.9125 46.1004 173.4198 50 C 5.4064 8.9069 121.2763 55.2679 43.1247 173.0750 51 L 4.9829 8.7557 123.6756 53.1023 44.2896 175.8510 52 D 4.6895 8.2686 120.4722 51.9889 41.5603 175.2462 53 P 4.2289 0.0000 0.0000 63.9731 31.3285 177.3605 54 K 4.0725 7.8445 118.8132 57.5466 32.5370 176.2073 55 E 4.5475 7.9167 119.2507 55.0632 31.1398 176.8258 56 N 4.2936 8.6495 120.8162 56.0565 38.7527 177.7487 57 W 4.2994 8.0360 117.4338 59.1810 28.1672 178.4092 58 V 3.1472 6.2664 119.4782 65.6053 30.7650 177.6469 59 Q 4.0026 7.6666 118.9881 58.2789 28.7069 177.7745 60 R 4.0329 7.6894 119.5816 59.2986 30.4193 178.3705 61 V 3.7581 8.0650 112.1205 64.4903 31.6107 178.9180 62 V 3.7280 7.8985 117.9971 65.7989 31.3998 177.6626 63 E 4.0010 8.0027 118.9713 59.2798 29.4634 178.9724 64 K 4.0019 8.5330 118.9223 59.3489 32.1338 178.8752 65 F 4.1999 8.1147 120.9615 61.4698 39.2567 177.2653 66 L 3.8000 7.9053 117.9154 57.6981 41.6069 179.4917 67 K 3.9814 8.2149 119.3839 58.9183 32.0215 178.8784 68 R 3.8722 8.2390 119.4823 59.0934 29.9664 178.2167 69 A 3.8633 7.8047 119.3440 54.3778 18.2622 178.8271 70 E 4.0084 7.7576 117.5825 59.1859 29.9409 177.9608 71 N 4.4081 7.8041 115.5008 56.1512 39.0536 175.0741 72 S 4.3478 7.7774 118.5815 58.6203 62.6159 173.4255 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 A 8.26 4.35 1.28 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 0.00 0.00 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.58 7.81 4 E 8.63 4.67 0.00 1.89 1.80 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 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.35 4.55 0.00 1.80 1.85 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 7 C 8.40 4.44 0.00 2.94 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.86 4.06 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.26 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 9 C 8.70 4.56 0.00 3.20 3.25 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 10 I 8.36 3.80 1.87 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 1.47 0.34 0.91 0.00 0.00 11 K 7.60 4.57 0.00 1.79 1.74 0.00 1.46 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.40 7.81 12 T 8.12 4.91 4.36 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 1.25 0.00 0.00 13 Y 8.48 4.95 0.00 3.02 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 14 S 9.16 4.91 0.00 4.23 4.13 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 15 K 7.64 3.25 0.00 0.79 1.03 0.00 1.50 0.00 0.00 1.10 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.09 7.81 16 P 0.00 2.00 0.00 1.44 1.18 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.00 17 F 6.58 4.63 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.72 5.13 0.00 3.46 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.52 0.00 2.34 2.63 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 20 K 8.11 3.76 0.00 1.58 1.80 0.00 0.65 0.00 0.00 1.17 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.84 0.21 7.81 21 F 7.81 4.57 0.00 3.15 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 22 I 7.66 4.73 1.95 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 1.36 0.70 0.26 0.00 0.00 23 K 8.08 4.67 0.00 1.58 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 24 E 7.74 4.73 0.00 2.00 1.69 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 2.23 2.28 0.00 25 L 8.56 4.93 0.00 1.29 1.59 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.82 4.65 0.00 1.72 1.75 0.00 3.11 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 V 8.57 4.79 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 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 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 1.12 0.86 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 1.86 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 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.95 3.99 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 0.00 0.00 0.00 31 G 8.98 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 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.84 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 36 N 7.63 4.88 0.00 2.57 2.57 0.00 0.00 6.76 7.04 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 37 T 8.54 5.15 4.23 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 1.20 0.00 0.00 38 E 8.85 4.66 0.00 1.90 1.78 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 0.00 2.20 2.26 0.00 39 I 8.37 4.60 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.90 0.00 0.00 40 I 8.96 5.21 1.94 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 1.29 0.72 0.93 0.00 0.00 41 V 8.53 4.69 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.80 0.00 0.00 42 K 8.76 4.61 0.00 1.96 1.67 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 43 L 8.75 4.61 0.00 1.64 1.53 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.68 4.18 0.00 4.14 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.38 0.00 2.54 2.71 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 46 G 7.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.49 4.50 0.00 1.83 2.01 0.00 2.90 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 48 E 8.62 5.08 0.00 1.93 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 2.17 2.44 0.00 49 L 8.57 4.69 0.00 1.62 1.41 0.93 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.91 5.41 0.00 2.99 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 51 L 8.76 4.98 0.00 1.50 1.55 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.27 4.69 0.00 2.68 2.49 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 53 P 0.00 4.23 0.00 2.02 2.02 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 54 K 7.84 4.07 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.92 4.55 0.00 1.16 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 2.19 2.30 0.00 56 N 8.65 4.29 0.00 2.84 2.89 0.00 0.00 6.89 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 57 W 8.04 4.30 0.00 3.57 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.27 3.15 1.58 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 0.70 0.00 0.00 -0.75 0.00 0.00 59 Q 7.67 4.00 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 60 R 7.69 4.03 0.00 2.14 1.99 0.00 3.30 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 61 V 8.07 3.76 2.28 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 1.20 0.00 0.00 1.29 0.00 0.00 62 V 7.90 3.73 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 1.00 0.00 0.00 0.95 0.00 0.00 63 E 8.00 4.00 0.00 2.17 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 2.33 2.38 0.00 64 K 8.53 4.00 0.00 2.13 1.92 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.50 7.81 65 F 8.11 4.20 0.00 3.09 3.32 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 0.00 0.00 0.00 0.00 66 L 7.91 3.80 0.00 1.92 1.69 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.21 3.98 0.00 1.96 1.79 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 68 R 8.24 3.87 0.00 1.88 1.91 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 69 A 7.80 3.86 0.79 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 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.76 4.01 0.00 1.99 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 2.27 2.27 0.00 71 N 7.80 4.41 0.00 2.78 2.85 0.00 0.00 7.19 6.93 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 72 S 7.78 4.35 0.00 4.04 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