#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 -0.64 0.33 1.61 0.01 -1.26 -5.18 113.70 108.57 2ecg s SER 2 Ca 0.00 0.56 -0.16 0.00 1.31 0.00 0.00 55.95 57.66 2ecg s SER 2 Cb 0.00 0.55 0.03 0.00 0.21 0.00 0.00 66.02 66.81 2ecg s SER 2 CO 0.00 -0.69 0.69 -0.44 0.41 0.00 0.00 173.24 173.22 2ecg s SER 3 N -1.54 -0.01 0.00 2.44 0.01 -1.26 -5.17 113.70 108.18 2ecg s SER 3 Ca -0.08 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2ecg s SER 3 Cb -0.00 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.98 2ecg s SER 3 CO 0.05 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.85 2ecg n GLY 4 N -0.49 3.89 3.82 3.44 0.00 -1.26 -5.19 105.19 109.40 2ecg n GLY 4 Ca -0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 2ecg n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ecg s SER 5 N 0.00 -0.25 -0.27 1.61 1.04 -1.26 -5.18 113.70 109.39 2ecg s SER 5 Ca 0.00 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.66 2ecg s SER 5 Cb 0.00 0.66 0.07 0.00 0.10 0.00 0.00 66.02 66.86 2ecg s SER 5 CO 0.00 -1.22 0.73 -0.55 0.98 0.00 0.00 173.24 173.18 2ecg s SER 6 N -2.92 -0.77 -0.38 7.02 0.15 -1.26 -5.13 113.70 110.41 2ecg s SER 6 Ca 0.11 1.43 0.05 0.00 0.70 0.00 0.00 55.95 58.25 2ecg s SER 6 Cb -0.05 1.43 0.17 0.00 -1.71 0.00 0.00 66.02 65.86 2ecg s SER 6 CO 0.05 -0.24 0.50 -0.83 1.20 0.00 0.00 173.24 173.92 2ecg s GLY 7 N 0.63 -0.69 -0.29 9.45 0.00 -1.26 -5.11 107.32 110.04 2ecg s GLY 7 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.45 2ecg s GLY 7 CO -0.03 3.23 -0.02 -0.56 0.00 0.00 0.00 173.10 175.71 2ecg s SER 8 N 1.79 4.74 0.33 1.64 0.01 -1.26 -5.10 113.70 115.85 2ecg s SER 8 Ca 0.16 -1.21 0.06 0.00 1.31 0.00 0.00 55.95 56.26 2ecg s SER 8 Cb -0.10 -1.69 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 2ecg s SER 8 CO -0.09 -0.23 0.00 -0.76 0.41 0.00 0.00 173.24 172.58 2ecg s LEU 9 N 1.25 2.45 -0.13 2.44 2.01 -1.26 -5.10 118.68 120.35 2ecg s LEU 9 Ca -0.05 -1.31 -0.29 0.00 0.01 0.00 0.00 54.13 52.49 2ecg s LEU 9 Cb -0.19 -0.60 -0.04 0.00 0.01 0.00 0.00 46.19 45.37 2ecg s LEU 9 CO -0.02 -0.47 1.63 -1.58 1.01 0.00 0.00 176.35 176.92 2ecg s GLN 10 N -3.79 4.01 -0.33 1.70 2.00 -1.26 -4.98 119.66 117.01 2ecg s GLN 10 Ca 0.34 1.96 -0.09 0.00 -2.00 0.00 0.00 55.36 55.57 2ecg s GLN 10 Cb 0.07 -4.00 0.02 0.00 0.80 0.00 0.00 33.01 29.90 2ecg s GLN 10 CO 0.15 -1.04 0.14 0.21 -0.50 0.00 0.00 175.29 174.25 2ecg s LYS 11 N 4.30 2.96 0.08 1.67 2.47 -1.26 -5.06 119.74 124.89 2ecg s LYS 11 Ca 0.72 -0.96 -0.17 0.00 -1.56 0.00 0.00 55.97 54.00 2ecg s LYS 11 Cb -0.29 -3.54 0.03 0.00 -1.46 0.00 0.00 37.83 32.57 2ecg s LYS 11 CO 0.28 -0.56 0.39 -2.00 0.16 0.00 0.00 175.35 173.62 2ecg s GLU 12 N 1.52 0.97 0.37 4.03 2.56 -1.26 -5.17 118.70 121.72 2ecg s GLU 12 Ca 0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 54.97 54.38 2ecg s GLU 12 Cb -0.18 0.43 -0.05 0.00 2.00 0.00 0.00 34.13 36.32 2ecg s GLU 12 CO 0.05 -0.35 0.68 0.42 -0.56 0.00 0.00 175.26 175.49 2ecg s ILE 13 N -3.08 4.92 0.46 -3.70 1.01 -1.26 -5.10 121.20 114.46 2ecg s ILE 13 Ca -0.01 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.93 2ecg s ILE 13 Cb 0.01 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.72 2ecg s ILE 13 CO -0.07 -0.50 0.66 -0.55 0.00 0.00 0.00 174.94 174.48 2ecg s SER 14 N -3.37 5.62 0.29 3.58 0.15 -1.26 -4.91 113.70 113.80 2ecg s SER 14 Ca 0.47 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 57.08 2ecg s SER 14 Cb -0.10 -1.08 0.45 0.00 -1.71 0.00 0.00 66.02 63.58 2ecg s SER 14 CO 0.33 -0.83 1.94 0.00 1.20 0.00 0.00 173.24 175.88 2ecg h THR 15 N 0.40 1.16 0.12 6.45 1.03 -1.98 -0.82 112.91 119.26 2ecg h THR 15 Ca -0.43 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.58 2ecg h THR 15 Cb 1.27 -0.06 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 2ecg h THR 15 CO 0.52 0.20 -0.30 -0.33 -0.01 0.00 0.00 175.52 175.61 2ecg h GLU 16 N 1.12 -0.45 0.95 0.00 5.08 -1.99 0.23 114.58 119.52 2ecg h GLU 16 Ca 0.35 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 2ecg h GLU 16 Cb 0.01 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ecg h GLU 16 CO -0.10 -0.30 -0.46 1.49 -1.00 0.00 0.00 179.01 178.64 2ecg h GLU 17 N -0.46 -1.23 -0.62 2.33 4.81 -1.94 -1.81 114.58 115.66 2ecg h GLU 17 Ca -0.01 0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2ecg h GLU 17 Cb 0.45 0.28 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 2ecg h GLU 17 CO -0.13 -0.82 -0.36 1.04 -0.73 0.00 0.00 179.01 178.00 2ecg n GLN 18 N -5.62 -0.27 -0.30 1.92 6.02 -0.32 0.43 117.38 119.23 2ecg n GLN 18 Ca -0.16 1.25 0.07 0.00 -0.01 0.00 0.00 57.00 58.15 2ecg n GLN 18 Cb 0.50 -1.85 0.22 0.00 1.02 0.00 0.00 30.24 30.14 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 0.57 -0.43 1.08 4.07 -0.98 0.46 115.31 120.09 2ecg h LEU 19 Ca 0.10 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2ecg h LEU 19 Cb 0.25 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2ecg h LEU 19 CO -0.58 0.26 0.03 -1.14 -1.08 0.00 0.00 178.44 175.92 2ecg n ARG 20 N -4.84 0.04 -0.11 1.13 3.00 0.17 0.13 116.66 116.18 2ecg n ARG 20 Ca 0.17 0.53 -0.23 0.00 -0.00 0.00 0.00 57.85 58.31 2ecg n ARG 20 Cb 0.41 -1.66 -0.11 0.00 0.00 0.00 0.00 32.46 31.10 2ecg n ARG 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ecg n ARG 21 N -1.71 0.57 -0.07 -0.14 1.74 0.16 -4.04 116.66 113.17 2ecg n ARG 21 Ca -0.00 0.52 -0.18 0.00 -0.77 0.00 0.00 57.85 57.41 2ecg n ARG 21 Cb 0.04 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 29.65 2ecg n ARG 21 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 2ecg h LEU 22 N -1.00 0.06 -1.98 0.55 -0.00 -1.17 -3.34 115.31 108.44 2ecg h LEU 22 Ca -0.42 -0.79 0.27 0.00 -0.00 0.00 0.00 57.88 56.94 2ecg h LEU 22 Cb 1.36 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.97 2ecg h LEU 22 CO -0.25 1.28 0.70 1.56 -0.00 0.00 0.00 178.44 181.73 2ecg h GLN 23 N -0.89 0.00 -0.84 0.17 4.20 0.76 0.94 115.11 119.45 2ecg h GLN 23 Ca -0.18 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 2ecg h GLN 23 Cb 1.23 