#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 -0.81 -0.29 1.61 0.01 -1.26 -5.16 113.70 107.80 2ecg s SER 2 Ca 0.00 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.54 2ecg s SER 2 Cb 0.00 1.67 0.15 0.00 0.21 0.00 0.00 66.02 68.05 2ecg s SER 2 CO 0.00 -0.15 1.07 -0.94 0.41 0.00 0.00 173.24 173.63 2ecg s SER 3 N 2.92 -0.40 0.00 2.44 1.04 -1.26 -5.15 113.70 113.29 2ecg s SER 3 Ca 0.08 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2ecg s SER 3 Cb -0.12 0.98 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2ecg s SER 3 CO -0.15 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2ecg n GLY 4 N 3.00 3.38 3.56 7.32 0.00 -1.26 -5.16 105.19 116.03 2ecg n GLY 4 Ca -0.16 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.09 0.03 1.61 1.04 -1.26 -5.17 113.70 108.86 2ecg s SER 5 Ca 0.00 1.45 -0.17 0.00 0.48 0.00 0.00 55.95 57.71 2ecg s SER 5 Cb 0.00 2.21 0.03 0.00 0.10 0.00 0.00 66.02 68.36 2ecg s SER 5 CO 0.00 -0.23 0.38 -0.55 0.98 0.00 0.00 173.24 173.82 2ecg s SER 6 N 2.87 -0.24 -0.37 7.02 0.15 -1.26 -5.10 113.70 116.77 2ecg s SER 6 Ca -0.03 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.63 2ecg s SER 6 Cb -0.12 0.39 0.29 0.00 -1.71 0.00 0.00 66.02 64.87 2ecg s SER 6 CO -0.19 -0.61 1.21 0.61 1.20 0.00 0.00 173.24 175.47 2ecg n GLY 7 N 0.68 -1.16 2.65 9.45 0.00 -1.26 -5.13 105.19 110.42 2ecg n GLY 7 Ca -0.19 0.73 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2ecg n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ecg s SER 8 N -0.58 1.65 -0.51 1.61 0.01 -1.26 -5.09 113.70 109.53 2ecg s SER 8 Ca 0.25 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.33 2ecg s SER 8 Cb 0.24 -0.16 0.14 0.00 0.21 0.00 0.00 66.02 66.46 2ecg s SER 8 CO -0.14 -0.29 0.31 -0.76 0.41 0.00 0.00 173.24 172.76 2ecg s LEU 9 N 2.16 3.39 -0.30 2.44 1.02 -1.26 -5.04 118.68 121.09 2ecg s LEU 9 Ca 0.04 -3.02 -0.16 0.00 0.02 0.00 0.00 54.13 51.01 2ecg s LEU 9 Cb -0.14 -1.24 0.17 0.00 0.02 0.00 0.00 46.19 45.00 2ecg s LEU 9 CO -0.06 -0.21 1.09 0.00 0.02 0.00 0.00 176.35 177.19 2ecg s GLN 10 N -0.20 0.22 -0.20 1.70 -2.07 -1.26 -5.15 119.66 112.70 2ecg s GLN 10 Ca 0.20 0.47 -0.04 0.00 -1.82 0.00 0.00 55.36 54.18 2ecg s GLN 10 Cb -0.18 0.20 0.09 0.00 -1.09 0.00 0.00 33.01 32.02 2ecg s GLN 10 CO -0.05 -0.06 0.18 -1.59 -1.32 0.00 0.00 175.29 172.44 2ecg s LYS 11 N 1.85 0.16 1.08 9.60 0.00 -1.26 -5.15 119.74 126.02 2ecg s LYS 11 Ca -0.05 0.05 -0.12 0.00 0.00 0.00 0.00 55.97 55.85 2ecg s LYS 11 Cb -0.04 -1.37 0.24 0.00 0.00 0.00 0.00 37.83 36.66 2ecg s LYS 11 CO -0.15 -0.71 1.07 -2.00 0.00 0.00 0.00 175.35 173.56 2ecg s GLU 12 N 2.26 -0.27 0.07 1.78 2.56 -1.26 -4.98 118.70 118.86 2ecg s GLU 12 Ca 0.06 1.08 -0.23 0.00 0.00 0.00 0.00 54.97 55.88 2ecg s GLU 12 Cb -0.16 -1.61 -0.06 0.00 2.00 0.00 0.00 34.13 34.30 2ecg s GLU 12 CO -0.14 -3.36 0.68 0.42 -0.56 0.00 0.00 175.26 172.31 2ecg s ILE 13 N -2.53 4.67 0.72 -3.70 1.01 -1.26 -5.06 121.20 115.05 2ecg s ILE 13 Ca 0.68 