#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ecg s SER 2 N 0.00 -0.48 -0.31 1.61 0.15 -1.26 -5.03 113.70 108.37 2ecg s SER 2 Ca 0.00 0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.94 2ecg s SER 2 Cb 0.00 1.41 0.15 0.00 -1.71 0.00 0.00 66.02 65.86 2ecg s SER 2 CO 0.00 -0.09 2.25 -0.24 1.20 0.00 0.00 173.24 176.36 2ecg n SER 3 N 5.47 6.35 -1.55 5.45 2.88 -1.26 -4.85 113.62 126.11 2ecg n SER 3 Ca -0.07 -3.03 -0.01 0.00 -1.33 0.00 0.00 58.87 54.43 2ecg n SER 3 Cb 0.54 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 2ecg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ecg n GLY 4 N 0.62 -3.41 3.56 0.46 0.00 -1.26 -5.12 105.19 100.04 2ecg n GLY 4 Ca 0.33 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2ecg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ecg s SER 5 N -0.13 0.05 0.04 1.61 0.15 -1.26 -5.18 113.70 108.97 2ecg s SER 5 Ca -0.04 -1.03 -0.02 0.00 0.70 0.00 0.00 55.95 55.56 2ecg s SER 5 Cb 0.00 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 2ecg s SER 5 CO 0.10 -1.16 0.01 -0.55 1.20 0.00 0.00 173.24 172.85 2ecg s SER 6 N -3.06 0.31 -0.56 5.45 0.15 -1.26 -5.07 113.70 109.66 2ecg s SER 6 Ca 0.24 -0.69 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2ecg s SER 6 Cb -0.00 0.18 0.41 0.00 -1.71 0.00 0.00 66.02 64.90 2ecg s SER 6 CO 0.11 -0.48 1.49 0.61 1.20 0.00 0.00 173.24 176.16 2ecg n GLY 7 N 0.78 5.91 3.27 9.45 0.00 -1.26 -4.94 105.19 118.40 2ecg n GLY 7 Ca -0.19 -2.62 -0.08 0.00 0.00 0.00 0.00 46.02 43.13 2ecg n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ecg s SER 8 N -2.65 -0.28 0.08 1.61 0.15 -1.26 -5.16 113.70 106.19 2ecg s SER 8 Ca 0.51 1.00 0.07 0.00 0.70 0.00 0.00 55.95 58.24 2ecg s SER 8 Cb 0.42 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 66.09 2ecg s SER 8 CO -0.20 -0.23 -0.19 -0.76 1.20 0.00 0.00 173.24 173.05 2ecg s LEU 9 N 2.62 2.27 -0.21 3.45 2.01 -1.26 -5.14 118.68 122.42 2ecg s LEU 9 Ca -0.02 -0.63 -0.13 0.00 0.01 0.00 0.00 54.13 53.37 2ecg s LEU 9 Cb -0.12 -0.82 0.06 0.00 0.01 0.00 0.00 46.19 45.32 2ecg s LEU 9 CO -0.13 0.05 0.52 -1.10 1.01 0.00 0.00 176.35 176.70 2ecg s GLN 10 N -1.71 0.53 -0.02 1.70 -0.21 -1.26 -5.17 119.66 113.52 2ecg s GLN 10 Ca 0.05 0.93 -0.30 0.00 0.02 0.00 0.00 55.36 56.06 2ecg s GLN 10 Cb -0.10 0.08 0.07 0.00 1.00 0.00 0.00 33.01 34.06 2ecg s GLN 10 CO 0.03 -0.14 0.66 -1.59 -2.12 0.00 0.00 175.29 172.13 2ecg s LYS 11 N 1.32 1.07 -0.06 2.91 0.00 -1.26 -5.18 119.74 118.53 2ecg s LYS 11 Ca -0.08 0.16 -0.32 0.00 0.00 0.00 0.00 55.97 55.73 2ecg s LYS 11 Cb -0.07 0.50 0.12 0.00 0.00 0.00 0.00 37.83 38.39 2ecg s LYS 11 CO -0.13 -0.35 1.20 -2.00 0.00 