#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 -4.23 -0.01 1.61 7.64 -1.26 -4.66 113.62 112.71 1itp n SER 2 Ca 0.00 0.47 0.02 0.00 1.01 0.00 0.00 58.87 60.37 1itp n SER 2 Cb 0.00 -2.25 -0.12 0.00 -1.01 0.00 0.00 64.21 60.82 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 -2.69 2.16 0.00 -0.43 0.00 -1.08 -4.98 120.51 113.50 1itp n ALA 3 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1itp n ALA 3 Cb 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 1.42 0.24 3.92 0.00 0.00 -1.24 0.13 105.19 109.66 1itp n GLY 4 Ca -0.13 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.00 3.50 0.06 1.61 -2.85 -1.26 -1.55 119.74 117.25 1itp s LYS 5 Ca 0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1itp s LYS 5 Cb 0.00 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 1itp s LYS 5 CO 0.00 0.50 -0.04 -0.06 0.10 0.00 0.00 175.35 175.85 1itp s PHE 6 N -1.69 0.61 -0.30 1.78 0.40 0.79 -2.09 117.98 117.48 1itp s PHE 6 Ca 0.37 -0.98 -0.03 0.00 -0.60 0.00 0.00 56.93 55.69 1itp s PHE 6 Cb -0.12 -0.41 0.10 0.00 0.51 0.00 0.00 43.02 43.10 1itp s PHE 6 CO 0.28 -0.30 0.13 0.42 0.70 0.00 0.00 175.22 176.46 1itp s ILE 7 N -3.61 0.05 0.39 0.64 1.01 -0.92 -2.27 121.20 116.48 1itp s ILE 7 Ca 0.06 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1itp s ILE 7 Cb 0.06 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1itp s ILE 7 CO -0.08 -0.75 0.32 0.68 0.00 0.00 0.00 174.94 175.12 1itp s VAL 8 N 1.95 2.85 0.27 2.92 -7.23 -1.13 -0.24 120.40 119.80 1itp s VAL 8 Ca 0.10 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1itp s VAL 8 Cb -0.17 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1itp s VAL 8 CO -0.32 -0.05 0.19 -0.63 -0.31 0.00 0.00 175.10 173.98 1itp s ILE 9 N -2.44 0.07 0.00 -0.62 1.09 0.28 -2.19 121.20 117.39 1itp s ILE 9 Ca 0.45 -2.00 0.02 0.00 -1.10 0.00 0.00 60.65 58.02 1itp s ILE 9 Cb -0.03 -2.50 -0.01 0.00 -1.06 0.00 0.00 42.46 38.86 1itp s ILE 9 CO 0.27 0.00 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.67 1itp s PHE 10 N -3.76 0.65 1.03 3.97 0.08 0.42 -2.80 117.98 117.57 1itp s PHE 10 Ca 0.39 -0.18 -0.16 0.00 0.12 0.00 0.00 56.93 57.10 1itp s PHE 10 Cb 0.05 -0.41 0.13 0.00 -0.57 0.00 0.00 43.02 42.21 1itp s PHE 10 CO 0.19 -0.02 0.10 0.36 -0.10 0.00 0.00 175.22 175.76 1itp n LYS 11 N 2.65 -1.93 -0.90 0.44 2.85 -1.26 -4.48 118.16 115.53 1itp n LYS 11 Ca -0.15 -0.56 -0.19 0.00 -1.05 0.00 0.00 58.31 56.36 1itp n LYS 11 Cb 0.57 -1.49 0.08 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.98 5.34 0.00 -5.58 2.85 -1.26 -3.87 115.26 111.76 1itp n ASN 12 Ca 0.04 -3.14 0.00 0.00 -0.11 0.00 0.00 54.58 51.36 1itp n ASN 12 Cb 0.44 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.57 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 -0.22 1.50 -4.15 1.20 -0.08 -1.26 -5.07 116.55 108.46 1itp n ASP 13 Ca 0.38 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.27 1itp n ASP 13 Cb 0.88 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.34 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 -2.61 0.31 -2.56 5.18 3.14 -1.25 -4.95 118.33 115.59 1itp n VAL 14 Ca 0.00 -0.49 -0.24 0.00 -2.96 0.00 0.00 64.34 60.65 1itp n VAL 14 Cb 0.40 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.30 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 4.07 -0.08 6.55 1.04 -1.26 -4.95 113.70 118.09 1itp s SER 15 Ca 0.56 -0.44 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 1itp s SER 15 Cb -0.55 0.19 -0.24 0.00 0.10 0.00 0.00 66.02 65.52 1itp s SER 15 CO 0.63 -2.07 0.98 -0.08 0.98 0.00 0.00 173.24 173.67 1itp h GLU 16 N -0.71 0.04 -0.55 4.02 4.81 -1.99 -1.92 114.58 118.29 1itp h GLU 16 Ca -0.35 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1itp h GLU 16 Cb 1.26 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 1itp h GLU 16 CO 