#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itp n SER 2 N 0.00 -0.62 -0.04 1.61 3.41 -1.26 -4.87 113.62 111.85 1itp n SER 2 Ca 0.00 1.05 -0.04 0.00 -0.26 0.00 0.00 58.87 59.62 1itp n SER 2 Cb 0.00 -0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 63.03 1itp n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itp n ALA 3 N 0.64 1.80 0.00 7.33 0.00 -1.08 -5.04 120.51 124.15 1itp n ALA 3 Ca 0.17 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1itp n ALA 3 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1itp n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itp n GLY 4 N 2.52 -1.26 3.89 0.00 0.00 -1.20 -3.18 105.19 105.94 1itp n GLY 4 Ca -0.13 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1itp n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itp s LYS 5 N -0.47 3.49 0.27 1.61 -2.85 -1.26 -1.29 119.74 119.24 1itp s LYS 5 Ca 0.00 -0.15 0.04 0.00 -1.00 0.00 0.00 55.97 54.86 1itp s LYS 5 Cb 0.00 -3.14 -0.06 0.00 -2.06 0.00 0.00 37.83 32.57 1itp s LYS 5 CO 0.00 0.72 0.02 -0.06 0.10 0.00 0.00 175.35 176.13 1itp s PHE 6 N -1.17 1.76 -0.34 1.78 0.40 0.38 -1.99 117.98 118.80 1itp s PHE 6 Ca 0.22 -0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 55.61 1itp s PHE 6 Cb -0.13 -1.07 0.13 0.00 0.51 0.00 0.00 43.02 42.47 1itp s PHE 6 CO 0.11 -0.01 0.20 0.42 0.70 0.00 0.00 175.22 176.64 1itp s ILE 7 N -3.36 0.16 0.38 0.64 1.01 0.55 -2.38 121.20 118.20 1itp s ILE 7 Ca 0.33 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.41 1itp s ILE 7 Cb 0.07 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1itp s ILE 7 CO 0.12 -0.94 0.56 0.68 0.00 0.00 0.00 174.94 175.36 1itp s VAL 8 N 1.21 4.33 0.05 2.92 -7.23 -1.12 -0.64 120.40 119.92 1itp s VAL 8 Ca 0.17 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1itp s VAL 8 Cb -0.22 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1itp s VAL 8 CO -0.05 -0.32 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.76 1itp s ILE 9 N -2.35 0.21 0.00 -0.62 1.09 0.73 -2.21 121.20 118.05 1itp s ILE 9 Ca 0.45 -1.69 0.07 0.00 -1.10 0.00 0.00 60.65 58.38 1itp s ILE 9 Cb -0.10 -1.37 -0.03 0.00 -1.06 0.00 0.00 42.46 39.90 1itp s ILE 9 CO 0.35 -0.93 -0.21 -0.36 -0.10 0.00 0.00 174.94 173.68 1itp s PHE 10 N -3.64 2.48 0.99 3.97 0.08 -0.19 -0.72 117.98 120.94 1itp s PHE 10 Ca 0.04 -0.32 -0.13 0.00 0.12 0.00 0.00 56.93 56.65 1itp s PHE 10 Cb 0.06 -1.50 0.20 0.00 -0.57 0.00 0.00 43.02 41.21 1itp s PHE 10 CO -0.09 0.13 0.45 0.36 -0.10 0.00 0.00 175.22 175.97 1itp n LYS 11 N 2.02 -1.71 -1.07 0.44 2.85 -1.26 -4.51 118.16 114.93 1itp n LYS 11 Ca -0.16 -0.76 -0.24 0.00 -1.05 0.00 0.00 58.31 56.10 1itp n LYS 11 Cb 0.52 -1.43 0.10 0.00 -0.65 0.00 0.00 35.03 33.57 1itp n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1itp n ASN 12 N -1.83 5.60 0.00 -5.58 2.85 -1.26 -4.00 115.26 111.05 1itp n ASN 12 Ca 0.07 -3.39 0.00 0.00 -0.11 0.00 0.00 54.58 51.15 1itp n ASN 12 Cb 0.31 -0.90 0.00 0.00 1.24 