#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 0.00 -1.58 1.61 7.64 -1.26 -4.81 113.62 115.22 1itp n SER 2 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1itp n SER 2 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 1itp n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itp n ALA 3 N -3.00 3.91 0.00 -0.43 0.00 -1.00 -4.97 120.51 115.01 1itp n ALA 3 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.92 1itp n ALA 3 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.05 -0.60 3.79 0.00 0.00 -1.26 0.20 105.19 107.26 1itp n GLY 4 Ca 0.27 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 1itp n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itp s LYS 5 N -0.24 3.08 0.24 1.61 1.02 -1.26 -2.17 119.74 122.01 1itp s LYS 5 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.56 1itp s LYS 5 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1itp s LYS 5 CO 0.00 0.65 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.98 1itp s PHE 6 N -1.20 1.66 -0.27 3.18 0.40 0.51 -2.92 117.98 119.35 1itp s PHE 6 Ca 0.23 -0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1itp s PHE 6 Cb -0.12 -0.94 0.09 0.00 0.51 0.00 0.00 43.02 42.57 1itp s PHE 6 CO 0.14 0.10 0.12 0.42 0.70 0.00 0.00 175.22 176.70 1itp s ILE 7 N -3.25 -0.03 0.19 0.64 1.01 -0.90 -2.43 121.20 116.43 1itp s ILE 7 Ca 0.27 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1itp s ILE 7 Cb 0.04 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1itp s ILE 7 CO 0.09 -0.66 0.01 0.68 0.00 0.00 0.00 174.94 175.05 1itp s VAL 8 N 2.08 3.70 0.29 2.92 -7.23 -1.15 0.02 120.40 121.03 1itp s VAL 8 Ca 0.08 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 1itp s VAL 8 Cb -0.16 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 1itp s VAL 8 CO -0.32 -0.16 0.08 -0.63 -0.31 0.00 0.00 175.10 173.75 1itp s ILE 9 N -1.84 0.79 0.00 -0.62 1.09 0.36 -2.09 121.20 118.89 1itp s ILE 9 Ca 0.28 -2.00 0.04 0.00 -1.10 0.00 0.00 60.65 57.87 1itp s ILE 9 Cb -0.09 -2.69 -0.01 0.00 -1.06 0.00 0.00 42.46 38.61 1itp s ILE 9 CO 0.19 0.00 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.54 1itp s PHE 10 N -3.57 1.16 1.12 3.97 0.08 0.58 -1.35 117.98 119.97 1itp s PHE 10 Ca 0.37 -0.25 -0.17 0.00 0.12 0.00 0.00 56.93 57.00 1itp s PHE 10 Cb 0.08 -0.73 0.17 0.00 -0.57 0.00 0.00 43.02 41.97 1itp s PHE 10 CO 0.14 -0.01 0.27 0.36 -0.10 0.00 0.00 175.22 175.89 1itp n LYS 11 N 2.57 -2.35 -0.91 0.44 2.85 -1.26 -4.49 118.16 115.01 1itp n LYS 11 Ca -0.15 -0.69 -0.19 0.00 -1.05 0.00 0.00 58.31 56.24 1itp n LYS 11 Cb 0.55 -1.64 0.07 0.00 -0.65 0.00 0.00 35.03 33.37 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 -2.09 5.66 0.00 -5.58 5.15 -1.26 -3.82 115.26 113.33 1itp n ASN 12 Ca 0.04 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 1itp n ASN 12 Cb 0.50 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1itp n ASN 12 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1itp n ASP 13 N -0.13 2.10 -4.13 1.20 -0.08 -1.26 -5.07 116.55 109.17 1itp n ASP 13 Ca 0.37 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.28 1itp n ASP 13 Cb 0.80 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.28 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 -2.45 0.00 -2.84 5.18 3.14 -1.25 -4.93 118.33 115.18 1itp n VAL 14 Ca 0.00 