0.00 0.00 175.35 174.06 2ecg s GLU 12 N -1.49 0.47 0.05 1.78 2.12 -1.26 -5.16 118.70 115.22 2ecg s GLU 12 Ca -0.10 -0.23 -0.18 0.00 0.36 0.00 0.00 54.97 54.82 2ecg s GLU 12 Cb -0.00 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 34.51 2ecg s GLU 12 CO 0.07 -0.21 0.53 0.42 -0.54 0.00 0.00 175.26 175.53 2ecg s ILE 13 N -2.56 4.81 1.17 -3.70 1.01 -1.26 -5.08 121.20 115.59 2ecg s ILE 13 Ca 0.11 1.12 -0.19 0.00 0.00 0.00 0.00 60.65 61.69 2ecg s ILE 13 Cb 0.02 -3.85 0.27 0.00 0.01 0.00 0.00 42.46 38.91 2ecg s ILE 13 CO -0.04 0.56 1.14 -0.94 0.00 0.00 0.00 174.94 175.67 2ecg s SER 14 N -1.10 1.24 0.28 3.58 1.04 -1.26 -4.76 113.70 112.72 2ecg s SER 14 Ca 0.28 0.56 0.06 0.00 0.48 0.00 0.00 55.95 57.33 2ecg s SER 14 Cb -0.19 -0.77 0.41 0.00 0.10 0.00 0.00 66.02 65.57 2ecg s SER 14 CO 0.18 -3.92 1.67 0.00 0.98 0.00 0.00 173.24 172.15 2ecg h THR 15 N -2.44 1.33 0.51 2.02 1.03 -1.98 -1.54 112.91 111.84 2ecg h THR 15 Ca -0.45 -1.64 -0.02 0.00 -0.01 0.00 0.00 66.41 64.30 2ecg h THR 15 Cb 1.28 1.77 -0.01 0.00 -1.07 0.00 0.00 68.15 70.12 2ecg h THR 15 CO 0.34 0.49 -0.39 -0.33 -0.01 0.00 0.00 175.52 175.62 2ecg h GLU 16 N 0.19 -0.85 0.16 0.00 5.08 -1.99 -0.17 114.58 117.00 2ecg h GLU 16 Ca 0.01 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2ecg h GLU 16 Cb 0.89 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2ecg h GLU 16 CO 0.07 -0.57 -0.08 0.93 -1.00 0.00 0.00 179.01 178.37 2ecg h GLU 17 N -0.88 -0.21 -0.27 2.33 4.39 -1.93 -2.53 114.58 115.48 2ecg h GLU 17 Ca -0.06 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2ecg h GLU 17 Cb 0.75 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.39 2ecg h GLU 17 CO 0.01 0.16 -0.36 1.96 -1.16 0.00 0.00 179.01 179.61 2ecg h GLN 18 N -0.63 -0.25 -0.71 2.33 4.20 -1.29 -0.85 115.11 117.91 2ecg h GLN 18 Ca -0.02 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.85 2ecg h GLN 18 Cb 0.47 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.21 2ecg h GLN 18 CO 0.04 -0.17 0.21 -0.07 -0.67 0.00 0.00 178.83 178.17 2ecg h LEU 19 N -0.26 0.11 -0.96 1.46 4.07 -1.12 0.48 115.31 119.09 2ecg h LEU 19 Ca 0.05 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2ecg h LEU 19 Cb 0.39 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2ecg h LEU 19 CO -0.39 0.03 0.27 0.03 -1.08 0.00 0.00 178.44 177.30 2ecg h ARG 20 N 0.33 0.00 0.00 1.13 2.47 -0.70 1.75 114.38 119.36 2ecg h ARG 20 Ca 0.39 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.91 2ecg h ARG 20 Cb 0.62 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 2ecg h ARG 20 CO -0.44 0.00 -1.06 0.00 0.56 0.00 0.00 179.97 179.03 2ecg h ARG 21 N 0.00 0.00 