0.00 0.00 39.78 40.43 1itp n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1itp n ASP 13 N -0.58 1.81 -4.13 1.20 -0.08 -1.26 -5.07 116.55 108.44 1itp n ASP 13 Ca 0.48 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.39 1itp n ASP 13 Cb 0.98 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.45 1itp n ASP 13 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1itp n VAL 14 N -2.51 0.00 -2.53 5.18 3.14 -1.26 -4.95 118.33 115.41 1itp n VAL 14 Ca 0.00 -0.49 -0.25 0.00 -2.96 0.00 0.00 64.34 60.65 1itp n VAL 14 Cb 0.38 0.00 0.14 0.00 -1.06 0.00 0.00 33.84 33.29 1itp n VAL 14 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1itp s SER 15 N -0.97 3.96 -0.05 6.55 1.04 -1.26 -4.97 113.70 118.00 1itp s SER 15 Ca 0.55 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.47 1itp s SER 15 Cb -0.47 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 1itp s SER 15 CO 0.65 -2.14 0.40 -0.08 0.98 0.00 0.00 173.24 173.05 1itp h GLU 16 N -0.78 -0.29 -0.75 4.02 4.57 -2.00 -2.57 114.58 116.78 1itp h GLU 16 Ca -0.35 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.02 1itp h GLU 16 Cb 1.25 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.86 1itp h GLU 16 CO 0.36 -0.19 0.51 -0.44 -1.18 0.00 0.00 179.01 178.06 1itp h ASP 17 N -0.89 0.26 -0.32 1.04 5.19 -1.99 0.18 116.42 119.89 1itp h ASP 17 Ca -0.03 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 1itp h ASP 17 Cb 0.23 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1itp h ASP 17 CO 0.05 0.12 0.16 0.11 -3.12 0.00 0.00 179.24 176.57 1itp h LYS 18 N 0.27 0.45 0.28 3.56 1.57 -1.96 0.18 116.57 120.92 1itp h LYS 18 Ca 0.37 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1itp h LYS 18 Cb 1.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1itp h LYS 18 CO -0.09 0.41 -0.42 0.82 -0.57 0.00 0.00 179.45 179.60 1itp h ILE 19 N 0.38 0.16 -0.37 1.86 2.04 -0.23 0.35 117.51 121.69 1itp h ILE 19 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1itp h ILE 19 Cb 0.10 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1itp h ILE 19 CO -0.02 0.00 0.25 0.03 0.00 0.00 0.00 178.15 178.42 1itp h ARG 20 N -0.76 0.18 0.28 2.37 3.08 -1.29 -2.65 114.38 115.59 1itp h ARG 20 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1itp h ARG 20 Cb 0.72 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1itp h ARG 20 CO -0.15 0.12 -0.14 0.93 -1.07 0.00 0.00 179.97 179.66 1itp h GLU 21 N 0.18 -0.37 -0.89 0.04 5.08 0.10 -1.76 114.58 116.97 1itp h GLU 21 Ca 0.17 0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.89 1itp h GLU 21 Cb 0.43 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.61 1itp h GLU 21 CO -0.03 -0.24 0.36 2.41 -1.00 0.00 0.00 179.01 180.51 1itp n THR 22 N -3.38 -0.37 0.25 1.13 -1.04 0.11 0.13 114.28 111.11 1itp n THR 22 Ca -0.05 1.84 -0.15 0.00 -2.04 0.00 0.00 64.05 63.65 1itp n THR 22 Cb 0.15 -2.90 -0.08 0.00 -1.82 0.00 0.00 70.33 65.67 1itp n THR 22 