NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2444 8.2549 117.2741 54.8882 29.9431 174.9063 4 P 4.1564 0.0000 0.0000 60.7261 31.9843 176.6252 5 S 4.4019 8.6475 118.1406 60.9640 63.5553 176.2466 6 L 4.1245 7.9295 123.2358 58.6990 40.0100 179.2094 7 C 4.6827 8.2987 116.1024 58.7537 40.2887 174.3564 8 D 4.4853 7.9071 119.3015 53.8443 41.3482 176.8389 9 L 4.1922 7.0458 120.2163 53.8949 42.2607 175.1253 10 P 4.5306 0.0000 0.0000 61.4529 32.5579 175.8745 11 A 3.0462 7.9499 122.6317 52.2209 18.4411 176.8565 12 D 4.6695 7.8163 120.9948 52.3013 43.4270 175.5649 13 S 4.7867 8.2625 123.3632 59.5184 63.1824 175.3913 14 G 4.6297 8.6097 106.6248 45.9686 0.0000 172.6767 15 S 4.3753 8.2956 111.3694 59.3762 63.9791 174.7763 16 G 3.8750 7.7615 108.7084 45.8883 0.0000 172.7919 17 T 4.5009 8.1152 107.5191 60.9266 69.8384 173.7831 18 K 4.3011 8.2542 122.4336 56.1686 34.1037 175.8885 19 A 5.0206 8.4354 124.5981 50.2075 18.7918 175.2551 20 E 4.8054 8.9879 120.5567 54.4212 34.2299 174.5639 21 K 4.9555 8.4567 118.6200 55.0248 35.6338 176.0753 22 R 4.7788 8.7139 121.9766 54.7580 35.4391 173.5934 23 I 5.5051 9.2368 120.5592 60.0397 40.2537 174.9381 24 Y 5.4429 9.2848 123.7137 55.3979 41.8773 173.6639 25 Y 4.3760 9.7064 123.8158 56.9425 40.3340 174.2305 26 N 4.5241 7.8784 127.2387 51.8248 38.0908 175.5066 27 S 3.6922 8.1151 121.1569 60.7685 63.5739 176.1395 28 A 4.0204 7.9581 123.2677 55.3207 18.1439 178.5799 29 R 4.0797 8.2003 111.7079 56.0660 30.5003 176.6821 30 K 3.8677 7.6134 115.9969 55.5473 30.3617 174.8853 31 Q 4.6707 6.9717 113.3179 55.1084 32.2873 174.4169 32 C 4.9286 8.7723 118.9154 56.6857 41.7328 172.9059 33 L 4.8644 8.1664 123.6099 52.5897 45.1387 175.8140 34 R 5.1414 8.5987 120.6120 56.3320 31.2217 175.2135 35 F 5.0921 8.9628 118.1572 55.7208 41.8427 172.8227 36 D 4.9174 8.8020 120.5843 54.4240 42.0400 174.7083 37 Y 5.2080 8.6108 124.4671 56.0906 42.1432 175.7643 38 T 4.9421 7.4239 114.0078 61.0579 69.8465 176.2874 39 G 3.9230 7.6603 110.5355 45.4005 0.0000 173.3322 40 Q 4.5484 6.8123 116.9793 55.4991 33.4799 175.4144 41 G 3.9684 8.8956 107.1627 47.3302 0.0000 172.8960 42 G 3.9506 8.8443 109.8537 44.9268 0.0000 170.6396 43 N 5.1351 8.2641 116.3284 50.6467 40.4708 174.0313 44 E 3.9028 8.6229 116.5602 58.9689 30.0363 177.7365 45 N 4.7172 7.7869 119.0112 51.9999 37.3159 174.3901 46 N 5.1423 7.1384 116.2376 52.2286 42.0655 173.0983 47 F 4.9407 9.4941 124.5691 55.7661 42.5885 176.5501 48 R 4.3828 8.7898 122.4203 57.8667 30.5395 177.7146 49 R 4.7557 7.8192 116.4701 54.0196 33.8785 176.4810 50 T 3.8664 8.6016 119.9609 67.0282 68.4736 176.0835 51 Y 3.8945 8.0494 120.8316 60.8015 38.6900 177.7843 52 D 4.2375 8.0783 119.3826 57.2905 40.9803 179.0880 53 C 2.4692 7.3299 118.9971 58.9384 44.6158 175.7151 54 Q 3.6586 7.7211 119.9868 58.8183 28.1523 178.8460 55 R 3.7147 7.3775 115.2424 58.5340 29.4636 178.2327 56 T 4.1350 6.9977 115.9417 65.4601 69.1367 175.3479 57 C 4.3338 7.8889 116.3005 57.3321 41.9004 174.0119 58 L 3.9338 7.3350 124.2440 54.8034 41.2520 176.5363 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 3 R 8.25 4.24 0.00 1.87 1.99 0.00 3.05 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 4 P 0.00 4.16 0.00 2.30 2.04 0.00 3.65 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 2.12 2.12 0.00 5 S 8.65 4.40 0.00 4.06 4.14 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 6 L 7.93 4.12 0.00 1.96 1.99 1.