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 62.69 2ecg s ILE 13 Cb -0.24 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.22 2ecg s ILE 13 CO 0.62 0.46 1.07 -0.44 0.00 0.00 0.00 174.94 176.66 2ecg s SER 14 N -0.62 5.24 0.29 3.58 0.01 -1.26 -4.77 113.70 116.16 2ecg s SER 14 Ca 0.34 1.39 0.02 0.00 1.31 0.00 0.00 55.95 59.01 2ecg s SER 14 Cb -0.20 -2.23 0.60 0.00 0.21 0.00 0.00 66.02 64.40 2ecg s SER 14 CO 0.22 -1.50 1.82 0.00 0.41 0.00 0.00 173.24 174.18 2ecg h THR 15 N -0.76 0.86 -0.13 1.44 1.03 -1.98 -0.83 112.91 112.54 2ecg h THR 15 Ca -0.45 -0.32 0.03 0.00 -0.01 0.00 0.00 66.41 65.66 2ecg h THR 15 Cb 1.23 -0.16 -0.06 0.00 -1.07 0.00 0.00 68.15 68.09 2ecg h THR 15 CO 0.60 0.17 -0.54 -0.33 -0.01 0.00 0.00 175.52 175.41 2ecg h GLU 16 N 0.94 -0.56 0.68 0.00 5.08 -1.99 0.19 114.58 118.92 2ecg h GLU 16 Ca 0.52 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.89 2ecg h GLU 16 Cb 0.60 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2ecg h GLU 16 CO -0.30 -0.37 -0.33 0.93 -1.00 0.00 0.00 179.01 177.94 2ecg h GLU 17 N -0.58 -0.88 -0.97 2.33 4.39 -1.83 -2.00 114.58 115.03 2ecg h GLU 17 Ca 0.04 0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.89 2ecg h GLU 17 Cb 0.68 0.20 -0.12 0.00 -0.10 0.00 0.00 28.75 29.41 2ecg h GLU 17 CO -0.44 -0.59 -0.55 1.04 -1.16 0.00 0.00 179.01 177.31 2ecg n GLN 18 N -5.31 -0.41 -0.26 2.33 6.02 -0.36 0.37 117.38 119.77 2ecg n GLN 18 Ca -0.11 1.47 0.00 0.00 -0.01 0.00 0.00 57.00 58.35 2ecg n GLN 18 Cb 0.36 -2.16 0.13 0.00 1.02 0.00 0.00 30.24 29.59 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 0.61 -0.75 1.08 4.07 -0.68 0.11 115.31 119.75 2ecg h LEU 19 Ca 0.17 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2ecg h LEU 19 Cb 0.41 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2ecg h LEU 19 CO -0.92 0.37 0.13 0.54 -1.08 0.00 0.00 178.44 177.48 2ecg n ARG 20 N -4.76 0.07 -0.08 1.13 5.12 0.16 0.20 116.66 118.50 2ecg n ARG 20 Ca 0.11 0.53 -0.22 0.00 -1.93 0.00 0.00 57.85 56.34 2ecg n ARG 20 Cb 0.21 -1.87 -0.12 0.00 -1.16 0.00 0.00 32.46 29.52 2ecg n ARG 20 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ecg n ARG 21 N -1.89 0.62 -0.11 5.56 1.74 0.38 -4.00 116.66 118.97 2ecg n ARG 21 Ca -0.01 0.45 -0.22 0.00 -0.77 0.00 0.00 57.85 57.31 2ecg n ARG 21 Cb 0.14 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 2ecg n ARG 21 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2ecg n LEU 22 N -4.12 1.89 0.26 0.55 -0.00 -0.49 -3.93 117.00 111.15 2ecg n LEU 22 Ca -0.35 0.42 0.17 0.00 -0.00 0.00 0.00 56.01 56.25 2ecg n LEU 22 Cb 0.81 -0.90 0.82 0.00 -0.00 0.00 0.00 43.42 44.15 2ecg n LEU 22 CO 0.24 0.26 1.15 1.56 -0.00 0.00 0.00 177.39 180.60 2ecg h GLN 23 N -1.00 0.00 0.00 1.47 4.20 0.20 0.37 115.11 120.36 2ecg h GLN 23 Ca -0.40 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.10 2ecg h GLN 23 Cb 1.