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 2ecg h GLN 23 CO -0.07 0.00 0.10 -0.85 -0.67 0.00 0.00 178.83 177.34 2ecg n GLU 24 N -4.17 2.72 0.00 1.46 0.28 -1.25 -2.81 120.64 116.88 2ecg n GLU 24 Ca 0.20 -1.69 0.00 0.00 -0.16 0.00 0.00 57.16 55.51 2ecg n GLU 24 Cb 1.03 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 32.06 2ecg n GLU 24 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ecg n GLU 25 N 0.14 2.32 -0.11 3.44 -0.58 0.32 -4.85 120.64 121.32 2ecg n GLU 25 Ca 0.20 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.76 2ecg n GLU 25 Cb 0.87 -0.82 -0.10 0.00 -0.57 0.00 0.00 31.44 30.82 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 -1.16 0.54 -0.30 3.49 2.85 -1.09 -5.01 118.16 117.48 2ecg n LYS 26 Ca 0.00 0.15 -0.08 0.00 -1.05 0.00 0.00 58.31 57.33 2ecg n LYS 26 Cb 0.13 -1.42 0.08 0.00 -0.65 0.00 0.00 35.03 33.17 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 -3.40 0.00 -4.05 -5.58 -0.00 -1.12 -4.77 117.00 98.08 2ecg n LEU 27 Ca -0.41 -0.24 -0.37 0.00 -0.00 0.00 0.00 56.01 54.99 2ecg n LEU 27 Cb 0.90 -0.43 0.06 0.00 -0.00 0.00 0.00 43.42 43.94 2ecg n LEU 27 CO 0.17 -1.91 -1.75 0.00 -0.00 0.00 0.00 177.39 173.89 2ecg n LYS 29 N 1.71 2.40 0.04 0.00 -0.00 -0.90 -4.33 118.16 117.07 2ecg n LYS 29 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.26 2ecg n LYS 29 Cb 0.71 -0.80 -0.02 0.00 -0.00 0.00 0.00 35.03 34.92 2ecg n LYS 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2ecg h ILE 30 N 0.00 0.07 0.00 0.58 5.03 -1.93 -3.38 117.51 117.88 2ecg h ILE 30 Ca 0.00 -0.89 -0.26 0.00 -0.12 0.00 0.00 64.86 63.59 2ecg h ILE 30 Cb 0.35 0.13 -0.04 0.00 -3.03 0.00 0.00 36.82 34.22 2ecg h ILE 30 CO 0.00 0.02 -1.65 0.00 -0.68 0.00 0.00 178.15 175.85 2ecg n MET 32 N -2.99 -5.40 0.00 0.00 2.81 -1.26 -4.84 117.12 105.45 2ecg n MET 32 Ca -0.15 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 2ecg n MET 32 Cb 0.99 -5.37 0.00 0.00 -0.71 0.00 0.00 33.22 28.13 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 -2.94 0.26 -3.18 7.83 -0.08 -1.26 -5.00 116.55 112.18 2ecg n ASP 33 Ca -0.11 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.04 2ecg n ASP 33 Cb 0.60 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.13 2ecg n ASP 33 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ecg n ARG 34 N -2.50 -0.10 -4.59 -0.67 5.12 -1.26 -5.00 116.66 107.66 2ecg n ARG 34 Ca 0.00 -1.27 -0.34 0.00 -1.93 0.00 0.00 57.85 54.32 2ecg n ARG 34 Cb 0.17 -0.48 -0.11 0.00 -1.16 0.00 0.00 32.46 30.88 2ecg n ARG 34 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ecg s ASN 35 N -3.24 4.69 -0.35 0.55 2.20 -1.26 -3.36 114.94 114.16 2ecg s ASN 35 Ca 0.36 -0.02 -0.29 0.00 -0.94 0.00 0.00 52.86 51.97 2ecg s ASN 35 Cb -0.02 -1.18 0.00 0.00 -2.00 0.00 0.00 41.25 38.06 2ecg s ASN 35 CO 0.24 0.35 1.41 0.27 -2.94 0.00 0.00 177.10 176.44 2ecg s ILE 36 N -0.84 3.95 -0.05 0.54 -4.36 -1.26 -4.17 121.20 115.01 2ecg s ILE 36 Ca 0.13 1.01 0.11 0.00 -0.26 0.00 0.00 60.65 61.65 2ecg s ILE 36 Cb -0.11 -4.12 0.21 0.00 1.25 0.00 