NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.1045 8.0544 120.3362 61.5014 32.7167 174.0991 7 D 4.7199 8.7552 123.3483 52.5262 42.9244 174.9884 8 C 5.0047 8.4589 124.1137 56.8206 36.5506 175.6821 9 S 3.9653 8.6650 118.4936 61.5279 62.7168 175.5572 10 E 4.2016 7.8288 115.5291 56.7457 28.9801 175.7696 11 Y 4.5090 7.7952 117.4872 55.1994 40.4881 173.6279 12 P 5.1579 0.0000 0.0000 62.4542 31.3130 175.6016 13 K 4.5872 9.0324 118.2082 53.8576 34.7420 176.0968 14 P 4.4382 0.0000 0.0000 64.7518 31.8499 176.0831 15 A 4.7661 7.2737 118.1219 50.7977 22.2621 174.5179 16 C 5.1362 8.4291 116.8209 54.9683 43.7868 174.6309 17 T 4.3184 8.4326 112.9629 61.9887 69.2251 173.6354 18 D 5.0449 8.3113 120.2155 53.9076 41.5848 176.8174 19 E 4.3441 8.2138 115.9460 55.8367 31.0066 174.8589 20 Y 4.8843 8.4158 121.0256 56.2910 39.9068 176.0502 21 R 4.4578 8.5499 127.4316 54.1741 33.0720 172.7175 22 P 4.7207 0.0000 0.0000 62.4096 33.2746 175.3764 23 L 4.9684 8.8709 120.6786 53.0801 46.0310 174.8085 24 C 4.9452 8.7757 123.3379 54.8075 41.0124 173.6414 25 G 4.5961 8.9613 114.6916 45.6889 0.0000 173.8056 26 S 4.5073 9.1309 114.7068 59.5134 63.1169 174.5549 27 D 4.6604 8.0969 119.8786 53.0107 39.4720 176.2704 28 N 4.2694 8.0624 115.1024 54.1272 36.7960 173.3128 29 K 4.3661 8.4191 120.9029 55.2219 33.9657 175.7186 30 T 4.5060 8.3331 124.4110 63.6745 69.1277 173.4923 31 Y 4.3390 9.2332 125.9077 56.5826 39.1349 177.5737 32 G 3.6929 9.1545 113.3220 48.4339 0.0000 172.4214 33 N 5.2059 7.6336 116.9936 51.6395 40.6947 175.1241 34 K 3.9724 8.4199 121.1255 59.8547 32.1945 179.0507 35 C 4.7035 8.2100 119.6019 59.2721 40.4879 175.1657 36 N 4.3669 9.0752 118.6085 56.2231 38.1595 177.2222 37 F 3.3586 8.2453 122.0299 61.3425 39.5258 176.6095 38 C 3.6679 8.1909 116.3831 59.7823 40.9249 175.9095 39 N 4.2098 8.0589 117.8615 55.8927 38.0529 177.3862 40 A 3.8288 7.4763 122.4879 54.8878 18.3798 179.6026 41 V 3.1640 6.9871 116.7375 66.0774 31.3949 178.3755 42 V 3.4946 7.3979 117.6457 66.0940 31.1887 177.6703 43 E 3.9669 8.0639 117.7628 58.6019 29.7365 177.8247 44 S 4.4012 7.9705 112.8394 57.2664 63.3914 173.4924 45 N 3.8931 9.1455 120.0126 55.0810 37.4755 174.9538 46 G 3.9258 8.2958 103.2093 45.7507 0.0000 175.3061 47 T 4.0657 7.4899 116.4812 65.1698 68.8976 175.1153 48 L 4.1600 8.0111 124.4968 54.6665 42.6633 175.6340 49 T 4.7787 8.6408 115.4941 59.5967 72.6021 172.2527 50 L 4.2688 8.3047 123.7432 54.5821 42.2888 175.9826 51 S 4.3826 8.9210 122.8411 60.3283 62.8000 173.3418 52 H 4.3518 7.0877 112.1866 54.8175 31.0278 172.9580 53 F 4.3399 8.7885 118.0770 58.4289 39.3600 176.4818 54 G 3.9331 8.5253 111.0275 44.4063 0.0000 173.3159 55 K 4.1361 8.1377 117.3636 56.3753 32.5995 178.2362 56 C 4.5003 9.4358 119.3925 57.4518 41.0480 173.7857 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 6 V 8.05 4.10 2.15 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 0.91 0.00 0.00 0.98 0.00 0.00 7 D 8.76 4.72 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 5.00 0.00 2.93 2.84 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 0.00 0.00 0.00 0.00 9 S 8.67 3.97 0.00 4.04 4.17 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 0.00 0.00 0.00 0.00 10 E 7.83 4.20 0.00 1.75 1.91 0.00 0.00 0.00 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 2.36 0.00 11 Y 7.80 4.51 0.00 3.29 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 12 P 0.00 5.16 0.00 2.21 2.11 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.03 4.59 0.00 1.78 1.64 0.00 1.21 0.00 0.00 1.52 0.00 0.00 2.49 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.05 0.76 7.81 14 P 0.00 4.44 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.27 