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 2ecg h GLN 23 CO -0.24 0.00 -1.02 0.93 -0.67 0.00 0.00 178.83 177.83 2ecg h GLU 24 N 0.00 0.00 -0.22 1.46 5.08 -1.67 -2.66 114.58 116.57 2ecg h GLU 24 Ca 0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2ecg h GLU 24 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2ecg h GLU 24 CO -0.00 0.99 0.00 -0.85 -1.00 0.00 0.00 179.01 178.15 2ecg n GLU 25 N -3.34 1.74 -0.01 2.33 0.28 0.13 -4.31 120.64 117.45 2ecg n GLU 25 Ca -0.00 -1.12 -0.03 0.00 -0.16 0.00 0.00 57.16 55.84 2ecg n GLU 25 Cb 0.94 -1.35 -0.01 0.00 1.43 0.00 0.00 31.44 32.45 2ecg n GLU 25 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ecg n LYS 26 N 0.36 0.19 -0.51 3.44 5.02 -0.95 -5.06 118.16 120.65 2ecg n LYS 26 Ca 0.15 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.34 2ecg n LYS 26 Cb 0.31 -0.80 0.15 0.00 -0.02 0.00 0.00 35.03 34.67 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 -3.71 -1.28 -4.25 -0.35 -0.00 -1.01 -4.80 117.00 101.60 2ecg n LEU 27 Ca -0.05 -0.40 -0.37 0.00 -0.00 0.00 0.00 56.01 55.19 2ecg n LEU 27 Cb 0.19 -0.76 0.05 0.00 -0.00 0.00 0.00 43.42 42.89 2ecg n LEU 27 CO 0.08 -3.28 -0.59 0.00 -0.00 0.00 0.00 177.39 173.59 2ecg n LYS 29 N 0.82 1.29 0.13 0.00 5.02 -1.26 -4.04 118.16 120.12 2ecg n LYS 29 Ca 0.05 0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2ecg n LYS 29 Cb 0.51 -1.09 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 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 0.07 -0.18 5.03 -1.93 -3.35 117.51 117.15 2ecg h ILE 30 Ca -0.10 -0.01 -0.31 0.00 -0.12 0.00 0.00 64.86 64.33 2ecg h ILE 30 Cb 1.18 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.94 2ecg h ILE 30 CO -0.01 0.00 -1.69 0.00 -0.68 0.00 0.00 178.15 175.77 2ecg n MET 32 N -3.29 -7.07 0.00 0.00 2.81 -1.26 -4.88 117.12 103.43 2ecg n MET 32 Ca -0.20 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 2ecg n MET 32 Cb 1.04 -5.76 0.00 0.00 -0.71 0.00 0.00 33.22 27.79 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 -2.96 1.51 -4.91 7.83 8.00 -1.26 -4.99 116.55 119.77 2ecg n ASP 33 Ca -0.13 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 2ecg n ASP 33 Cb 0.61 0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.36 2.35 -0.50 -1.24 1.81 -1.26 -5.03 118.95 113.72 2ecg s ARG 34 Ca 0.00 -0.84 -0.15 0.00 -1.72 0.00 0.00 55.73 53.02 2ecg s ARG 34 Cb 0.00 -2.45 0.10 0.00 -0.45 0.00 0.00 34.95 32.16 2ecg s ARG 34 CO 0.00 -0.89 0.42 0.54 -0.68 0.00 0.00 175.30 174.70 2ecg s ASN 35 N -4.50 6.09 -0.35 0.23 4.22 -1.26 -3.33 114.94 116.04 2ecg s ASN 35 Ca 0.59 -1.59 -0.31 0.00 -2.14 0.00 0.00 52.86 49.42 2ecg s ASN 35 Cb -0.09 -2.16 -0.13 0.00 1.28 0.00 0.00 41.25 40.14 2ecg s ASN 35 CO 0.40 -0.73 1.48 2.30 -2.04 0.00 0.00 177.10 178.51 2ecg n ILE 36 N 5.17 0.00 -1.82 0.54 -6.64 -1.26 -4.70 119.36 110.65 2ecg n ILE 36 Ca -0.13 0.00 0.03 0.00 -1.77 0.00 0.00 62.75 60.89 2ecg n ILE 36 Cb 0.42 -0.35 0.05 0.00 -1.44 0.00 0.00 39.64 38.32 2ecg n ILE 36 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2ecg n ALA 37 N 5.18 2.21 -3.04 -1.28 0.00 -1.25 -4.95 120.51 117.38 2ecg n ALA 37 Ca 0.38 -1.