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.64 1itp n VAL 14 Cb 0.38 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.17 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 -0.99 5.90 0.09 6.55 1.04 -1.26 -4.96 113.70 120.06 1itp s SER 15 Ca 0.51 0.50 -0.19 0.00 0.48 0.00 0.00 55.95 57.26 1itp s SER 15 Cb -0.39 -1.74 -0.08 0.00 0.10 0.00 0.00 66.02 63.91 1itp s SER 15 CO 0.71 -0.72 1.56 -0.08 0.98 0.00 0.00 173.24 175.69 1itp h GLU 16 N 0.28 0.41 -0.88 4.02 4.57 -1.99 -0.63 114.58 120.36 1itp h GLU 16 Ca -0.46 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1itp h GLU 16 Cb 1.24 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1itp h GLU 16 CO 0.59 0.54 0.53 0.22 -1.18 0.00 0.00 179.01 179.72 1itp h ASP 17 N 0.22 1.05 -0.39 1.04 1.82 -1.99 -1.32 116.42 116.86 1itp h ASP 17 Ca 0.07 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1itp h ASP 17 Cb 0.33 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 1itp h ASP 17 CO 0.01 0.81 0.24 0.11 -1.61 0.00 0.00 179.24 178.79 1itp h LYS 18 N 1.21 0.52 0.37 0.28 1.57 -1.90 0.18 116.57 118.81 1itp h LYS 18 Ca 0.32 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1itp h LYS 18 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1itp h LYS 18 CO -0.06 0.39 -0.47 0.82 -0.57 0.00 0.00 179.45 179.56 1itp h ILE 19 N 0.51 0.08 -0.42 1.86 2.04 -0.44 0.41 117.51 121.55 1itp h ILE 19 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 1itp h ILE 19 Cb -0.00 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 1itp h ILE 19 CO -0.03 0.00 0.29 0.03 0.00 0.00 0.00 178.15 178.45 1itp h ARG 20 N -0.88 0.09 0.14 2.37 3.08 -1.08 -2.04 114.38 116.05 1itp h ARG 20 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1itp h ARG 20 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1itp h ARG 20 CO -0.12 0.06 -0.07 0.93 -1.07 0.00 0.00 179.97 179.70 1itp h GLU 21 N 0.09 -0.18 -1.42 0.04 5.08 0.99 -1.39 114.58 117.79 1itp h GLU 21 Ca 0.20 0.01 0.47 0.00 -1.00 0.00 0.00 59.36 59.03 1itp h GLU 21 Cb 0.66 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1itp h GLU 21 CO -0.02 -0.12 0.93 1.15 -1.00 0.00 0.00 179.01 179.95 1itp h THR 22 N -0.28 0.07 0.31 1.13 2.02 -0.04 1.80 112.91 117.91 1itp h THR 22 Ca -0.02 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1itp h THR 22 Cb 0.15 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1itp h THR 22 CO 0.03 0.01 -0.15 0.11 0.37 0.00 0.00 175.52 175.89 1itp h LYS 23 N 0.04 -0.40 -0.78 6.66 1.57 -1.33 -2.43 116.57 119.91 1itp h LYS 23 Ca 0.86 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.62 1itp h LYS 23 Cb 2.81 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 35.17 1itp h LYS 23 CO -0.39 -0.07 0.32 -0.44 -0.57 0.00 0.00 179.45 178.30 1itp h ASP 24 N -0.81 1.06 -0.86 0.86 3.32 0.17 -1.84 116.42 118.32 1itp h ASP 24 Ca -0.04 -0.17 0.18 0.00 0.02 0.00 0.00 57.03 57.02 1itp h ASP 24 Cb 0.51 -0.27 -0.11 0.00 0.22 0.00 0.00 39.33 39.68 1itp h ASP 24 CO 0.07 0.94 0.41 -0.33 -1.72 0.00 0.00 179.24 178.61 1itp h GLU 25 N 1.12 0.51 -0.33 3.56 5.08 0.23 0.27 114.58 125.02 1itp h GLU 25 Ca 0.26 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.42 1itp h GLU 25 Cb 0.20 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1itp h GLU 25 CO -0.02 0.33 -0.46 -0.24 -1.00 0.00 0.00 179.01 