#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ecg h SER 2 N 0.00 -0.47 -6.13 1.61 0.87 -2.11 -3.47 113.55 103.85 2ecg h SER 2 Ca 0.00 -0.06 -0.44 0.00 -1.23 0.00 0.00 61.79 60.06 2ecg h SER 2 Cb 0.00 0.12 0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2ecg h SER 2 CO 0.00 -0.23 -0.75 -1.20 -0.53 0.00 0.00 176.83 174.12 2ecg n SER 3 N -5.27 -4.47 0.00 6.23 7.64 -1.26 -4.88 113.62 111.61 2ecg n SER 3 Ca -0.11 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2ecg n SER 3 Cb 0.27 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 2ecg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ecg n GLY 4 N -1.73 3.56 3.56 0.23 0.00 -1.26 -5.01 105.19 104.55 2ecg n GLY 4 Ca -0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 2ecg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ecg n SER 5 N 0.00 -5.41 -4.05 1.61 7.64 -1.26 -5.00 113.62 107.15 2ecg n SER 5 Ca 0.00 -0.56 -0.10 0.00 1.01 0.00 0.00 58.87 59.22 2ecg n SER 5 Cb 0.00 -5.06 -0.11 0.00 -1.01 0.00 0.00 64.21 58.03 2ecg n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2ecg s SER 6 N -3.56 0.60 0.00 6.43 0.01 -1.26 -5.09 113.70 110.83 2ecg s SER 6 Ca 0.46 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2ecg s SER 6 Cb -0.20 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2ecg s SER 6 CO 0.73 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2ecg n GLY 7 N 1.19 1.67 3.86 3.44 0.00 -1.26 -5.10 105.19 108.99 2ecg n GLY 7 Ca -0.21 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 6.28 -0.12 1.61 0.15 -1.26 -5.07 113.70 115.29 2ecg s SER 8 Ca 0.00 1.46 -0.01 0.00 0.70 0.00 0.00 55.95 58.10 2ecg s SER 8 Cb 0.00 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2ecg s SER 8 CO 0.00 -0.83 -0.10 -1.48 1.20 0.00 0.00 173.24 172.03 2ecg s LEU 9 N -4.95 2.91 -0.01 3.45 2.34 -1.26 -5.11 118.68 116.05 2ecg s LEU 9 Ca 0.56 -0.23 0.01 0.00 0.06 0.00 0.00 54.13 54.53 2ecg s LEU 9 Cb -0.11 -1.66 0.00 0.00 -0.56 0.00 0.00 46.19 43.86 2ecg s LEU 9 CO 0.49 0.20 -0.03 -1.10 -1.06 0.00 0.00 176.35 174.85 2ecg s GLN 10 N 0.15 0.32 -0.07 1.48 -0.21 -1.26 -5.14 119.66 114.93 2ecg s GLN 10 Ca -0.05 -0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2ecg s GLN 10 Cb -0.15 -0.35 0.02 0.00 1.00 0.00 0.00 33.01 33.53 2ecg s GLN 10 CO 0.04 0.03 -0.08 -1.59 -2.12 0.00 0.00 175.29 171.57 2ecg s LYS 11 N 0.17 1.31 0.03 2.91 -2.85 -1.26 -5.14 119.74 114.92 2ecg s LYS 11 Ca -0.01 -0.24 -0.11 0.00 -1.00 0.00 0.00 55.97 54.60 2ecg s LYS 11 Cb -0.04 -1.24 0.01 0.00 -2.06 0.00 0.00 37.83 34.50 2ecg s LYS 11 CO -0.00 -0.09 0.24 -2.00 0.10 0.00 0.00 175.35 173.59 2ecg s GLU 12 N 1.06 0.72 0.28 1.78 2.12 -1.26 -5.16 118.70 118.24 2ecg s GLU 12 Ca -0.08 -0.53 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 2ecg s GLU 12 Cb -0.14 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.48 2ecg s GLU 12 CO -0.01 -0.22 0.60 0.42 -0.54 0.00 0.00 175.26 175.52 2ecg s ILE 13 N -2.39 4.91 0.27 -3.70 1.01 -1.26 -5.09 121.20 114.95 2ecg s ILE 13 Ca -0.06 