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.00 2ecg n ALA 37 Cb -0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.87 0.06 0.47 0.00 -1.09 -1.22 -1.87 121.20 116.68 2ecg s ILE 38 Ca 0.14 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2ecg s ILE 38 Cb 0.14 -0.30 -0.03 0.00 -1.58 0.00 0.00 42.46 40.69 2ecg s ILE 38 CO -0.02 -0.26 0.07 0.68 -1.23 0.00 0.00 174.94 174.18 2ecg s VAL 39 N -0.85 1.61 0.19 2.92 -7.23 -0.63 -4.39 120.40 112.01 2ecg s VAL 39 Ca -0.09 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 2ecg s VAL 39 Cb -0.05 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2ecg s VAL 39 CO 0.01 0.00 0.01 -0.36 -0.31 0.00 0.00 175.10 174.44 2ecg s PHE 40 N -2.78 2.84 -0.03 2.82 0.08 -1.22 -4.09 117.98 115.59 2ecg s PHE 40 Ca 0.22 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.16 2ecg s PHE 40 Cb 0.04 -1.36 -0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2ecg s PHE 40 CO 0.12 0.53 -0.14 0.08 -0.10 0.00 0.00 175.22 175.71 2ecg s VAL 41 N -1.80 1.12 -0.02 -0.44 1.01 -1.25 -2.21 120.40 116.81 2ecg s VAL 41 Ca 0.28 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2ecg s VAL 41 Cb -0.09 -0.97 -0.19 0.00 0.00 0.00 0.00 36.38 35.13 2ecg s VAL 41 CO 0.19 0.33 1.20 1.55 0.00 0.00 0.00 175.10 178.37 2ecg h PRO 42 N 6.17 -0.10 -6.06 2.72 0.13 -1.92 -3.37 132.00 129.57 2ecg h PRO 42 Ca -0.33 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 64.06 2ecg h PRO 42 Cb 1.17 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ecg h PRO 42 CO 0.48 0.35 1.09 0.00 -0.23 0.00 0.00 178.00 179.69 2ecg s GLY 44 N 4.90 1.83 -0.20 0.00 0.00 -0.94 -3.43 107.32 109.49 2ecg s GLY 44 Ca 1.06 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2ecg s GLY 44 CO 0.64 1.39 -0.14 0.30 0.00 0.00 0.00 173.10 175.29 2ecg s HIS 45 N 2.42 2.66 0.00 1.90 3.76 -1.26 -4.79 115.29 119.98 2ecg s HIS 45 Ca 0.13 -1.71 -0.02 0.00 -0.15 0.00 0.00 55.06 53.31 2ecg s HIS 45 Cb -0.20 -1.77 -0.08 0.00 1.11 0.00 0.00 32.58 31.63 2ecg s HIS 45 CO 0.11 -0.78 2.43 1.28 -0.85 0.00 0.00 174.74 176.93 2ecg n LEU 46 N 4.63 5.13 -1.60 0.89 7.99 -1.26 -4.09 117.00 128.68 2ecg n LEU 46 Ca -0.17 -2.57 -0.13 0.00 -0.01 0.00 0.00 56.01 53.14 2ecg n LEU 46 Cb 0.47 -1.18 0.19 0.00 -0.11 0.00 0.00 43.42 42.79 2ecg n LEU 46 CO 0.22 1.18 0.92 1.33 -1.51 0.00 0.00 177.39 179.53 2ecg n VAL 47 N 1.84 2.82 -3.69 4.08 0.24 -1.26 -4.76 118.33 117.60 2ecg n VAL 47 Ca 0.13 -2.47 -0.12 0.00 -2.04 0.00 0.00 64.34 59.84 2ecg n VAL 47 Cb 0.61 -0.40 -0.09 0.00 -1.47 0.00 0.00 33.84 32.49 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 -3.31 -0.00 0.69 3.34 -4.23 -1.26 -4.16 115.64 106.70 2ecg s THR 48 Ca 0.50 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.97 2ecg s THR 48 Cb 0.44 -0.75 0.15 0.00 1.34 0.00 0.00 72.50 73.67 2ecg s THR 48 CO 0.04 0.01 0.94 0.00 -0.54 0.00 0.00 174.62 175.07 2ecg h LYS 