177.62 1itp h VAL 26 N 0.52 1.28 0.16 3.13 3.04 -0.91 0.18 116.25 123.64 1itp h VAL 26 Ca 0.50 -1.64 0.02 0.00 -1.01 0.00 0.00 66.70 64.57 1itp h VAL 26 Cb 0.82 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 1itp h VAL 26 CO -0.43 0.54 -0.30 0.40 -1.01 0.00 0.00 177.57 176.76 1itp h ILE 27 N 0.69 0.35 -0.31 3.17 1.08 0.15 1.57 117.51 124.21 1itp h ILE 27 Ca 0.04 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.43 1itp h ILE 27 Cb 1.06 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1itp h ILE 27 CO 0.11 0.00 -0.14 0.00 -0.69 0.00 0.00 178.15 177.42 1itp h ALA 28 N 0.10 1.17 -0.84 1.87 0.00 -0.63 -3.30 119.26 117.65 1itp h ALA 28 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1itp h ALA 28 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1itp h ALA 28 CO -0.15 0.53 0.00 -1.91 0.00 0.00 0.00 179.25 177.71 1itp n GLU 29 N -4.18 0.00 0.00 0.00 4.07 0.63 -5.01 120.64 116.15 1itp n GLU 29 Ca 0.01 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 1itp n GLU 29 Cb 0.35 -1.20 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 1itp n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1itp n GLY 30 N 0.09 -1.90 3.05 8.31 0.00 0.53 -5.05 105.19 110.21 1itp n GLY 30 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.50 -3.68 3.31 -0.02 0.00 -1.04 -4.68 105.19 97.58 1itp n GLY 31 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.04 0.24 -0.06 2.61 2.01 0.21 -3.02 115.64 115.59 1itp s THR 32 Ca 0.41 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.42 1itp s THR 32 Cb -0.06 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.95 1itp s THR 32 CO 0.74 0.00 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.96 1itp s ILE 33 N -3.67 0.83 -0.07 1.82 1.01 -1.26 -1.67 121.20 118.19 1itp s ILE 33 Ca 0.37 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1itp s ILE 33 Cb 0.05 -0.81 -0.08 0.00 0.01 0.00 0.00 42.46 41.64 1itp s ILE 33 CO 0.18 0.29 0.01 1.07 0.00 0.00 0.00 174.94 176.49 1itp n THR 34 N 4.05 0.45 -3.48 2.92 5.66 -1.02 -4.97 114.28 117.89 1itp n THR 34 Ca -0.23 -0.26 -0.16 0.00 -3.05 0.00 0.00 64.05 60.35 1itp n THR 34 Cb 0.51 -0.82 -0.12 0.00 -1.55 0.00 0.00 70.33 68.35 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 -3.94 1.01 0.43 1.09 0.01 -0.82 -5.07 114.94 107.65 1itp s ASN 35 Ca -0.04 -0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.12 1itp s ASN 35 Cb 0.02 0.58 0.01 0.00 0.41 0.00 0.00 41.25 42.26 1itp s ASN 35 CO 0.26 -0.31 0.61 -1.83 -1.51 0.00 0.00 177.10 174.32 1itp s GLU 36 N 2.38 2.93 -0.58 -0.60 1.03 -1.26 -0.00 118.70 122.60 1itp s GLU 36 Ca 0.07 -0.85 0.04 0.00 0.03 0.00 0.00 54.97 54.27 1itp s GLU 36 Cb -0.15 -2.66 0.14 0.00 -0.80 0.00 0.00 34.13 30.66 1itp s GLU 36 CO -0.12 -0.26 0.34 0.71 -1.33 0.00 0.00 175.26 174.60 1itp s TYR 37 N -2.44 3.24 -1.19 4.83 2.02 0.12 -4.86 117.35 119.06 1itp s TYR 37 Ca 0.50 -3.19 -0.10 0.00 -0.37 0.00 0.00 57.07 53.91 1itp s TYR 37 Cb -0.10 -2.72 0.21 0.00 -0.40 0.00 0.00 41.96 38.95 1itp s TYR 37 CO 0.35 -0.68 1.51 0.27 -1.57 0.00 0.00 175.55 175.43 1itp n ASN 38 N 2.74 5.42 -4.69 2.29 0.23 -1.26 -2.63 115.26 117.36 1itp n ASN 38 Ca 0.10 -3.09 -0.27 0.00 -0.53 0.00 0.00 54.58 50.80 1itp n ASN 38 Cb 0.33 -1.46 -0.09 0.00 -2.08 0.00 0.00 39.78 36.48 1itp n ASN 38 