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1itp h LYS 23 N 0.00 -0.61 -0.98 -2.82 6.56 -1.42 -2.32 116.57 114.97 1itp h LYS 23 Ca 0.70 0.04 0.18 0.00 -1.06 0.00 0.00 60.65 60.50 1itp h LYS 23 Cb 1.76 0.14 -0.09 0.00 -0.57 0.00 0.00 32.23 33.47 1itp h LYS 23 CO -0.72 -0.32 0.61 -0.44 -2.06 0.00 0.00 179.45 176.52 1itp h ASP 24 N -0.82 0.74 -0.74 0.86 5.19 0.20 0.28 116.42 122.13 1itp h ASP 24 Ca -0.06 0.07 0.07 0.00 -0.62 0.00 0.00 57.03 56.49 1itp h ASP 24 Cb 0.56 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 1itp h ASP 24 CO 0.11 0.30 0.42 -0.08 -3.12 0.00 0.00 179.24 176.87 1itp h GLU 25 N 0.74 0.73 -0.25 3.56 4.81 0.04 0.37 114.58 124.59 1itp h GLU 25 Ca 0.54 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.53 1itp h GLU 25 Cb 0.86 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1itp h GLU 25 CO -0.31 0.48 -0.59 -0.24 -0.73 0.00 0.00 179.01 177.62 1itp h VAL 26 N 0.75 1.28 -0.98 0.32 3.04 -0.07 0.12 116.25 120.72 1itp h VAL 26 Ca 0.34 -1.78 0.04 0.00 -1.01 0.00 0.00 66.70 64.30 1itp h VAL 26 Cb 0.25 1.74 -0.06 0.00 -2.01 0.00 0.00 31.29 31.21 1itp h VAL 26 CO -0.21 0.57 0.63 0.40 -1.01 0.00 0.00 177.57 177.96 1itp h ILE 27 N 0.60 1.15 0.00 3.17 1.08 0.30 1.55 117.51 125.36 1itp h ILE 27 Ca -0.00 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1itp h ILE 27 Cb 1.20 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1itp h ILE 27 CO 0.13 0.22 -0.17 0.00 -0.69 0.00 0.00 178.15 177.64 1itp h ALA 28 N 1.41 0.90 0.00 1.87 0.00 -0.18 -3.37 119.26 119.90 1itp h ALA 28 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1itp h ALA 28 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1itp h ALA 28 CO -0.13 0.00 -0.10 1.49 0.00 0.00 0.00 179.25 180.51 1itp h GLU 29 N 0.00 0.00 0.00 0.00 4.81 0.19 -3.50 114.58 116.08 1itp h GLU 29 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1itp h GLU 29 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1itp h GLU 29 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1itp n GLY 30 N 1.79 -1.17 3.12 1.92 0.00 0.50 -5.05 105.19 106.31 1itp n GLY 30 Ca -0.01 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 1itp n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itp n GLY 31 N -1.19 -2.86 3.29 -0.02 0.00 -1.00 -4.79 105.19 98.62 1itp n GLY 31 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 1itp n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itp s THR 32 N -2.10 0.12 -0.04 2.61 2.01 0.11 -3.63 115.64 114.71 1itp s THR 32 Ca 0.45 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.45 1itp s THR 32 Cb -0.00 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 70.04 1itp s THR 32 CO 0.67 0.00 0.00 -0.63 -0.69 0.00 0.00 174.62 173.97 1itp s ILE 33 N -3.63 0.22 -0.06 1.82 -1.09 -1.26 -1.63 121.20 115.56 1itp s ILE 33 Ca 0.38 0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 1itp s ILE 33 Cb 0.04 -0.33 -0.11 0.00 -1.58 0.00 0.00 42.46 40.48 1itp s ILE 33 CO 0.21 0.17 0.07 1.07 -1.23 