0.00 0.04 3.08 0.38 -3.32 114.38 114.57 2ecg h ARG 21 Ca 0.00 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2ecg h ARG 21 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 2ecg h ARG 21 CO 0.00 1.00 -1.40 1.47 -1.07 0.00 0.00 179.97 179.97 2ecg n LEU 22 N -4.46 1.90 -0.32 3.04 -0.00 -0.26 -4.16 117.00 112.74 2ecg n LEU 22 Ca -0.29 0.41 0.08 0.00 -0.00 0.00 0.00 56.01 56.21 2ecg n LEU 22 Cb 0.65 -0.96 0.25 0.00 -0.00 0.00 0.00 43.42 43.36 2ecg n LEU 22 CO 0.21 0.32 1.14 1.56 -0.00 0.00 0.00 177.39 180.63 2ecg h GLN 23 N -0.96 0.70 -0.16 1.47 4.20 0.23 0.29 115.11 120.88 2ecg h GLN 23 Ca -0.38 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.33 2ecg h GLN 23 Cb 1.36 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2ecg h GLN 23 CO -0.22 0.46 0.16 1.05 -0.67 0.00 0.00 178.83 179.61 2ecg h GLU 24 N 0.72 0.00 -0.35 1.46 4.11 -1.64 0.40 114.58 119.28 2ecg h GLU 24 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 2ecg h GLU 24 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ecg h GLU 24 CO -0.35 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.12 2ecg n GLU 25 N -3.93 1.95 0.00 1.06 -0.58 0.99 -4.36 120.64 115.76 2ecg n GLU 25 Ca 0.01 -1.46 -0.03 0.00 -0.42 0.00 0.00 57.16 55.27 2ecg n GLU 25 Cb 0.28 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.78 2ecg n GLU 25 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ecg n LYS 26 N 0.68 0.15 -0.53 3.49 5.02 0.13 -5.06 118.16 122.04 2ecg n LYS 26 Ca 0.15 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 2ecg n LYS 26 Cb 0.37 -0.71 0.13 0.00 -0.02 0.00 0.00 35.03 34.80 2ecg n LYS 26 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2ecg n LEU 27 N -3.59 -1.28 -4.09 -0.35 -0.00 -0.72 -4.71 117.00 102.25 2ecg n LEU 27 Ca -0.04 -0.38 -0.37 0.00 -0.00 0.00 0.00 56.01 55.23 2ecg n LEU 27 Cb 0.15 -0.72 0.08 0.00 -0.00 0.00 0.00 43.42 42.92 2ecg n LEU 27 CO 0.06 -3.15 -1.54 0.00 -0.00 0.00 0.00 177.39 172.76 2ecg n LYS 29 N 1.04 0.36 0.14 0.00 4.76 -1.02 -4.35 118.16 119.09 2ecg n LYS 29 Ca -0.01 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.37 2ecg n LYS 29 Cb 0.69 -0.90 -0.03 0.00 -1.84 0.00 0.00 35.03 32.95 2ecg n LYS 29 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2ecg h ILE 30 N 0.00 0.00 0.18 -0.18 5.03 -1.94 -3.36 117.51 117.23 2ecg h ILE 30 Ca 0.00 -0.06 -0.25 0.00 -0.12 0.00 0.00 64.86 64.43 2ecg h ILE 30 Cb 0.80 0.00 0.02 0.00 -3.03 0.00 0.00 36.82 34.62 2ecg h ILE 30 CO 0.00 0.00 -1.12 0.00 -0.68 0.00 0.00 178.15 176.35 2ecg n MET 32 N -3.96 -7.08 0.00 0.00 2.81 -1.26 -4.89 117.12 102.74 2ecg n MET 32 Ca -0.16 0.82 0.00 0.00 -1.81 0.00 0.00 57.70 