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1itp s MET 39 N 0.05 2.11 -0.05 -3.83 -1.94 -0.62 -5.06 119.30 109.96 1itp s MET 39 Ca 0.38 -2.00 -0.08 0.00 -1.71 0.00 0.00 55.69 52.28 1itp s MET 39 Cb 0.00 -1.81 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1itp s MET 39 CO 0.00 -0.12 0.37 -1.00 -0.01 0.00 0.00 175.02 174.26 1itp h PRO 40 N 1.55 -0.27 -0.00 2.03 0.13 -2.04 -3.31 132.00 130.10 1itp h PRO 40 Ca -0.43 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1itp h PRO 40 Cb 1.25 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1itp h PRO 40 CO 0.75 -0.18 -0.00 0.41 -0.23 0.00 0.00 178.00 178.75 1itp n GLY 41 N 0.97 -1.07 2.99 1.56 0.00 -1.26 -4.72 105.19 103.66 1itp n GLY 41 Ca -0.03 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.18 1.08 -0.37 1.61 1.75 -1.25 -5.09 119.30 114.86 1itp s MET 42 Ca 0.42 -0.29 0.02 0.00 -1.25 0.00 0.00 55.69 54.58 1itp s MET 42 Cb 0.21 -0.98 0.15 0.00 2.84 0.00 0.00 34.83 37.05 1itp s MET 42 CO 0.40 0.06 0.28 0.15 -0.65 0.00 0.00 175.02 175.27 1itp s LYS 43 N 0.41 0.63 0.00 4.11 1.02 -1.26 -1.60 119.74 123.05 1itp s LYS 43 Ca -0.07 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1itp s LYS 43 Cb -0.11 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1itp s LYS 43 CO 0.01 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 1itp n GLY 44 N 3.93 2.62 3.42 -3.33 0.00 -1.08 -0.31 105.19 110.44 1itp n GLY 44 Ca 0.14 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -6.68 -0.54 -0.03 1.61 -0.71 -0.89 0.13 117.98 110.87 1itp s PHE 45 Ca 0.00 0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.28 1itp s PHE 45 Cb 0.00 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 1itp s PHE 45 CO 0.00 -0.84 -0.11 0.00 -1.34 0.00 0.00 175.22 172.93 1itp s ALA 46 N -3.65 1.04 0.00 1.99 0.00 0.99 -2.93 121.76 119.21 1itp s ALA 46 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1itp s ALA 46 Cb -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1itp s ALA 46 CO -0.12 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1itp n GLY 47 N 3.21 1.54 3.59 0.00 0.00 -1.02 -1.94 105.19 110.57 1itp n GLY 47 Ca -0.18 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1itp n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1itp s GLU 48 N 1.60 3.94 0.00 1.61 0.41 -0.67 -0.36 118.70 125.23 1itp s GLU 48 Ca 0.00 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.23 1itp s GLU 48 Cb 0.00 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 1itp s GLU 48 CO 0.00 -0.11 0.00 1.28 -0.49 0.00 0.00 175.26 175.94 1itp n LEU 49 N 4.82 0.00 0.00 1.80 4.32 -0.92 0.67 117.00 127.69 1itp n LEU 49 Ca -0.15 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.77 1itp n LEU 49 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 1itp n LEU 49 CO 0.33 0.00 0.23 0.41 -1.22 0.00 0.00 177.39 177.14 1itp n THR 50 N 0.00 0.00 0.14 -5.08 -1.04 -1.26 -2.39 114.28 104.65 1itp n THR 50 Ca 0.00 -0.84 0.01 0.00 -2.04 0.00 0.00 64.05 61.18 1itp n THR 50 Cb 0.00 0.64 0.15 0.00 -1.82 0.00 0.00 70.33 69.30 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 0.43 -2.82 0.13 -1.99 -2.74 132.00 125.00 1itp h PRO 51 Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1itp h PRO 51 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1itp h PRO 51 CO 0.25 0.59 -0.21 0.37 -0.23 