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.08 2ecg s ILE 13 Cb -0.02 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 2ecg s ILE 13 CO -0.03 -0.20 0.40 -0.44 0.00 0.00 0.00 174.94 174.68 2ecg s SER 14 N -2.64 6.25 0.46 3.58 0.01 -1.26 -4.93 113.70 115.17 2ecg s SER 14 Ca 0.48 0.06 0.21 0.00 1.31 0.00 0.00 55.95 58.01 2ecg s SER 14 Cb -0.11 -1.76 1.21 0.00 0.21 0.00 0.00 66.02 65.57 2ecg s SER 14 CO 0.24 -0.17 1.89 0.00 0.41 0.00 0.00 173.24 175.62 2ecg h THR 15 N 1.07 0.68 0.33 1.44 1.03 -1.98 -1.10 112.91 114.38 2ecg h THR 15 Ca -0.51 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 2ecg h THR 15 Cb 1.23 0.39 -0.03 0.00 -1.07 0.00 0.00 68.15 68.68 2ecg h THR 15 CO 0.59 0.05 -0.46 -0.33 -0.01 0.00 0.00 175.52 175.36 2ecg h GLU 16 N 0.26 -0.81 0.50 0.00 5.08 -1.99 -0.49 114.58 117.13 2ecg h GLU 16 Ca 0.41 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.80 2ecg h GLU 16 Cb 1.21 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2ecg h GLU 16 CO -0.10 -0.54 -0.24 1.49 -1.00 0.00 0.00 179.01 178.62 2ecg h GLU 17 N -0.84 -0.64 -0.79 2.33 4.57 -1.78 -2.55 114.58 114.87 2ecg h GLU 17 Ca -0.03 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 2ecg h GLU 17 Cb 0.78 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.42 2ecg h GLU 17 CO -0.14 -0.36 -0.47 1.04 -1.18 0.00 0.00 179.01 177.91 2ecg n GLN 18 N -5.24 -0.35 -0.15 1.92 6.02 -0.48 -0.21 117.38 118.89 2ecg n GLN 18 Ca -0.10 1.37 -0.02 0.00 -0.01 0.00 0.00 57.00 58.24 2ecg n GLN 18 Cb 0.30 -2.02 0.06 0.00 1.02 0.00 0.00 30.24 29.60 2ecg n GLN 18 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ecg h LEU 19 N 0.00 -0.11 -0.89 1.08 4.07 -1.18 0.26 115.31 118.54 2ecg h LEU 19 Ca 0.13 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.19 2ecg h LEU 19 Cb 0.32 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2ecg h LEU 19 CO -0.74 -0.03 0.33 0.03 -1.08 0.00 0.00 178.44 176.95 2ecg h ARG 20 N 0.17 0.00 0.00 1.13 2.47 -0.14 1.69 114.38 119.69 2ecg h ARG 20 Ca 0.24 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.86 2ecg h ARG 20 Cb 0.35 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 2ecg h ARG 20 CO -0.36 0.00 -0.69 0.00 0.56 0.00 0.00 179.97 179.48 2ecg h ARG 21 N 0.00 0.00 0.03 0.04 3.08 0.15 -3.31 114.38 114.38 2ecg h ARG 21 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2ecg h ARG 21 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 2ecg h ARG 21 CO 0.00 0.70 -1.25 1.37 -1.07 0.00 0.00 179.97 179.72 2ecg h LEU 22 N -1.00 0.10 -0.69 3.04 -0.00 -0.98 -3.29 115.31 112.49 2ecg h LEU 22 Ca -0.16 -0.65 0.13 0.00 -0.00 0.00 0.00 57.88 57.20 2ecg h LEU 22 Cb 0.94 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.48 2ecg h LEU 22 CO -0.10 1.51 0.23 1.56 -0.00 0.00 0.00 178.44 181.64 2ecg h GLN 23 N -0.79 0.37 0.00 0.17 4.20 0.22 0.70 115.11 119.98 2ecg h GLN 23 Ca -0.32 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2ecg h GLN 23 Cb 1.42 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.12 2ecg h GLN 23 CO -0.12 0.24 0.00 0.39 -0.67 0.00 0.00 178.83 178.67 2ecg n GLU 24 N -5.05 0.88 -0.03 1.46 -0.58 -1.20 -1.30 120.64 114.83 2ecg n GLU 24 Ca 0.12 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.90 2ecg n GLU 24 Cb 0.37 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.67 2ecg n GLU 24 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2ecg n GLU 25 N -0.94 0.80 -0.13 3.49 -0.58 0.23 -4.65 120.64 118.85 2ecg n GLU 25 Ca 0.19 -0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.61 2ecg n GLU 25 Cb 0.09 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 2ecg n GLU 25 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2ecg n LYS 26 N -2.21 0.59 -0.32 3.49 2.85 -0.10 -5.01 118.16 117.45 2ecg n LYS 26 Ca -0.09 0.18 -0.09 0.00 -1.05 0.00 0.00 58.31 57.26 2ecg n LYS 26 Cb 0.59 -1.46 0.09 0.00 -0.65 0.00 0.00 35.03 33.59 2ecg n LYS 26 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2ecg n LEU 27 N -3.60 0.00 -4.06 -5.58 -0.00 -0.42 -4.67 117.00 98.67 2ecg n LEU 27 Ca -0.47 -0.26 -0.35 0.00 -0.00 0.00 0.00 56.01 54.93 2ecg n LEU 27 Cb 0.92 -0.46 0.07 0.00 -0.00 0.00 0.00 43.42 43.95 2ecg n LEU 27 CO 0.16 -1.97 -1.62 0.00 -0.00 0.00 0.00 177.39 173.96 2ecg n LYS 29 N 1.25 1.00 0.10 0.00 5.02 -0.44 -4.50 118.16 120.59 2ecg n LYS 29 Ca -0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 2ecg n LYS 29 Cb 0.68 -0.71 -0.02 0.00 -0.02 0.00 0.00 35.03 34.96 2ecg n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2ecg h ILE 30 N 0.00 0.00 0.11 -0.18 5.03 -1.94 -3.39 117.51 117.15 2ecg h ILE 30 Ca 0.00 -0.32 -0.33 0.00 -0.12 0.00 0.00 64.86 64.09 2ecg h ILE 30 Cb 0.42 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.20 2ecg h ILE 30 CO 0.00 0.00 -1.77 0.00 -0.68 0.00 0.00 178.15 175.70 2ecg n MET 32 N -3.42 -6.82 -0.00 0.00 2.81 -1.26 -4.93 117.12 103.50 2ecg n MET 32 Ca -0.23 0.78 -0.03 0.00 -1.81 0.00 0.00 57.70 56.41 2ecg n MET 32 Cb 1.05 -5.66 -0.01 0.00 -0.71 0.00 0.00 33.22 27.90 2ecg n MET 32 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ecg n ASP 33 N -2.86 0.49 -4.77 7.83 2.03 -1.26 -4.98 116.55 113.02 2ecg n ASP 33 Ca -0.13 0.07 -0.25 0.00 0.52 0.00 0.00 54.79 55.00 2ecg n ASP 33 Cb 0.61 -0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.78 2ecg n ASP 33 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2ecg s ARG 34 N -2.07 2.78 0.48 -0.67 0.52 -1.26 -5.02 118.95 113.71 2ecg s ARG 34 Ca -0.04 -1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 53.94 2ecg s ARG 34 Cb 0.01 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.88 2ecg s ARG 34 CO 0.06 0.44 1.15 -0.80 0.02 0.00 0.00 175.30 176.17 2ecg s ASN 35 N -3.37 6.05 -0.19 0.23 0.01 -1.26 -3.06 114.94 113.35 2ecg s ASN 35 Ca 0.31 2.25 -0.29 0.00 -0.71 0.00 0.00 52.86 54.42 2ecg s ASN 35 Cb -0.09 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2ecg s ASN 35 CO 0.23 -1.00 1.09 0.27 -1.51 0.00 0.00 177.10 176.18 2ecg s ILE 36 N -1.62 4.59 -0.04 0.60 -5.25 -1.26 -4.46 121.20 113.75 2ecg s ILE 36 Ca 0.66 1.91 0.11 0.00 -0.99 0.00 0.00 60.65 62.34 