0.00 42.46 39.69 2ecg s ILE 36 CO 0.02 -0.61 1.09 0.00 0.24 0.00 0.00 174.94 175.69 2ecg n ALA 37 N 8.44 2.32 -3.12 2.27 0.00 -1.26 -4.86 120.51 124.30 2ecg n ALA 37 Ca 0.16 -1.89 -0.12 0.00 0.00 0.00 0.00 53.44 51.59 2ecg n ALA 37 Cb 0.47 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.86 0.05 0.52 0.00 -1.09 -1.26 -2.63 121.20 115.93 2ecg s ILE 38 Ca 0.19 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 2ecg s ILE 38 Cb 0.19 -0.42 0.00 0.00 -1.58 0.00 0.00 42.46 40.66 2ecg s ILE 38 CO -0.05 -0.22 0.11 0.68 -1.23 0.00 0.00 174.94 174.23 2ecg s VAL 39 N -0.83 1.25 0.33 2.92 -7.23 -1.18 -4.04 120.40 111.62 2ecg s VAL 39 Ca -0.09 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2ecg s VAL 39 Cb -0.05 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2ecg s VAL 39 CO 0.02 0.00 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.43 2ecg s PHE 40 N -2.86 2.52 -0.01 2.82 0.08 -1.23 -4.06 117.98 115.24 2ecg s PHE 40 Ca 0.12 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.77 2ecg s PHE 40 Cb 0.00 -1.41 -0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2ecg s PHE 40 CO 0.07 0.52 -0.07 0.08 -0.10 0.00 0.00 175.22 175.72 2ecg s VAL 41 N -2.51 0.58 -0.02 -0.44 1.01 -1.25 -2.67 120.40 115.10 2ecg s VAL 41 Ca 0.34 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 2ecg s VAL 41 Cb -0.01 -0.50 -0.20 0.00 0.00 0.00 0.00 36.38 35.67 2ecg s VAL 41 CO 0.19 0.17 1.23 1.55 0.00 0.00 0.00 175.10 178.24 2ecg h PRO 42 N 6.13 -0.04 -6.04 2.72 0.13 -1.90 -3.32 132.00 129.67 2ecg h PRO 42 Ca -0.31 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.10 2ecg h PRO 42 Cb 1.18 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2ecg h PRO 42 CO 0.50 0.43 1.20 0.00 -0.23 0.00 0.00 178.00 179.89 2ecg s GLY 44 N 5.61 1.41 -0.17 0.00 0.00 -1.09 -3.58 107.32 109.51 2ecg s GLY 44 Ca 1.08 -1.57 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 2ecg s GLY 44 CO 0.60 2.02 -0.06 0.30 0.00 0.00 0.00 173.10 175.96 2ecg s HIS 45 N 3.93 1.80 -0.39 1.90 3.76 -1.26 -4.77 115.29 120.26 2ecg s HIS 45 Ca 0.25 -1.16 -0.00 0.00 -0.15 0.00 0.00 55.06 54.00 2ecg s HIS 45 Cb -0.15 -1.36 0.31 0.00 1.11 0.00 0.00 32.58 32.49 2ecg s HIS 45 CO 0.14 -0.64 1.93 1.47 -0.85 0.00 0.00 174.74 176.79 2ecg n LEU 46 N 4.85 6.49 0.05 0.89 -0.00 -1.26 -3.68 117.00 124.34 2ecg n LEU 46 Ca -0.12 -3.41 -0.08 0.00 -0.00 0.00 0.00 56.01 52.40 2ecg n LEU 46 Cb 0.48 -0.97 0.07 0.00 -0.00 0.00 0.00 43.42 43.00 2ecg n LEU 46 CO 0.17 1.20 0.44 -0.37 -0.00 0.00 0.00 177.39 178.83 2ecg h VAL 47 N 0.92 1.36 -2.15 1.47 -1.51 -1.91 -3.44 116.25 110.98 2ecg h VAL 47 Ca 0.38 -1.96 -0.46 0.00 -1.23 0.00 0.00 66.70 63.44 2ecg h VAL 47 Cb 1.16 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 2ecg h VAL 47 CO 0.93 0.59 -0.42 0.42 -1.23 0.00 0.00 177.57 177.86 2ecg s THR 48 N -3.80 5.14 0.68 7.19 -4.23 -1.26 -2.13 115.64 117.23 2ecg s THR 48 Ca -0.06 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2ecg s THR 48 Cb 0.11 -3.81 0.12 0.00 1.34 0.00 