56.55 2ecg n MET 32 Cb 0.93 -5.81 0.00 0.00 -0.71 0.00 0.00 33.22 27.63 2ecg n MET 32 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2ecg n ASP 33 N -3.01 1.57 -4.49 7.83 8.00 -1.26 -5.01 116.55 120.18 2ecg n ASP 33 Ca -0.15 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 2ecg n ASP 33 Cb 0.62 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.61 2ecg n ASP 33 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2ecg s ARG 34 N -1.44 1.76 0.42 -1.24 0.52 -1.26 -5.07 118.95 112.63 2ecg s ARG 34 Ca 0.00 -1.26 -0.25 0.00 -0.52 0.00 0.00 55.73 53.70 2ecg s ARG 34 Cb 0.00 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 2ecg s ARG 34 CO 0.00 0.46 1.23 0.54 0.02 0.00 0.00 175.30 177.55 2ecg s ASN 35 N -2.34 6.32 0.20 0.23 4.22 -1.26 -3.67 114.94 118.64 2ecg s ASN 35 Ca 0.19 2.49 -0.26 0.00 -2.14 0.00 0.00 52.86 53.15 2ecg s ASN 35 Cb -0.10 -2.62 -0.08 0.00 1.28 0.00 0.00 41.25 39.72 2ecg s ASN 35 CO 0.11 -0.83 0.83 0.27 -2.04 0.00 0.00 177.10 175.43 2ecg s ILE 36 N -1.36 4.30 -0.01 0.54 -0.00 -1.26 -4.70 121.20 118.72 2ecg s ILE 36 Ca 0.59 1.77 0.01 0.00 -0.00 0.00 0.00 60.65 63.01 2ecg s ILE 36 Cb -0.34 -4.15 0.01 0.00 -0.00 0.00 0.00 42.46 37.99 2ecg s ILE 36 CO 0.43 0.45 0.71 0.00 -0.00 0.00 0.00 174.94 176.53 2ecg n ALA 37 N 1.39 1.42 -2.76 2.27 0.00 -1.26 -4.71 120.51 116.85 2ecg n ALA 37 Ca -0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 2ecg n ALA 37 Cb 0.49 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 2ecg n ALA 37 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ecg s ILE 38 N -0.36 0.83 0.52 0.00 -1.09 -1.25 -2.61 121.20 117.24 2ecg s ILE 38 Ca 0.02 -1.10 0.03 0.00 -2.23 0.00 0.00 60.65 57.36 2ecg s ILE 38 Cb 0.01 -0.82 0.00 0.00 -1.58 0.00 0.00 42.46 40.07 2ecg s ILE 38 CO 0.00 -0.24 0.13 0.68 -1.23 0.00 0.00 174.94 174.28 2ecg s VAL 39 N -1.18 1.33 0.13 2.92 -7.23 0.64 -4.50 120.40 112.50 2ecg s VAL 39 Ca -0.05 -1.84 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2ecg s VAL 39 Cb -0.09 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 2ecg s VAL 39 CO 0.01 0.00 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.35 2ecg s PHE 40 N -2.84 2.73 -0.03 2.82 0.08 -1.23 -3.99 117.98 115.51 2ecg s PHE 40 Ca 0.15 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.07 2ecg s PHE 40 Cb 0.00 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 2ecg s PHE 40 CO 0.09 0.45 -0.15 0.08 -0.10 0.00 0.00 175.22 175.59 2ecg s VAL 41 N -1.35 1.24 -0.02 -0.44 1.01 -1.26 -1.95 120.40 117.62 2ecg s VAL 41 Ca 0.23 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2ecg s VAL 41 Cb -0.10 -1.06 -0.20 0.00 0.00 