NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3041 8.1585 120.3271 55.4199 34.0133 177.4785 2 A 3.3373 8.0239 118.0940 53.2094 16.1018 176.1408 3 T 3.4506 7.1330 106.5913 63.8420 66.4934 168.5538 4 T 4.4207 7.5315 109.3234 60.9134 71.7640 172.8560 5 M 4.7093 8.8429 123.9797 56.1798 39.7784 172.0690 6 E 3.6923 8.2130 124.3659 56.1987 25.7923 174.1337 7 Q 5.4656 8.6939 133.8573 57.3272 30.1571 174.4049 8 E 4.2444 8.7273 117.1952 56.9782 26.2123 173.4455 9 I 4.4246 7.7409 112.4609 58.4961 38.1961 174.5141 10 C 4.7233 8.9231 129.2785 57.8189 34.1657 173.8799 11 A 4.4925 8.4337 121.4066 52.7505 17.9038 177.3263 12 H 4.6848 9.0888 114.3588 58.1725 31.5317 173.5736 13 S 4.6508 7.1512 116.4566 57.5362 63.3313 173.3210 14 M 4.5737 7.4304 121.5517 56.5595 35.5653 174.3000 15 T 4.8804 8.2081 115.3350 62.6751 71.1473 175.4318 16 F 3.8155 9.1677 122.2836 61.3729 38.6616 178.3245 17 E 4.0786 8.3766 115.5740 58.7888 29.5214 178.0901 18 E 4.4298 8.4330 117.3361 56.4290 29.7842 177.5089 19 C 3.9293 8.0829 121.6960 61.6585 31.7469 173.0486 20 P 4.4780 0.0000 0.0000 64.0619 31.0155 177.3968 21 K 4.3699 7.8199 117.6871 57.5993 32.7670 177.7123 22 C 4.0819 7.3291 116.6168 62.7225 28.1664 174.9765 23 S 4.2537 7.8323 113.5300 60.5423 63.1218 174.3553 24 A 4.5162 7.2767 121.8194 51.4429 16.4052 176.8927 25 L 4.4279 7.6651 121.0837 53.6195 42.7788 176.1391 26 Q 3.3064 8.1202 113.0299 56.7567 26.8481 172.6829 27 Y 4.8734 7.1937 113.8252 56.9237 41.5346 175.6187 28 R 4.1362 8.7064 119.2137 58.1166 30.5274 177.4973 29 N 4.3802 7.8304 115.0617 56.7932 38.9303 174.3663 30 G 4.2421 7.2854 101.9001 46.0564 0.0000 172.0323 31 F 4.8687 8.9261 119.0371 59.1801 41.4996 174.0350 32 Y 4.4925 7.9188 124.2458 57.8266 38.8862 174.1798 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 8.16 4.30 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 2 A 8.02 3.34 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 3 T 7.13 3.45 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 1.21 0.00 0.00 4 T 7.53 4.42 4.22 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 1.23 0.00 0.00 5 M 8.84 4.71 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 6 E 8.21 3.69 0.00 2.13 2.06 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 2.18 2.21 0.00 7 Q 8.69 5.47 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.46 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 8 E 8.73 4.24 0.00 2.12 1.96 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 2.24 2.25 0.00 9 I 7.74 4.42 1.92 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 1.38 0.97 0.93 0.00 0.00 10 C 8.92 4.72 0.00 3.00 2.88 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 11 A 8.43 4.49 1.12 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 H 9.09 4.68 0.00 3.00 3.27 0.00 5.70 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 13 S 7.15 4.65 0.00 4.08 4.12 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 14 M 7.43 4.57 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.50 0.00 15 T 8.21 4.88 4.31 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 1.29 0.00 0.00 16 F 9.17 3.82 0.00 3.05 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 17 E 8.38 4.08 0.00 1.98 2.06 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 2.39 2.39 0.00 18 E 8.43 4.43 0.00 2.05 1.95 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 2.29 2.45 0.00 19 C 8.08 3.93 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.48 0.00 2.30 2.27 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 21 K 7.82 4.37 0.00 1.92 1.94 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.83 7.81 22 C 7.33 4.08 0.00 2.61 2.88 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 23 S 7.83 4.25 0.00 3.77 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 24 A 7.28 4.52 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 25 L 7.67 4.43 0.00 1.72 1.73 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 3.31 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.47 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 27 Y 7.19 4.87 0.00 3.06 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 28 R 8.71 4.14 0.00 1.74 1.91 0.00 3.27 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 29 N 7.83 4.38 0.00 2.87 2.86 0.00 0.00 6.87 7.84 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 30 G 7.29 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 0.00 0.00 0.00 0.00 31 F 8.93 4.87 0.00 3.00 2.97 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 32 Y 7.92 4.49 0.00 2.82 2.78 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