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.30 4.68 0.00 3.09 3.34 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 8 D 7.91 4.49 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.05 4.19 0.00 1.73 1.61 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.53 0.00 2.10 2.01 0.00 3.76 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 1.92 1.93 0.00 11 A 7.95 3.05 -0.12 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.82 4.67 0.00 2.54 2.57 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 13 S 8.26 4.79 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.63 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 0.00 0.00 0.00 15 S 8.30 4.38 0.00 3.96 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 16 G 7.76 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.12 4.50 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 1.17 0.00 0.00 18 K 8.25 4.30 0.00 1.66 1.69 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.33 7.81 19 A 8.44 5.02 1.19 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 0.00 0.00 20 E 8.99 4.81 0.00 2.05 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 2.20 2.21 0.00 21 K 8.46 4.96 0.00 1.57 1.64 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 22 R 8.71 4.78 0.00 0.88 1.88 0.00 3.37 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.00 23 I 9.24 5.51 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.24 1.03 0.00 0.00 24 Y 9.28 5.44 0.00 3.05 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 25 Y 9.71 4.38 0.00 2.92 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 26 N 7.88 4.52 0.00 2.16 2.38 0.00 0.00 6.52 6.66 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 27 S 8.12 3.69 0.00 4.04 4.09 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 28 A 7.96 4.02 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 29 R 8.20 4.08 0.00 1.64 1.90 0.00 3.26 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 30 K 7.61 3.87 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.29 7.81 31 Q 6.97 4.67 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 7.06 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 32 C 8.77 4.93 0.00 2.85 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 33 L 8.17 4.86 0.00 1.48 1.63 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.60 5.14 0.00 1.92 1.93 0.00 3.31 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 35 F 8.96 5.09 0.00 3.07 2.99 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 36 D 8.80 4.92 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.61 5.21 0.00 2.42 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.42 4.94 4.15 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 1.20 0.00 0.00 39 G 7.66 3.92 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 0.00 40 Q 6.81 4.55 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.50 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 41 G 8.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 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 0.00 0.00 0.00 43 N 8.26 5.14 0.00 2.76 2.79 0.00 0.00 5.90 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 44 E 8.62 3.90 0.00 1.95 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 2.28 2.21 0.00 45 N 7.79 4.72 0.00 2.99 2.93 0.00 0.00 6.85 7.23 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 46 N 7.14 5.14 0.00 2.68 2.42 0.00 0.00 7.08 7.02 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 47 F 9.49 4.94 0.00 3.12 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 48 R 8.79 4.38 0.00 1.87 2.03 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 49 R 7.82 4.76 0.00 2.07 1.88 0.00 3.21 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 50 T 8.60 3.87 4.30 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 1.22 0.00 0.00 51 Y 8.05 3.89 0.00 3.10 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 52 D 8.08 4.24 0.00 3.02 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 53 C 7.33 2.47 0.00 2.31 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.66 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 55 R 7.38 3.71 0.00 1.75 1.57 0.00 3.06 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 56 T 7.00 4.13 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 1.33 0.00 0.00 57 C 7.89 4.33 0.00 2.11 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 0.00 0.00 0.00 0.00 58 L 7.34 3.93 0.00 1.59 1.44 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00