2ecg s ILE 36 Cb -0.27 -4.23 0.19 0.00 2.95 0.00 0.00 42.46 41.10 2ecg s ILE 36 CO 0.32 -0.14 1.09 0.00 -1.79 0.00 0.00 174.94 174.41 2ecg n ALA 37 N 6.18 2.27 -3.11 2.27 0.00 -1.26 -4.70 120.51 122.16 2ecg n ALA 37 Ca 0.12 -1.80 -0.12 0.00 0.00 0.00 0.00 53.44 51.64 2ecg n ALA 37 Cb 0.46 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.75 0.08 0.43 0.00 -1.09 -1.26 -3.34 121.20 115.27 2ecg s ILE 38 Ca 0.17 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 2ecg s ILE 38 Cb 0.17 -0.65 -0.02 0.00 -1.58 0.00 0.00 42.46 40.38 2ecg s ILE 38 CO -0.04 -0.35 0.10 0.68 -1.23 0.00 0.00 174.94 174.10 2ecg s VAL 39 N -1.70 0.74 0.34 2.92 -7.23 -1.21 -4.30 120.40 109.96 2ecg s VAL 39 Ca -0.11 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 2ecg s VAL 39 Cb -0.05 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2ecg s VAL 39 CO 0.01 0.00 0.15 -0.36 -0.31 0.00 0.00 175.10 174.60 2ecg s PHE 40 N -3.13 2.73 -0.01 2.82 0.08 -1.23 -4.05 117.98 115.19 2ecg s PHE 40 Ca 0.20 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.89 2ecg s PHE 40 Cb 0.02 -1.65 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2ecg s PHE 40 CO 0.12 0.33 -0.04 0.08 -0.10 0.00 0.00 175.22 175.61 2ecg s VAL 41 N -2.41 0.32 0.03 -0.44 1.01 -1.25 -3.08 120.40 114.58 2ecg s VAL 41 Ca 0.38 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2ecg s VAL 41 Cb -0.03 -0.29 -0.16 0.00 0.00 0.00 0.00 36.38 35.91 2ecg s VAL 41 CO 0.23 0.10 1.33 1.55 0.00 0.00 0.00 175.10 178.31 2ecg h PRO 42 N 6.15 0.27 -6.05 2.72 0.13 -1.92 -3.30 132.00 130.00 2ecg h PRO 42 Ca -0.28 -0.14 -0.76 0.00 -0.87 0.00 0.00 66.00 63.95 2ecg h PRO 42 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ecg h PRO 42 CO 0.50 0.68 1.09 0.00 -0.23 0.00 0.00 178.00 180.04 2ecg s GLY 44 N 4.92 1.71 -0.30 0.00 0.00 -1.18 -3.49 107.32 108.99 2ecg s GLY 44 Ca 1.07 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2ecg s GLY 44 CO 0.65 1.59 0.05 0.30 0.00 0.00 0.00 173.10 175.68 2ecg s HIS 45 N 2.86 2.58 -0.10 1.90 3.76 -1.26 -4.84 115.29 120.18 2ecg s HIS 45 Ca 0.16 -2.18 0.00 0.00 -0.15 0.00 0.00 55.06 52.90 2ecg s HIS 45 Cb -0.19 -2.11 0.10 0.00 1.11 0.00 0.00 32.58 31.49 2ecg s HIS 45 CO 0.11 -0.88 1.58 1.47 -0.85 0.00 0.00 174.74 176.18 2ecg n LEU 46 N 4.60 4.71 0.10 0.89 -0.00 -1.26 -4.02 117.00 122.02 2ecg n LEU 46 Ca -0.02 -2.31 0.01 0.00 -0.00 0.00 0.00 56.01 53.69 2ecg n LEU 46 Cb 0.43 -0.83 -0.03 0.00 -0.00 0.00 0.00 43.42 42.99 2ecg n LEU 46 CO 0.17 0.84 0.19 -0.37 -0.00 0.00 0.00 177.39 178.21 2ecg h VAL 47 N 0.58 0.83 -2.36 1.47 -1.51 -1.87 -3.45 116.25 109.95 2ecg h VAL 47 Ca 0.11 -2.27 -0.50 0.00 -1.23 0.00 0.00 66.70 62.81 2ecg h VAL 47 Cb 1.16 2.34 -0.02 0.00 -2.13 0.00 0.00 31.29 32.64 2ecg h VAL 47 CO 0.24 0.47 -0.46 0.42 -1.23 0.00 0.00 177.57 177.02 2ecg s THR 48 N -2.92 5.18 0.23 7.19 -4.23 -1.26 -1.33 115.64 118.51 2ecg s THR 48 Ca 0.01 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 2ecg s THR 48 Cb 0.08 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2ecg