0.00 0.00 178.00 178.77 1itp h GLN 52 N 0.00 -0.56 -1.01 0.86 4.15 -2.00 -2.88 115.11 113.68 1itp h GLN 52 Ca -0.01 0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.66 1itp h GLN 52 Cb 1.20 0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.90 1itp h GLN 52 CO 0.08 -0.37 0.61 0.77 -1.93 0.00 0.00 178.83 177.98 1itp h SER 53 N -1.05 0.75 0.00 -0.69 0.02 -1.97 -2.35 113.55 108.26 1itp h SER 53 Ca -0.06 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1itp h SER 53 Cb 0.44 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1itp h SER 53 CO 0.10 0.22 0.00 0.18 -1.14 0.00 0.00 176.83 176.19 1itp n LEU 54 N -4.80 0.00 -0.58 5.07 4.77 -1.03 -0.85 117.00 119.57 1itp n LEU 54 Ca 0.25 0.95 0.44 0.00 -0.03 0.00 0.00 56.01 57.62 1itp n LEU 54 Cb 0.63 -0.45 0.69 0.00 -2.33 0.00 0.00 43.42 41.96 1itp n LEU 54 CO 0.20 -0.45 1.24 0.41 -1.33 0.00 0.00 177.39 177.46 1itp n THR 55 N -2.23 -0.03 0.00 -5.08 -1.04 -0.91 0.22 114.28 105.21 1itp n THR 55 Ca 0.00 1.31 0.00 0.00 -2.04 0.00 0.00 64.05 63.32 1itp n THR 55 Cb 0.00 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 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 -3.74 0.00 -0.50 -2.82 0.00 -0.03 -2.84 118.16 108.24 1itp n LYS 56 Ca 0.38 0.47 0.05 0.00 0.00 0.00 0.00 58.31 59.22 1itp n LYS 56 Cb 1.68 -1.43 0.25 0.00 0.00 0.00 0.00 35.03 35.53 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 -1.87 1.18 -0.06 5.64 1.16 0.78 -3.88 117.46 120.41 1itp n PHE 57 Ca 0.00 -0.44 -0.22 0.00 -1.87 0.00 0.00 57.45 54.93 1itp n PHE 57 Cb 0.00 -0.27 -0.13 0.00 -1.61 0.00 0.00 39.48 37.47 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 0.55 0.65 0.10 3.97 6.02 0.59 -2.44 117.38 126.83 1itp n GLN 58 Ca 0.18 0.44 -0.16 0.00 -0.01 0.00 0.00 57.00 57.44 1itp n GLN 58 Cb 0.75 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.09 0.36 1.93 1.08 0.00 -1.67 -3.20 103.07 101.49 1itp h GLY 59 Ca -0.39 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.08 1itp h GLY 59 CO -0.08 0.76 -0.07 -2.00 0.00 0.00 0.00 176.54 175.14 1itp h LEU 60 N 0.11 0.00 -8.59 3.11 5.85 -1.76 -3.47 115.31 110.56 1itp h LEU 60 Ca -0.13 -0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.00 1itp h LEU 60 Cb 1.92 0.00 0.16 0.00 0.37 0.00 0.00 40.66 43.10 1itp h LEU 60 CO 0.20 0.00 -0.96 1.67 -0.34 0.00 0.00 178.44 179.01 1itp n GLN 61 N -3.07 0.00 0.00 1.25 7.27 -1.02 -2.83 117.38 118.98 1itp n GLN 61 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1itp n GLN 61 Cb 0.53 -0.95 0.00 0.00 2.41 0.00 0.00 30.24 32.23 1itp n GLN 61 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1itp n GLY 62 N 2.28 2.88 0.05 1.69 0.00 -0.53 -4.81 105.19 106.74 1itp n GLY 62 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 2.17 0.00 1.61 2.03 -1.13 -4.65 116.55 116.58 1itp n ASP 63 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1itp n ASP 63 Cb 0.00 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 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 -2.32 0.30 -3.77 -2.67 -0.00 -1.26 -4.70 117.00 102.59 1itp n LEU 64 Ca -0.15 -0.30 -0.24 0.00 -0.00 0.00 0.00 56.01 55.32 1itp n LEU 64 Cb 0.75 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 44.00 1itp n LEU 64 CO 0.25 0.08 -0.38 -0.63 -0.00 0.00 0.00 177.39 176.70 1itp s ILE 65 N -0.11 0.41 -0.10 