0.00 0.00 174.94 175.23 1itp n THR 34 N 4.37 0.43 -3.63 2.92 5.66 -0.97 -4.95 114.28 118.12 1itp n THR 34 Ca -0.22 -0.31 -0.11 0.00 -3.05 0.00 0.00 64.05 60.36 1itp n THR 34 Cb 0.50 -0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 68.70 1itp n THR 34 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1itp s ASN 35 N -3.76 -0.27 0.31 1.09 0.01 -0.58 -5.05 114.94 106.68 1itp s ASN 35 Ca -0.04 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1itp s ASN 35 Cb 0.03 0.47 -0.05 0.00 0.41 0.00 0.00 41.25 42.11 1itp s ASN 35 CO 0.34 -0.81 0.09 -1.83 -1.51 0.00 0.00 177.10 173.37 1itp s GLU 36 N -3.45 1.59 -0.16 -0.60 1.03 -1.26 -0.45 118.70 115.40 1itp s GLU 36 Ca 0.01 -1.89 -0.01 0.00 0.03 0.00 0.00 54.97 53.11 1itp s GLU 36 Cb 0.01 -0.58 0.04 0.00 -0.80 0.00 0.00 34.13 32.81 1itp s GLU 36 CO -0.09 -0.27 -0.05 0.71 -1.33 0.00 0.00 175.26 174.22 1itp s TYR 37 N -3.47 1.67 -0.58 4.83 2.02 0.11 -4.83 117.35 117.10 1itp s TYR 37 Ca 0.36 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 56.05 1itp s TYR 37 Cb 0.08 -1.30 0.34 0.00 -0.40 0.00 0.00 41.96 40.67 1itp s TYR 37 CO 0.15 -0.61 0.94 0.09 -1.57 0.00 0.00 175.55 174.54 1itp n ASN 38 N 4.88 4.39 -4.89 2.29 4.13 -1.26 -2.45 115.26 122.35 1itp n ASN 38 Ca -0.12 -3.66 -0.29 0.00 1.68 0.00 0.00 54.58 52.18 1itp n ASN 38 Cb 0.48 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 1itp n ASN 38 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1itp s MET 39 N -3.41 3.71 -0.97 3.52 -1.94 -0.72 -4.99 119.30 114.51 1itp s MET 39 Ca 0.48 0.24 -0.24 0.00 -1.71 0.00 0.00 55.69 54.47 1itp s MET 39 Cb 0.27 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.60 1itp s MET 39 CO -0.13 0.10 1.69 -1.25 -0.01 0.00 0.00 175.02 175.41 1itp s PRO 40 N -3.66 3.10 0.00 2.03 0.04 -1.26 -2.09 135.00 133.15 1itp s PRO 40 Ca 0.48 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1itp s PRO 40 Cb -0.11 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1itp s PRO 40 CO 0.30 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1itp n GLY 41 N 6.86 1.58 2.83 0.56 0.00 -1.26 -5.09 105.19 110.66 1itp n GLY 41 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 1itp n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1itp s MET 42 N 0.00 0.97 -0.31 1.61 0.00 -0.89 -5.02 119.30 115.67 1itp s MET 42 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 55.69 55.69 1itp s MET 42 Cb 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 34.83 33.70 1itp s MET 42 CO 0.00 -0.28 -0.01 0.15 0.00 0.00 0.00 175.02 174.87 1itp s LYS 43 N 1.85 1.75 0.03 4.11 1.02 -1.26 -1.76 119.74 125.47 1itp s LYS 43 Ca 0.05 -1.62 -0.00 0.00 0.02 0.00 0.00 55.97 54.41 1itp s LYS 43 Cb -0.12 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1itp s LYS 43 CO -0.06 -0.79 0.04 0.41 -0.92 0.00 0.00 175.35 174.02 1itp n GLY 44 N 4.35 3.06 3.54 -3.33 0.00 -1.02 -1.03 105.19 110.76 1itp n GLY 44 Ca -0.04 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1itp