s THR 48 CO 0.77 -0.22 0.21 0.00 -0.54 0.00 0.00 174.62 174.84 2ecg n LYS 50 N -1.03 -0.06 0.12 0.00 4.81 -1.26 0.71 118.16 121.44 2ecg n LYS 50 Ca -0.08 1.08 -0.09 0.00 -0.87 0.00 0.00 58.31 58.35 2ecg n LYS 50 Cb 0.57 -1.61 -0.05 0.00 0.02 0.00 0.00 35.03 33.96 2ecg n LYS 50 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2ecg h GLN 51 N 0.00 -0.44 0.84 1.64 1.08 -1.94 0.63 115.11 116.93 2ecg h GLN 51 Ca 0.34 0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.52 2ecg h GLN 51 Cb 0.52 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2ecg h GLN 51 CO -0.71 -0.29 -0.42 0.00 -0.95 0.00 0.00 178.83 176.46 2ecg h ALA 53 N -0.99 1.37 -0.21 0.00 0.00 0.26 0.50 119.26 120.20 2ecg h ALA 53 Ca -0.11 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2ecg h ALA 53 Cb 0.89 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 2ecg h ALA 53 CO 0.18 -0.61 -0.30 0.93 0.00 0.00 0.00 179.25 179.45 2ecg h GLU 54 N 0.06 0.57 -0.40 0.00 5.08 -0.61 -3.24 114.58 116.04 2ecg h GLU 54 Ca 0.63 -0.33 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2ecg h GLU 54 Cb 1.38 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 2ecg h GLU 54 CO -0.82 0.94 0.21 0.00 -1.00 0.00 0.00 179.01 178.34 2ecg h ALA 55 N 0.62 0.50 -2.36 3.43 0.00 0.18 -3.40 119.26 118.23 2ecg h ALA 55 Ca 0.02 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.35 2ecg h ALA 55 Cb 0.88 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 2ecg h ALA 55 CO 0.07 -0.13 0.41 0.14 0.00 0.00 0.00 179.25 179.74 2ecg s VAL 56 N -6.15 4.87 -0.67 0.00 -7.23 0.91 -4.92 120.40 107.20 2ecg s VAL 56 Ca -0.13 1.60 0.04 0.00 -1.81 0.00 0.00 61.98 61.68 2ecg s VAL 56 Cb 0.12 -4.12 0.27 0.00 0.56 0.00 0.00 36.38 33.21 2ecg s VAL 56 CO 0.72 -0.00 0.97 0.47 -0.31 0.00 0.00 175.10 176.95 2ecg n ASP 57 N 5.48 2.69 -3.65 4.85 8.00 -1.26 -4.77 116.55 127.90 2ecg n ASP 57 Ca 0.05 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.21 2ecg n ASP 57 Cb 0.48 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 2ecg n ASP 57 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ecg s LYS 58 N -1.54 0.17 -0.46 -1.24 -2.85 -1.26 -3.12 119.74 109.44 2ecg s LYS 58 Ca 0.19 0.29 -0.43 0.00 -1.00 0.00 0.00 55.97 55.01 2ecg s LYS 58 Cb 0.14 0.04 -0.18 0.00 -2.06 0.00 0.00 37.83 35.77 2ecg s LYS 58 CO 0.05 -0.03 1.95 0.00 0.10 0.00 0.00 175.35 177.42 2ecg n PRO 60 N 6.38 0.49 -0.09 0.00 -0.04 -1.26 0.24 135.00 140.72 2ecg n PRO 60 Ca 0.44 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2ecg n PRO 60 Cb 0.00 -1.44 -0.09 0.00 -0.04 0.00 0.00 33.50 31.94 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 -0.94 0.62 0.00 0.54 2.81 -1.26 -4.65 117.12 114.25 2ecg n MET 61 Ca 0.10 0.09 0.04 0.00 -1.81 0.00 0.00 57.70 56.12 2ecg n MET 61 Cb 0.05 -1.37 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.56 -0.57 -3.28 0.00 4.01 0.66 -4.94 117.16 112.50 2ecg n TYR 63 Ca 0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.36 2ecg n TYR 63 Cb 0.16 -3.56 -0.08 0.00 -0.31 0.00 0.00 39.34 35.55 