1.47 -1.09 -1.26 -4.35 121.20 116.16 1itp s ILE 65 Ca 0.00 0.00 -0.24 0.00 -2.23 0.00 0.00 60.65 58.18 1itp s ILE 65 Cb 0.00 -0.62 -0.28 0.00 -1.58 0.00 0.00 42.46 39.98 1itp s ILE 65 CO 0.00 0.18 0.75 -0.78 -1.23 0.00 0.00 174.94 173.86 1itp h ASP 66 N 8.31 0.24 -5.08 3.58 3.58 -1.44 -1.39 116.42 124.21 1itp h ASP 66 Ca -0.19 -0.93 -0.12 0.00 0.42 0.00 0.00 57.03 56.21 1itp h ASP 66 Cb 1.12 -0.08 -0.18 0.00 1.72 0.00 0.00 39.33 41.92 1itp h ASP 66 CO 0.28 1.27 -0.48 -0.44 -2.88 0.00 0.00 179.24 176.99 1itp s SER 67 N -6.67 0.13 -0.12 2.28 0.01 -1.24 -4.91 113.70 103.17 1itp s SER 67 Ca -0.18 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1itp s SER 67 Cb 0.00 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.52 1itp s SER 67 CO 0.75 -0.52 0.01 -0.51 0.41 0.00 0.00 173.24 173.38 1itp s ILE 68 N -2.60 0.45 -0.81 1.44 2.07 -1.26 -0.49 121.20 120.01 1itp s ILE 68 Ca -0.05 -0.16 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 1itp s ILE 68 Cb -0.01 -0.75 0.25 0.00 0.13 0.00 0.00 42.46 42.08 1itp s ILE 68 CO -0.04 0.08 0.90 1.21 -1.91 0.00 0.00 174.94 175.17 1itp n GLU 69 N 5.10 2.94 -2.09 3.50 2.13 0.10 -5.00 120.64 127.33 1itp n GLU 69 Ca -0.08 -4.59 -0.42 0.00 0.66 0.00 0.00 57.16 52.73 1itp n GLU 69 Cb 0.49 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.82 1itp n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1itp s GLU 70 N -2.21 4.30 -0.05 5.31 2.02 -1.26 -2.12 118.70 124.69 1itp s GLU 70 Ca 0.34 2.19 0.20 0.00 0.02 0.00 0.00 54.97 57.71 1itp s GLU 70 Cb 0.06 -3.18 0.38 0.00 0.10 0.00 0.00 34.13 31.49 1itp s GLU 70 CO -0.03 -0.43 1.16 -3.47 0.02 0.00 0.00 175.26 172.52 1itp n ASP 71 N 3.25 1.09 -4.77 -0.19 2.03 -1.15 -4.97 116.55 111.85 1itp n ASP 71 Ca 0.10 -2.44 -0.39 0.00 0.52 0.00 0.00 54.79 52.58 1itp n ASP 71 Cb 0.41 -0.34 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 1itp n ASP 71 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1itp s GLY 72 N -2.19 2.96 0.06 0.27 0.00 -1.23 -4.09 107.32 103.09 1itp s GLY 72 Ca 0.31 0.74 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 1itp s GLY 72 CO -0.12 1.27 0.20 -0.42 0.00 0.00 0.00 173.10 174.03 1itp s ILE 73 N -1.35 0.12 -0.73 0.90 1.09 0.53 -4.91 121.20 116.85 1itp s ILE 73 Ca 0.48 -0.97 0.04 0.00 -1.10 0.00 0.00 60.65 59.10 1itp s ILE 73 Cb -0.26 -1.05 0.26 0.00 -1.06 0.00 0.00 42.46 40.34 1itp s ILE 73 CO 0.33 -0.53 0.89 0.52 -0.10 0.00 0.00 174.94 176.05 1itp n VAL 74 N 0.43 2.96 -3.64 2.92 0.31 -1.26 -4.11 118.33 115.94 1itp n VAL 74 Ca -0.18 -5.36 -0.04 0.00 -0.01 0.00 0.00 64.34 58.75 1itp n VAL 74 Cb 0.60 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.37 1itp n VAL 74 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1itp s THR 75 N -2.53 0.00 0.40 2.52 -1.32 -1.26 -5.15 115.64 108.30 1itp s THR 75 Ca 0.38 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.60 1itp s THR 75 Cb 0.13 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 70.01 1itp s THR 75 CO 0.01 0.00 1.15 0.41 -2.21 0.00 0.00 174.62 173.98 1itp n THR 76 N 1.45 2.39 0.67 5.08 -1.04 -1.26 -5.12 114.28 116.45 1itp n THR 76 Ca -0.09 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.50 1itp n THR 76 Cb 0.57 -1.36 0.07 0.00 -1.82 0.00 0.00 70.33 67.79 1itp n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43