4.77 1.21 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 0.00 0.00 0.00 0.00 0.00 16 C 8.43 5.14 0.00 2.99 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 17 T 8.43 4.32 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 18 D 8.31 5.04 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 19 E 8.21 4.34 0.00 2.13 1.99 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 2.31 2.28 0.00 20 Y 8.42 4.88 0.00 2.83 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 21 R 8.55 4.46 0.00 1.68 1.72 0.00 3.19 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 22 P 0.00 4.72 0.00 1.96 1.72 0.00 3.29 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 23 L 8.87 4.97 0.00 1.37 1.06 0.46 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.78 4.95 0.00 2.90 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.96 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.13 4.51 0.00 4.00 4.02 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 27 D 8.10 4.66 0.00 2.84 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 28 N 8.06 4.27 0.00 2.94 2.99 0.00 0.00 6.76 7.62 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 29 K 8.42 4.37 0.00 1.71 1.53 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.30 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.58 1.13 7.81 30 T 8.33 4.51 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 1.29 0.00 0.00 31 Y 9.23 4.34 0.00 3.12 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 32 G 9.15 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 0.00 0.00 0.00 33 N 7.63 5.21 0.00 2.99 3.09 0.00 0.00 6.36 6.67 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 34 K 8.42 3.97 0.00 1.89 1.92 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.55 7.81 35 C 8.21 4.70 0.00 3.21 3.33 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 36 N 9.08 4.37 0.00 3.17 3.08 0.00 0.00 6.67 7.79 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 37 F 8.25 3.36 0.00 3.08 3.12 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 38 C 8.19 3.67 0.00 1.74 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 39 N 8.06 4.21 0.00 2.75 2.87 0.00 0.00 6.86 6.45 0.00 0.00 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 A 7.48 3.83 0.96 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 0.00 0.00 41 V 6.99 3.16 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 0.80 0.00 0.00 0.07 0.00 0.00 42 V 7.40 3.49 2.19 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 1.02 0.00 0.00 1.01 0.00 0.00 43 E 8.06 3.97 0.00 1.98 1.92 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 2.31 2.30 0.00 44 S 7.97 4.40 0.00 4.05 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 45 N 9.15 3.89 0.00 2.79 2.88 0.00 0.00 7.16 7.73 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 46 G 8.30 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 0.00 0.00 0.00 47 T 7.49 4.07 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 1.24 0.00 0.00 48 L 8.01 4.16 0.00 1.46 1.35 1.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.64 4.78 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 50 L 8.30 4.27 0.00 1.19 1.33 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.92 4.38 0.00 3.87 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 52 H 7.09 4.35 0.00 3.22 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.79 4.34 0.00 3.04 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 54 G 8.53 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 0.00 0.00 0.00 55 K 8.14 4.14 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.54 7.81 56 C 9.44 4.50 0.00 2.88 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