0.00 0.00 36.38 35.02 2ecg s VAL 41 CO 0.14 0.36 1.24 1.55 0.00 0.00 0.00 175.10 178.40 2ecg h PRO 42 N 6.05 -0.03 -6.10 2.72 0.13 -1.90 -3.34 132.00 129.53 2ecg h PRO 42 Ca -0.34 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.09 2ecg h PRO 42 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ecg h PRO 42 CO 0.48 0.45 1.13 0.00 -0.23 0.00 0.00 178.00 179.83 2ecg s GLY 44 N 5.05 1.89 -0.22 0.00 0.00 -0.82 -3.56 107.32 109.65 2ecg s GLY 44 Ca 1.03 -1.80 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2ecg s GLY 44 CO 0.59 1.26 -0.09 0.30 0.00 0.00 0.00 173.10 175.16 2ecg s HIS 45 N 2.18 2.58 0.00 1.90 3.76 -1.26 -4.79 115.29 119.66 2ecg s HIS 45 Ca 0.11 -1.80 -0.04 0.00 -0.15 0.00 0.00 55.06 53.18 2ecg s HIS 45 Cb -0.20 -1.68 -0.16 0.00 1.11 0.00 0.00 32.58 31.65 2ecg s HIS 45 CO 0.11 -0.78 2.59 1.28 -0.85 0.00 0.00 174.74 177.08 2ecg n LEU 46 N 4.63 4.03 -0.83 0.89 7.99 -1.26 -3.94 117.00 128.51 2ecg n LEU 46 Ca -0.14 -2.39 0.07 0.00 -0.01 0.00 0.00 56.01 53.54 2ecg n LEU 46 Cb 0.45 -1.04 0.21 0.00 -0.11 0.00 0.00 43.42 42.93 2ecg n LEU 46 CO 0.20 1.09 0.68 1.33 -1.51 0.00 0.00 177.39 179.18 2ecg n VAL 47 N 2.39 1.56 -3.73 4.08 0.24 -1.26 -4.57 118.33 117.03 2ecg n VAL 47 Ca 0.25 -1.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.07 2ecg n VAL 47 Cb 0.63 0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 33.04 2ecg n VAL 47 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2ecg s THR 48 N -1.76 -0.08 0.63 3.34 -4.23 -1.25 -2.44 115.64 109.84 2ecg s THR 48 Ca 0.33 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2ecg s THR 48 Cb 0.22 -0.27 0.05 0.00 1.34 0.00 0.00 72.50 73.84 2ecg s THR 48 CO 0.14 0.08 0.90 0.00 -0.54 0.00 0.00 174.62 175.21 2ecg h LYS 50 N -0.28 0.05 0.37 0.00 1.57 -1.90 1.10 116.57 117.47 2ecg h LYS 50 Ca -0.44 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 2ecg h LYS 50 Cb 1.30 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2ecg h LYS 50 CO 0.57 0.03 -0.18 1.96 -0.57 0.00 0.00 179.45 181.27 2ecg h GLN 51 N 0.05 -0.47 0.36 3.15 4.20 -1.95 -2.75 115.11 117.69 2ecg h GLN 51 Ca 0.57 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.30 2ecg h GLN 51 Cb 1.15 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2ecg h GLN 51 CO -0.85 -0.32 -0.29 0.00 -0.67 0.00 0.00 178.83 176.70 2ecg n ALA 53 N -2.54 0.79 -0.08 0.00 0.00 0.37 0.23 120.51 119.29 2ecg n ALA 53 Ca -0.08 0.81 -0.13 0.00 0.00 0.00 0.00 53.44 54.04 2ecg n ALA 53 Cb 0.28 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2ecg n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ecg h GLU 54 N 0.00 0.66 -0.18 0.00 4.39 -1.11 -3.24 114.58 115.10 2ecg h GLU 54 Ca 0.66 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2ecg h GLU 54 Cb 1.74 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.40 2ecg h GLU 54 CO -0.62 0.97 0.11 0.00 -1.16 0.00 0.00 179.01 178.31 2ecg h ALA 55 N 0.68 0.22 -2.18 3.43 0.00 0.37 -3.41 119.26 118.37 2ecg h ALA 55 Ca 0.04 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2ecg h ALA 55 Cb 0.87 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2ecg h ALA 55 CO 0.07 -0.27 0.87 0.14 0.00 0.00 0.00 179.25 180.06 2ecg s VAL 56 N -6.03 4.25 0.18 0.00 -7.23 -0.22 -4.91 120.40 106.44 2ecg s VAL 56 Ca -0.13 1.53 0.01 0.00 -1.81 0.00 0.00 61.98 61.58 2ecg s VAL 56 Cb 0.08 -3.99 -0.12 0.00 0.56 0.00 0.00 36.38 32.91 2ecg s VAL 56 CO 0.69 -0.11 1.42 0.44 -0.31 0.00 0.00 175.10 177.23 2ecg h ASP 57 N 8.08 0.34 -4.33 4.85 3.32 -1.82 -3.46 116.42 123.39 2ecg h ASP 57 Ca -0.28 -0.24 -0.39 0.00 0.02 0.00 0.00 57.03 56.13 2ecg h ASP 57 Cb 1.12 -0.10 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 2ecg h ASP 57 CO 0.95 1.00 -0.78 -1.59 -1.72 0.00 0.00 179.24 177.11 2ecg s LYS 58 N -3.41 0.77 -0.44 3.56 -2.85 -1.26 -1.70 119.74 114.40 2ecg s LYS 58 Ca -0.04 -0.65 -0.40 0.00 -1.00 0.00 0.00 55.97 53.88 2ecg s LYS 58 Cb 0.10 -0.73 -0.17 0.00 -2.06 0.00 0.00 37.83 34.98 2ecg s LYS 58 CO 0.83 0.18 1.75 0.00 0.10 0.00 0.00 175.35 178.21 2ecg n PRO 60 N 5.70 0.49 0.00 0.00 -0.04 -1.26 0.19 135.00 140.08 2ecg n PRO 60 Ca 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2ecg n PRO 60 Cb -0.04 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ecg n PRO 60 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2ecg n MET 61 N -0.55 0.55 0.00 0.54 2.81 -1.26 -4.78 117.12 114.43 2ecg n MET 61 Ca 0.01 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.95 2ecg n MET 61 Cb 0.01 -0.92 0.02 0.00 -0.71 0.00 0.00 33.22 31.62 2ecg n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ecg n TYR 63 N 0.16 -0.81 -3.03 0.00 4.02 0.52 -4.90 117.16 113.12 2ecg n TYR 63 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.51 2ecg n TYR 63 Cb 0.21 -2.98 -0.06 0.00 -0.02 0.00 0.00 39.34 36.49 2ecg n TYR 63 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2ecg s THR 64 N -2.53 4.74 0.04 -0.72 2.01 -1.24 -4.70 115.64 113.24 2ecg s THR 64 Ca 0.00 0.29 -0.35 0.00 0.31 0.00 0.00 61.69 61.95 2ecg s THR 64 Cb 0.00 -4.26 -0.18 0.00 0.01 0.00 0.00 72.50 68.07 2ecg s THR 64 CO 0.00 -0.65 0.88 0.52 -0.69 0.00 0.00 174.62 174.68 2ecg n VAL 65 N 5.99 0.39 -3.04 3.82 0.31 -1.26 -1.89 118.33 122.65 2ecg n VAL 65 Ca 0.00 -0.10 -0.44 0.00 -0.01 0.00 0.00 64.34 63.79 2ecg n VAL 65 