0.00 72.50 70.26 2ecg s THR 48 CO 0.83 -0.31 0.93 0.00 -0.54 0.00 0.00 174.62 175.53 2ecg h LYS 50 N -0.30 0.93 0.34 0.00 3.11 -1.90 0.62 116.57 119.37 2ecg h LYS 50 Ca -0.33 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.44 2ecg h LYS 50 Cb 1.27 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2ecg h LYS 50 CO 0.39 0.62 -0.16 1.96 -2.81 0.00 0.00 179.45 179.45 2ecg h GLN 51 N 0.96 -0.44 0.26 1.90 4.20 -1.94 -3.17 115.11 116.89 2ecg h GLN 51 Ca 0.51 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.25 2ecg h GLN 51 Cb 0.55 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2ecg h GLN 51 CO -0.28 -0.29 -0.39 0.00 -0.67 0.00 0.00 178.83 177.20 2ecg n ALA 53 N -2.74 0.55 -0.10 0.00 0.00 0.21 0.24 120.51 118.68 2ecg n ALA 53 Ca -0.09 0.88 -0.11 0.00 0.00 0.00 0.00 53.44 54.13 2ecg n ALA 53 Cb 0.38 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 0.86 -0.75 0.00 4.39 -1.37 -3.10 114.58 114.61 2ecg h GLU 54 Ca 0.57 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 2ecg h GLU 54 Cb 1.29 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2ecg h GLU 54 CO -0.74 1.05 0.35 0.00 -1.16 0.00 0.00 179.01 178.51 2ecg h ALA 55 N 0.91 0.96 -2.01 3.43 0.00 0.36 -3.40 119.26 119.50 2ecg h ALA 55 Ca 0.08 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 2ecg h ALA 55 Cb 0.88 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2ecg h ALA 55 CO 0.08 0.54 0.75 0.14 0.00 0.00 0.00 179.25 180.75 2ecg s VAL 56 N -5.68 4.57 0.29 0.00 -7.23 -0.03 -4.92 120.40 107.40 2ecg s VAL 56 Ca -0.13 1.61 0.02 0.00 -1.81 0.00 0.00 61.98 61.67 2ecg s VAL 56 Cb 0.15 -4.36 0.10 0.00 0.56 0.00 0.00 36.38 32.83 2ecg s VAL 56 CO 0.82 -0.44 1.76 0.44 -0.31 0.00 0.00 175.10 177.37 2ecg h ASP 57 N 8.11 0.55 -4.77 4.85 5.19 -1.82 -3.45 116.42 125.08 2ecg h ASP 57 Ca -0.21 -0.15 -0.24 0.00 -0.62 0.00 0.00 57.03 55.80 2ecg h ASP 57 Cb 1.07 -0.15 -0.19 0.00 0.18 0.00 0.00 39.33 40.24 2ecg h ASP 57 CO 1.00 0.72 -0.72 -1.59 -3.12 0.00 0.00 179.24 175.53 2ecg s LYS 58 N -4.71 0.59 -0.46 3.56 -2.85 -1.26 -2.60 119.74 112.00 2ecg s LYS 58 Ca -0.08 -0.92 -0.44 0.00 -1.00 0.00 0.00 55.97 53.54 2ecg s LYS 58 Cb 0.14 -0.20 -0.18 0.00 -2.06 0.00 0.00 37.83 35.53 2ecg s LYS 58 CO 0.79 0.01 1.92 0.00 0.10 0.00 0.00 175.35 178.18 2ecg n PRO 60 N 6.17 0.49 -0.00 0.00 -0.04 -1.26 0.21 135.00 140.56 2ecg n PRO 60 Ca 0.43 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2ecg n PRO 60 Cb -0.00 -1.31 -0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.81 0.44 0.00 0.54 2.81 -1.26 -4.75 117.12 114.09 2ecg n MET 61 Ca 0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.03 2ecg n MET 61 Cb 0.03 -1.01 0.04 0.00 -0.71 0.00 0.00 33.22 31.57 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 0.43 -1.04 -3.14 0.00 4.02 0.55 -4.89 117.16 113.09 2ecg n TYR 63 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.53 2ecg n TYR 63 Cb 0.30 -2.48 -0.07 0.00 -0.02 0.00 0.00 39.34 37.07 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 -2.30 4.88 -0.04 -0.72 2.01 -1.24 -4.72 115.64 113.52 2ecg s THR 64 Ca 0.00 0.18 -0.40 0.00 0.31 0.00 0.00 61.69 61.78 2ecg s THR 64 Cb 0.00 -4.14 -0.20 0.00 0.01 0.00 0.00 72.50 68.17 2ecg s THR 64 CO 0.00 -0.49 1.10 0.52 -0.69 0.00 0.00 174.62 175.06 2ecg n VAL 65 N 5.72 0.00 -3.03 3.82 0.31 -1.26 -2.10 118.33 121.79 2ecg n VAL 65 Ca -0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.86 2ecg n VAL 65 Cb 0.48 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 33.33 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 0.23 4.73 -0.34 2.52 1.01 -1.07 -4.58 121.20 123.69 2ecg s ILE 66 Ca 0.91 -1.00 0.10 0.00 0.00 0.00 0.00 60.65 60.66 2ecg s ILE 66 Cb -1.27 -4.58 0.71 0.00 0.01 0.00 0.00 42.46 37.33 2ecg s ILE 66 CO 0.58 -1.26 1.69 1.07 0.00 0.00 0.00 174.94 177.02 2ecg n THR 67 N 5.54 2.64 -3.52 2.92 5.66 -1.25 -4.84 114.28 121.43 2ecg n THR 67 Ca -0.02 -1.39 -0.00 0.00 -3.05 0.00 0.00 64.05 59.59 2ecg n THR 67 Cb 0.44 -0.36 -0.05 0.00 -1.55 0.00 0.00 70.33 68.82 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 -2.70 -0.70 -1.00 1.09 2.19 -1.26 -5.04 117.98 110.56 2ecg s PHE 68 Ca 0.50 1.28 -0.06 0.00 0.33 0.00 0.00 56.93 58.99 2ecg s PHE 68 Cb 0.39 0.42 0.25 0.00 -1.31 0.00 0.00 43.02 42.77 2ecg s PHE 68 CO 0.13 -0.35 0.94 0.15 1.83 0.00 0.00 175.22 177.93 2ecg s LYS 69 N 2.03 3.74 0.43 10.12 -0.14 -1.26 -3.82 119.74 130.84 2ecg s LYS 69 Ca -0.06 -3.23 -0.25 0.00 -1.36 0.00 0.00 55.97 51.07 2ecg s LYS 69 Cb -0.06 -4.26 -0.08 0.00 -1.68 0.00 0.00 37.83 31.75 2ecg s LYS 69 CO -0.17 -1.25 1.27 -1.14 -0.76 0.00 0.00 175.35 173.30 2ecg s GLN 70 N -1.27 3.86 -0.38 1.68 -0.44 -1.26 -4.95 119.66 116.90 2ecg s GLN 70 Ca 0.29 2.05 -0.12 0.00 -2.50 0.00 0.00 55.36 55.08 2ecg s GLN 70 Cb -0.09 -2.63 0.02 0.00 -1.64 0.00 0.00 33.01 28.67 2ecg s GLN 70 CO -0.10 -0.55 0.23 0.15 0.50 0.00 0.00 175.29 175.51 2ecg s LYS 71 N -2.39 2.91 0.43 1.67 1.02 -1.26 -3.08 119.74 119.04 2ecg s LYS 71 Ca 0.60 -1.03 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 2ecg s LYS 71 Cb -0.36 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.16 2ecg s LYS 71 CO 0.45 -0.69 0.66 0.96 -0.92 0.00 0.00 175.35 175.81 2ecg s ILE 72 N 1.59 4.50 -0.50 2.17 -4.36 -1.08 -5.03 121.20 118.48 2ecg s ILE 72 Ca 0.03 -0.34 0.04 0.00 -0.26 0.00 0.00 60.65 60.12 2ecg s ILE 72 Cb -0.19 -3.67 0.17 0.00 1.25 0.00 0.00 42.46 40.02 2ecg s ILE 72 CO 0.08 -0.50 0.39 -0.36 0.24 0.00 0.00 174.94 174.78 2ecg s PHE 73 N -2.53 1.86 -0.06 1.37 0.08 -1.26 -4.76 117.98 112.67 2ecg s PHE 73 Ca 0.46 -2.63 -0.24 0.00 0.12 0.00 0.00 56.93 54.64 2ecg s PHE 73 Cb -0.10 -1.48 -0.29 0.00 -0.57 0.00 0.00 43.02 40.59 2ecg s PHE 73 CO 0.39 -0.74 0.90 0.52 -0.10 0.00 0.00 175.22 176.19 2ecg h MET 74 N 5.59 0.23 -0.02 0.44 2.86 -1.94 -3.54 114.93 118.55 2ecg h MET 74 Ca 0.23 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2ecg h MET 74 Cb 0.86 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2ecg h MET 74 CO 0.48 1.15 0.00 0.45 1.06 0.00 0.00 176.91 180.04