n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1itp s PHE 45 N -4.90 -0.38 -0.04 1.61 -0.12 -0.94 0.04 117.98 113.26 1itp s PHE 45 Ca 0.02 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.09 1itp s PHE 45 Cb -0.00 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.97 1itp s PHE 45 CO 0.02 -0.80 -0.13 0.00 -0.05 0.00 0.00 175.22 174.26 1itp s ALA 46 N -3.51 1.20 0.00 1.99 0.00 0.41 -2.80 121.76 119.04 1itp s ALA 46 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1itp s ALA 46 Cb -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1itp s ALA 46 CO -0.07 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.30 1itp n GLY 47 N 3.24 2.18 3.37 0.00 0.00 -1.00 -1.53 105.19 111.45 1itp n GLY 47 Ca -0.18 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 1itp n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1itp s GLU 48 N -0.05 2.99 0.02 1.61 2.12 -0.65 -0.47 118.70 124.28 1itp s GLU 48 Ca 0.00 -1.40 0.00 0.00 0.36 0.00 0.00 54.97 53.93 1itp s GLU 48 Cb 0.00 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1itp s GLU 48 CO 0.00 -1.11 0.02 1.28 -0.54 0.00 0.00 175.26 174.90 1itp n LEU 49 N 5.29 0.00 0.00 2.70 4.32 -0.41 0.03 117.00 128.93 1itp n LEU 49 Ca -0.12 -0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 55.70 1itp n LEU 49 Cb 0.43 -0.01 -0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1itp n LEU 49 CO 0.49 -0.37 0.27 0.41 -1.22 0.00 0.00 177.39 176.97 1itp n THR 50 N -0.76 0.00 0.17 -5.08 -1.04 -1.26 -2.64 114.28 103.68 1itp n THR 50 Ca 0.00 -1.05 0.05 0.00 -2.04 0.00 0.00 64.05 61.01 1itp n THR 50 Cb 0.02 0.79 0.23 0.00 -1.82 0.00 0.00 70.33 69.55 1itp n THR 50 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1itp h PRO 51 N 0.00 0.00 0.25 -2.82 0.13 -1.98 -2.60 132.00 124.98 1itp h PRO 51 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1itp h PRO 51 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1itp h PRO 51 CO 0.30 0.42 -0.12 0.37 -0.23 0.00 0.00 178.00 178.74 1itp h GLN 52 N 0.00 -0.32 -0.99 0.86 4.15 -1.97 -2.90 115.11 113.93 1itp h GLN 52 Ca -0.00 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.63 1itp h GLN 52 Cb 1.07 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.74 1itp h GLN 52 CO 0.05 -0.21 0.61 0.77 -1.93 0.00 0.00 178.83 178.12 1itp h SER 53 N -1.05 0.73 0.06 -0.69 0.02 -1.97 -2.30 113.55 108.35 1itp h SER 53 Ca -0.03 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1itp h SER 53 Cb 0.26 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1itp h SER 53 CO 0.06 0.26 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.87 1itp h LEU 54 N 0.71 -0.17 -1.69 5.07 3.38 -1.54 -1.08 115.31 119.98 1itp h LEU 54 Ca 0.56 0.01 0.50 0.00 0.09 0.00 0.00 57.88 59.05 1itp h LEU 54 Cb 0.95 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 1itp h LEU 54 CO -0.35 -0.08 1.21 0.41 0.09 0.00 0.00 178.44 179.72 1itp n THR 55 N -2.66 -0.03 0.00 0.22 -1.04 -0.89 0.17 114.28 110.04 1itp n THR 55 Ca -0.02 1.36 0.00 0.00 -2.04 0.00 0.00 64.05 63.35 1itp n THR 55 Cb 0.06 -2.26 0.00 0.00 -1.82 0.00 0.00 70.33 66.31 1itp n THR 55 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1itp n LYS 56 N -3.80 0.00 -0.67 -2.82 0.00 -0.43 -3.35 118.16 107.09 1itp n LYS 56 Ca 0.39 0.26 -0.09 0.00 0.00 0.00 0.00 58.31 58.88 1itp n LYS 56 Cb 1.75 -1.25 0.15 0.00 0.00 0.00 0.00 35.03 35.68 1itp n LYS 56 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1itp n PHE 57 N -1.29 1.64 0.00 5.64 1.16 0.21 -4.32 117.46 120.50 1itp n PHE 57 Ca 0.00 -1.04 0.00 0.00 -1.87 0.00 0.00 57.45 54.54 1itp n PHE 57 Cb 0.00 -0.57 0.00 0.00 -1.61 0.00 0.00 39.48 37.30 1itp n PHE 57 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1itp n GLN 58 N -0.22 0.00 0.27 3.97 6.02 0.44 -4.03 117.38 123.84 1itp n GLN 58 Ca 0.30 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.44 1itp n GLN 58 Cb 1.08 -0.18 0.74 0.00 1.02 0.00 0.00 30.24 32.90 1itp n GLN 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1itp h GLY 59 N 0.00 0.00 1.38 1.08 0.00 -1.79 1.43 103.07 105.16 1itp h GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itp h GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1itp n LEU 60 N -3.06 0.00 -4.08 3.11 7.94 -1.26 -4.85 117.00 114.80 1itp n LEU 60 Ca 0.01 0.19 -0.37 0.00 -1.11 0.00 0.00 56.01 54.73 1itp n LEU 60 Cb 0.50 -0.19 0.06 0.00 0.53 0.00 0.00 43.42 44.32 1itp n LEU 60 CO 0.16 -0.06 -1.52 0.00 -1.11 0.00 0.00 177.39 174.86 1itp n GLN 61 N -1.19 -0.28 -0.96 1.96 6.02 0.49 -2.28 117.38 121.13 1itp n GLN 61 Ca 0.12 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1itp n GLN 61 Cb 0.14 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1itp n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itp n GLY 62 N 3.11 0.20 1.09 1.08 0.00 -0.40 -4.69 105.19 105.57 1itp n GLY 62 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1itp n GLY 62 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1itp n ASP 63 N -0.57 0.44 0.00 1.61 2.03 -0.97 -4.89 116.55 114.20 1itp n ASP 63 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1itp n ASP 63 Cb 0.29 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1itp n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1itp n LEU 64 N -3.20 0.37 -3.95 -2.67 -0.00 -1.26 -4.85 117.00 101.46 1itp n LEU 64 Ca 0.00 -0.37 -0.29 0.00 -0.00 0.00 0.00 56.01 55.35 1itp n LEU 64 Cb 0.27 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.52 1itp n LEU 64 CO 0.00 0.09 -0.45 -0.63 -0.00 0.00 0.00 177.39 176.40 1itp s ILE 65 N -0.01 1.36 -0.04 1.47 -1.09 -1.26 -4.15 121.20 117.49 1itp s ILE 65 Ca 0.00 -0.71 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1itp s ILE 65 Cb 0.00 -1.43 -0.25 0.00 -1.58 0.00 0.00 42.46 39.20 1itp s ILE 65 CO 0.00 0.23 0.68 -0.78 -1.23 0.00 0.00 174.94 173.84 1itp h ASP 66 N 8.07 0.21 -5.01 3.58 3.58 -1.18 -1.05 116.42 124.60 1itp h ASP 66 Ca -0.29 