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.38 2ecg n VAL 65 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ecg s ILE 66 N -0.19 4.81 -0.64 2.52 1.01 -0.69 -4.62 121.20 123.40 2ecg s ILE 66 Ca 0.79 -1.28 0.10 0.00 0.00 0.00 0.00 60.65 60.26 2ecg s ILE 66 Cb -1.10 -4.62 0.57 0.00 0.01 0.00 0.00 42.46 37.32 2ecg s ILE 66 CO 0.52 -1.30 1.38 1.07 0.00 0.00 0.00 174.94 176.62 2ecg n THR 67 N 5.38 1.81 -3.55 2.92 5.66 -1.25 -4.89 114.28 120.36 2ecg n THR 67 Ca 0.06 -0.95 -0.12 0.00 -3.05 0.00 0.00 64.05 59.99 2ecg n THR 67 Cb 0.46 -0.27 -0.05 0.00 -1.55 0.00 0.00 70.33 68.92 2ecg n THR 67 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2ecg s PHE 68 N -2.14 -0.43 -0.26 1.09 2.19 -1.26 -5.06 117.98 112.11 2ecg s PHE 68 Ca 0.38 0.64 -0.01 0.00 0.33 0.00 0.00 56.93 58.28 2ecg s PHE 68 Cb 0.28 0.46 0.08 0.00 -1.31 0.00 0.00 43.02 42.53 2ecg s PHE 68 CO 0.13 -0.45 0.03 0.15 1.83 0.00 0.00 175.22 176.91 2ecg s LYS 69 N -1.58 1.02 0.16 10.12 -0.14 -1.26 -4.24 119.74 123.81 2ecg s LYS 69 Ca -0.02 -0.94 0.06 0.00 -1.36 0.00 0.00 55.97 53.71 2ecg s LYS 69 Cb -0.00 -2.29 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 2ecg s LYS 69 CO 0.01 -0.78 0.04 -1.14 -0.76 0.00 0.00 175.35 172.72 2ecg s GLN 70 N 1.56 2.57 -0.12 1.68 -0.44 -1.26 -4.98 119.66 118.67 2ecg s GLN 70 Ca 0.03 -1.00 0.03 0.00 -2.50 0.00 0.00 55.36 51.91 2ecg s GLN 70 Cb -0.18 -2.46 0.01 0.00 -1.64 0.00 0.00 33.01 28.73 2ecg s GLN 70 CO -0.14 0.47 -0.22 -1.59 0.50 0.00 0.00 175.29 174.32 2ecg s LYS 71 N -2.91 2.94 0.08 1.67 -2.85 -1.26 -0.26 119.74 117.16 2ecg s LYS 71 Ca 0.28 -0.83 0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2ecg s LYS 71 Cb -0.10 -2.33 -0.22 0.00 -2.06 0.00 0.00 37.83 33.12 2ecg s LYS 71 CO 0.20 0.05 1.14 -0.84 0.10 0.00 0.00 175.35 175.99 2ecg h ILE 72 N 5.80 1.52 -5.51 3.79 -2.65 -1.85 -3.49 117.51 115.13 2ecg h ILE 72 Ca -0.28 -3.25 -0.29 0.00 1.03 0.00 0.00 64.86 62.07 2ecg h ILE 72 Cb 1.21 2.77 0.18 0.00 -2.05 0.00 0.00 36.82 38.92 2ecg h ILE 72 CO 0.52 0.87 -0.79 0.49 0.03 0.00 0.00 178.15 179.28 2ecg n PHE 73 N -3.31 -2.25 -0.17 0.16 3.72 -1.26 -4.90 117.46 109.46 2ecg n PHE 73 Ca -0.04 0.89 -0.06 0.00 -0.05 0.00 0.00 57.45 58.19 2ecg n PHE 73 Cb 0.97 -4.67 -0.00 0.00 -0.94 0.00 0.00 39.48 34.84 2ecg n PHE 73 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 2ecg h MET 74 N -1.56 -0.19 -0.02 -1.08 2.86 -1.91 -3.53 114.93 109.52 2ecg h MET 74 Ca -0.58 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2ecg h MET 74 Cb 1.32 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2ecg h MET 74 CO 0.47 -0.12 0.00 -1.13 1.06 0.00 0.00 176.91 177.18