50 N 0.00 0.95 0.13 0.00 6.56 -1.88 0.36 116.57 122.68 2ecg h LYS 50 Ca -0.31 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.22 2ecg h LYS 50 Cb 1.01 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 2ecg h LYS 50 CO 0.28 0.63 -0.06 0.37 -2.06 0.00 0.00 179.45 178.61 2ecg h GLN 51 N 0.98 -0.16 -0.33 3.15 4.15 -1.99 -3.21 115.11 117.70 2ecg h GLN 51 Ca 0.45 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.92 2ecg h GLN 51 Cb 0.37 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.04 2ecg h GLN 51 CO -0.24 -0.11 -0.36 0.00 -1.93 0.00 0.00 178.83 176.20 2ecg n ALA 53 N -2.98 0.58 -0.02 0.00 0.00 0.11 0.19 120.51 118.38 2ecg n ALA 53 Ca -0.02 0.85 -0.17 0.00 0.00 0.00 0.00 53.44 54.10 2ecg n ALA 53 Cb 0.21 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 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 0.68 -0.09 0.00 5.08 -0.88 -3.29 114.58 116.07 2ecg h GLU 54 Ca 0.57 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ecg h GLU 54 Cb 1.33 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2ecg h GLU 54 CO -0.70 1.18 0.06 0.00 -1.00 0.00 0.00 179.01 178.55 2ecg h ALA 55 N 0.50 0.12 -2.48 3.43 0.00 0.44 -3.41 119.26 117.86 2ecg h ALA 55 Ca -0.05 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 2ecg h ALA 55 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ecg h ALA 55 CO 0.14 -0.38 0.59 0.14 0.00 0.00 0.00 179.25 179.74 2ecg s VAL 56 N -6.13 3.98 0.11 0.00 -7.23 0.82 -4.93 120.40 107.02 2ecg s VAL 56 Ca -0.13 1.42 0.05 0.00 -1.81 0.00 0.00 61.98 61.50 2ecg s VAL 56 Cb 0.07 -3.91 -0.22 0.00 0.56 0.00 0.00 36.38 32.88 2ecg s VAL 56 CO 0.68 0.10 1.25 0.44 -0.31 0.00 0.00 175.10 177.25 2ecg h ASP 57 N 6.87 0.08 -4.16 4.85 3.32 -1.84 -3.46 116.42 122.08 2ecg h ASP 57 Ca -0.41 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.35 2ecg h ASP 57 Cb 1.21 -0.03 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 2ecg h ASP 57 CO 0.82 1.07 -0.70 -1.59 -1.72 0.00 0.00 179.24 177.12 2ecg s LYS 58 N -2.70 0.12 -0.34 3.56 -2.85 -1.26 -1.04 119.74 115.23 2ecg s LYS 58 Ca 0.00 -0.20 -0.32 0.00 -1.00 0.00 0.00 55.97 54.46 2ecg s LYS 58 Cb 0.09 0.04 -0.14 0.00 -2.06 0.00 0.00 37.83 35.77 2ecg s LYS 58 CO 0.83 -0.02 1.14 0.00 0.10 0.00 0.00 175.35 177.40 2ecg n PRO 60 N 3.03 0.49 0.00 0.00 -0.04 -1.26 0.20 135.00 137.42 2ecg n PRO 60 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2ecg n PRO 60 Cb -0.04 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.79 2.08 0.00 0.54 2.81 -1.26 -4.77 117.12 115.73 2ecg n MET 61 Ca 0.07 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 2ecg n MET 61 Cb 0.03 -0.89 0.03 0.00 -0.71 0.00 0.00 33.22 31.69 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 -1.08 -3.14 0.00 4.01 0.54 -4.88 117.16 113.04 2ecg n TYR 63 Ca 0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.38 2ecg n TYR 63 Cb 0.22 -2.18 -0.07 0.00 -0.31 0.00 0.00 39.34 37.00 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 -2.12 4.93 0.36 -0.72 2.01 -1.24 -4.67 115.64 114.20 2ecg s THR 64 Ca 0.00 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 2ecg s THR 64 Cb 0.00 -4.02 -0.15 0.00 0.01 0.00 0.00 72.50 68.35 2ecg s THR 64 CO 0.00 -0.21 0.10 0.52 -0.69 0.00 0.00 174.62 174.34 2ecg n VAL 65 N 5.47 0.66 -3.59 3.82 0.31 -1.26 -1.25 118.33 122.49 2ecg n VAL 65 Ca -0.02 -0.46 -0.40 0.00 -0.01 0.00 0.00 64.34 63.45 2ecg n VAL 65 Cb 0.49 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.52 4.23 -0.22 2.52 1.01 -0.20 -4.65 121.20 122.37 2ecg s ILE 66 Ca 0.55 -2.49 0.20 0.00 0.00 0.00 0.00 60.65 58.91 2ecg s ILE 66 Cb -0.60 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.15 2ecg s ILE 66 CO 0.58 -0.87 1.10 0.00 0.00 0.00 0.00 174.94 175.75 2ecg h THR 67 N 5.46 0.23 -4.00 2.92 1.03 -1.88 -3.46 112.91 113.21 2ecg h THR 67 Ca -0.05 -1.41 -0.57 0.00 -0.01 0.00 0.00 66.41 64.38 2ecg h THR 67 Cb 1.01 1.82 -0.31 0.00 -1.07 0.00 0.00 68.15 69.60 2ecg h THR 67 CO 0.76 0.13 -0.84 0.12 -0.01 0.00 0.00 175.52 175.68 2ecg s PHE 68 N -3.18 1.72 -0.68 0.00 5.36 -1.26 -5.09 117.98 114.85 2ecg s PHE 68 Ca 0.00 -0.46 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2ecg s PHE 68 Cb 0.08 -1.15 0.17 0.00 -0.34 0.00 0.00 43.02 41.78 2ecg s PHE 68 CO 0.77 -0.14 0.48 0.15 -1.46 0.00 0.00 175.22 175.02 2ecg s LYS 69 N -0.07 2.47 0.37 10.12 -0.14 -1.26 -3.94 119.74 127.28 2ecg s LYS 69 Ca -0.01 -3.13 -0.12 0.00 -1.36 0.00 0.00 55.97 51.34 2ecg s LYS 69 Cb -0.11 -3.49 -0.07 0.00 -1.68 0.00 0.00 37.83 32.48 2ecg s LYS 69 CO 0.02 -1.24 0.75 -1.14 -0.76 0.00 0.00 175.35 172.98 2ecg s GLN 70 N -1.11 3.86 -0.02 1.68 -0.44 -1.26 -4.96 119.66 117.41 2ecg s GLN 70 Ca 0.23 0.53 0.03 0.00 -2.50 0.00 0.00 55.36 53.65 2ecg s GLN 70 Cb -0.11 -2.41 -0.03 0.00 -1.64 0.00 0.00 33.01 28.82 2ecg s GLN 70 CO -0.12 0.04 -0.08 0.21 0.50 0.00 0.00 175.29 175.85 2ecg s LYS 71 N -3.51 2.59 0.30 1.67 2.20 -1.26 -1.60 119.74 120.13 2ecg s LYS 71 Ca 0.52 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2ecg s LYS 71 Cb -0.10 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 2ecg s LYS 71 CO 0.26 0.62 0.48 0.96 -0.36 0.00 0.00 175.35 177.31 2ecg s ILE 72 N -0.90 5.16 -0.35 5.43 -4.36 -0.78 -4.94 121.20 120.46 2ecg s ILE 72 Ca 0.15 -0.63 0.14 0.00 -0.26 0.00 0.00 60.65 60.05 2ecg s ILE 72 Cb -0.11 -3.85 0.44 0.00 1.25 0.00 0.00 42.46 40.19 2ecg s ILE 72 CO 0.05 -0.46 0.98 0.49 0.24 0.00 0.00 174.94 176.23 2ecg n PHE 73 N -1.59 1.70 -0.32 1.37 3.72 -1.26 -4.87 117.46 116.22 2ecg n PHE 73 Ca -0.06 -2.93 0.15 0.00 -0.05 0.00 0.00 57.45 54.56 2ecg n PHE 73 Cb 0.56 -0.31 0.34 0.00 -0.94 0.00 0.00 39.48 39.13 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 2.90 0.41 0.00 -1.08 2.86 -1.96 -3.56 114.93 114.50 2ecg h MET 74 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2ecg h MET 74 Cb 1.10 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2ecg h MET 74 CO 0.59 0.27 0.00 -1.13 1.06 0.00 0.00 176.91 177.70