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 56.68 1itp h ASP 66 Cb 1.11 -0.07 -0.19 0.00 1.72 0.00 0.00 39.33 41.91 1itp h ASP 66 CO 0.45 1.33 -0.19 -0.44 -2.88 0.00 0.00 179.24 177.51 1itp s SER 67 N -6.60 -0.24 -0.11 2.28 0.01 -1.23 -4.91 113.70 102.91 1itp s SER 67 Ca -0.10 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 1itp s SER 67 Cb 0.07 0.36 0.05 0.00 0.21 0.00 0.00 66.02 66.72 1itp s SER 67 CO 0.82 -0.54 0.09 -0.51 0.41 0.00 0.00 173.24 173.51 1itp s ILE 68 N -1.80 -0.12 -0.46 1.44 2.07 -1.26 -0.19 121.20 120.87 1itp s ILE 68 Ca -0.10 0.14 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1itp s ILE 68 Cb -0.03 -0.37 0.12 0.00 0.13 0.00 0.00 42.46 42.31 1itp s ILE 68 CO 0.02 -0.04 0.28 -0.70 -1.91 0.00 0.00 174.94 172.59 1itp s GLU 69 N 2.17 2.23 -0.01 3.50 2.12 0.19 -4.98 118.70 123.92 1itp s GLU 69 Ca 0.04 -1.93 -0.27 0.00 0.36 0.00 0.00 54.97 53.17 1itp s GLU 69 Cb -0.14 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1itp s GLU 69 CO -0.06 -1.12 0.83 -1.21 -0.54 0.00 0.00 175.26 173.16 1itp s GLU 70 N 0.99 4.51 -0.05 4.30 8.01 -1.26 -0.33 118.70 134.87 1itp s GLU 70 Ca 0.09 1.15 0.12 0.00 0.01 0.00 0.00 54.97 56.34 1itp s GLU 70 Cb -0.23 -3.43 0.22 0.00 -4.31 0.00 0.00 34.13 26.37 1itp s GLU 70 CO -0.03 0.07 1.10 -3.47 0.01 0.00 0.00 175.26 172.93 1itp n ASP 71 N 3.60 0.92 -4.61 -0.19 -0.08 -0.84 -5.00 116.55 110.35 1itp n ASP 71 Ca 0.02 -2.44 -0.30 0.00 -1.51 0.00 0.00 54.79 50.56 1itp n ASP 71 Cb 0.51 -0.31 -0.09 0.00 2.34 0.00 0.00 41.12 43.57 1itp n ASP 71 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1itp s GLY 72 N -1.89 1.82 0.01 0.27 0.00 -1.22 -4.09 107.32 102.23 1itp s GLY 72 Ca 0.19 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1itp s GLY 72 CO -0.05 -1.21 -0.02 -0.42 0.00 0.00 0.00 173.10 171.40 1itp s ILE 73 N -1.29 0.10 -1.01 0.90 1.01 -1.19 -4.87 121.20 114.84 1itp s ILE 73 Ca 0.23 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1itp s ILE 73 Cb -0.11 -0.21 0.25 0.00 0.01 0.00 0.00 42.46 42.40 1itp s ILE 73 CO 0.15 -0.35 1.00 -0.69 0.00 0.00 0.00 174.94 175.06 1itp s VAL 74 N -1.03 5.79 -0.08 2.92 1.01 -1.26 -4.70 120.40 123.03 1itp s VAL 74 Ca -0.11 -2.99 -0.02 0.00 0.00 0.00 0.00 61.98 58.85 1itp s VAL 74 Cb -0.07 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 1itp s VAL 74 CO -0.01 -1.16 -0.05 0.71 0.00 0.00 0.00 175.10 174.60 1itp h THR 75 N 4.17 0.00 -6.34 3.92 1.35 -1.98 -3.49 112.91 110.54 1itp h THR 75 Ca 0.16 -0.74 -0.32 0.00 -0.55 0.00 0.00 66.41 64.96 1itp h THR 75 Cb 0.94 0.00 0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1itp h THR 75 CO 0.93 0.00 -1.14 0.41 -0.25 0.00 0.00 175.52 175.47 1itp n THR 76 N -4.04 -3.37 0.14 6.82 -1.04 -1.26 -5.32 114.28 106.21 1itp n THR 76 Ca -0.02 0.14 0.02 0.00 -2.04 0.00 0.00 64.05 62.14 1itp n THR 76 Cb 0.07 -3.27 0.01 0.00 -1.82 0.00 0.00 70.33 65.33 1itp n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43