2ecg n TYR 63 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2ecg s THR 64 N -2.82 5.05 -0.19 -0.72 2.01 -1.22 -4.79 115.64 112.96 2ecg s THR 64 Ca 0.00 0.29 -0.41 0.00 0.31 0.00 0.00 61.69 61.88 2ecg s THR 64 Cb 0.00 -3.93 -0.18 0.00 0.01 0.00 0.00 72.50 68.41 2ecg s THR 64 CO 0.00 -0.18 1.50 0.52 -0.69 0.00 0.00 174.62 175.77 2ecg n VAL 65 N 5.37 0.11 -2.60 3.82 0.31 -1.26 -2.10 118.33 121.98 2ecg n VAL 65 Ca -0.06 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 2ecg n VAL 65 Cb 0.49 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 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 2.06 4.00 -1.20 2.52 1.01 -1.18 -4.71 121.20 123.70 2ecg s ILE 66 Ca 0.95 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2ecg s ILE 66 Cb -1.18 -5.02 0.14 0.00 0.01 0.00 0.00 42.46 36.41 2ecg s ILE 66 CO 0.63 -1.88 0.83 1.07 0.00 0.00 0.00 174.94 175.59 2ecg n THR 67 N 6.70 0.40 -3.64 2.92 5.66 -1.24 -4.74 114.28 120.34 2ecg n THR 67 Ca 0.30 -0.23 -0.05 0.00 -3.05 0.00 0.00 64.05 61.03 2ecg n THR 67 Cb 0.51 -0.30 -0.07 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 -1.46 -0.66 -0.90 1.09 5.36 -1.26 -5.03 117.98 115.12 2ecg s PHE 68 Ca 0.10 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2ecg s PHE 68 Cb 0.07 0.40 0.32 0.00 -0.34 0.00 0.00 43.02 43.47 2ecg s PHE 68 CO 0.04 -0.33 1.50 1.63 -1.46 0.00 0.00 175.22 176.60 2ecg n LYS 69 N 3.56 4.60 -1.31 10.12 4.01 -1.26 -3.85 118.16 134.02 2ecg n LYS 69 Ca -0.18 -4.71 -0.37 0.00 -0.51 0.00 0.00 58.31 52.55 2ecg n LYS 69 Cb 0.58 -2.40 0.05 0.00 -0.51 0.00 0.00 35.03 32.74 2ecg n LYS 69 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 2ecg n GLN 70 N 0.12 0.32 -5.12 1.97 0.00 -1.26 -4.86 117.38 108.55 2ecg n GLN 70 Ca 0.39 0.14 -0.32 0.00 -0.00 0.00 0.00 57.00 57.21 2ecg n GLN 70 Cb 0.31 -1.67 -0.16 0.00 0.00 0.00 0.00 30.24 28.72 2ecg n GLN 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2ecg s LYS 71 N -2.35 3.00 -0.21 3.69 1.02 -1.26 -3.29 119.74 120.34 2ecg s LYS 71 Ca 0.64 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.80 2ecg s LYS 71 Cb -0.38 -2.35 -0.13 0.00 -0.52 0.00 0.00 37.83 34.45 2ecg s LYS 71 CO 0.59 0.24 -0.19 0.44 -0.92 0.00 0.00 175.35 175.51 2ecg n ILE 72 N 3.36 1.19 -3.50 2.17 -5.35 -1.21 -5.02 119.36 111.00 2ecg n ILE 72 Ca -0.18 -0.44 -0.24 0.00 -0.27 0.00 0.00 62.75 61.61 2ecg n ILE 72 Cb 0.53 -1.27 0.06 0.00 -1.74 0.00 0.00 39.64 37.22 2ecg n ILE 72 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2ecg n PHE 73 N -3.17 -2.63 -0.25 4.28 3.72 -1.25 -4.84 117.46 113.32 2ecg n PHE 73 Ca -0.37 0.89 0.04 0.00 -0.05 0.00 0.00 57.45 57.96 2ecg n PHE 73 Cb 0.88 -4.79 0.09 0.00 -0.94 0.00 0.00 39.48 34.72 2ecg n PHE 73 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2ecg n MET 74 N -4.76 -0.07 0.00 -1.08 2.81 -1.26 -5.13 117.12 107.63 2ecg n MET 74 Ca -0.01 1.07 0.11 0.00 -1.81 0.00 0.00 57.70 57.06 2ecg n MET 74 Cb 0.57 -1.60 0.09 0.00 -0.71 0.00 0.00 33.22 31.57 2ecg n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93