0.37 0.83 0.32 -0.44 -0.73 0.00 0.00 179.01 179.35 1itp h ASP 17 N -0.73 0.50 -0.43 1.04 3.32 -1.99 -0.34 116.42 117.79 1itp h ASP 17 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1itp h ASP 17 Cb 0.85 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1itp h ASP 17 CO 0.01 0.35 0.29 0.11 -1.72 0.00 0.00 179.24 178.28 1itp h LYS 18 N 0.63 0.57 0.23 3.56 1.57 -1.96 0.22 116.57 121.39 1itp h LYS 18 Ca 0.23 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1itp h LYS 18 Cb 0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 1itp h LYS 18 CO -0.11 0.38 -0.42 0.82 -0.57 0.00 0.00 179.45 179.54 1itp h ILE 19 N 0.59 0.15 -0.31 1.86 2.04 -0.51 0.39 117.51 121.72 1itp h ILE 19 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1itp h ILE 19 Cb -0.07 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1itp h ILE 19 CO -0.03 0.00 0.21 0.03 0.00 0.00 0.00 178.15 178.36 1itp h ARG 20 N -0.73 0.16 0.32 2.37 3.08 -0.84 -2.70 114.38 116.04 1itp h ARG 20 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1itp h ARG 20 Cb 0.71 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1itp h ARG 20 CO -0.18 0.11 -0.15 0.93 -1.07 0.00 0.00 179.97 179.61 1itp h GLU 21 N 0.17 -0.41 -0.89 0.04 5.08 0.13 -1.16 114.58 117.53 1itp h GLU 21 Ca 0.14 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.83 1itp h GLU 21 Cb 0.34 0.09 -0.16 0.00 0.50 0.00 0.00 28.75 29.52 1itp h GLU 21 CO -0.02 -0.28 0.23 2.41 -1.00 0.00 0.00 179.01 180.35 1itp n THR 22 N -3.54 -0.37 0.23 1.13 -1.04 0.12 0.19 114.28 111.00 1itp n THR 22 Ca -0.05 1.88 -0.15 0.00 -2.04 0.00 0.00 64.05 63.70 1itp n THR 22 Cb 0.17 -2.89 -0.08 0.00 -1.82 0.00 0.00 70.33 65.71 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 -0.55 -0.97 -2.82 1.57 -1.44 -2.20 116.57 110.17 1itp h LYS 23 Ca 0.64 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.52 1itp h LYS 23 Cb 1.51 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.88 1itp h LYS 23 CO -0.77 -0.26 0.63 -0.44 -0.57 0.00 0.00 179.45 178.03 1itp h ASP 24 N -0.78 0.99 -0.90 0.86 5.19 0.22 0.18 116.42 122.16 1itp h ASP 24 Ca -0.06 0.01 0.13 0.00 -0.62 0.00 0.00 57.03 56.49 1itp h ASP 24 Cb 0.54 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 39.77 1itp h ASP 24 CO 0.10 0.63 0.58 -0.08 -3.12 0.00 0.00 179.24 177.35 1itp h GLU 25 N 1.12 0.75 0.20 3.56 4.22 0.24 0.29 114.58 124.96 1itp h GLU 25 Ca 0.42 -0.05 -0.32 0.00 0.08 0.00 0.00 59.36 59.49 1itp h GLU 25 Cb 0.18 -0.17 0.03 0.00 0.50 0.00 0.00 28.75 29.29 1itp h GLU 25 CO -0.16 0.50 -1.38 -0.24 -2.18 0.00 0.00 179.01 175.55 1itp h VAL 26 N 0.78 1.32 -1.00 0.32 3.04 -0.38 0.11 116.25 120.44 1itp h VAL 26 Ca 0.45 -2.71 0.07 0.00 -1.01 0.00 0.00 66.70 63.50 1itp h VAL 26 Cb 0.62 2.94 -0.07 0.00 -2.01 0.00 0.00 31.29 32.77 1itp h VAL 26 CO -0.21 0.81 0.65 0.40 -1.01 0.00 0.00 177.57 178.21 1itp h ILE 27 N 0.17 1.07 0.20 3.17 1.08 0.81 0.71 117.51 124.72 1itp h ILE 27 Ca -0.22 -0.40 -0.30 0.00 -0.39 0.00 0.00 64.86 63.56 1itp h ILE 27 Cb 2.07 -0.19 0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1itp h ILE 27 CO 0.25 0.21 -1.35 0.00 -0.69 0.00 0.00 178.15 176.58 1itp h ALA 28 N 1.46 -0.06 0.28 1.87 0.00 -0.54 -3.38 119.26 118.89 1itp h ALA 28 Ca 0.44 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1itp h ALA 28 Cb 0.20 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1itp h ALA 28 CO -0.18 0.68 -0.16 1.49 0.00 0.00 0.00 179.25 181.07 1itp h GLU 29 N -0.04 -0.40 0.00 0.00 4.81 -0.13 -3.48 114.58 115.35 1itp h GLU 29 Ca -0.25 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1itp h GLU 29 Cb 1.99 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.46 1itp h GLU 29 CO 0.21 -0.27 0.00 0.41 -0.73 0.00 0.00 179.01 178.63 1itp n GLY 30 N -1.21 -1.83 3.09 1.92 0.00 0.24 -5.05 105.19 102.35 1itp n GLY 30 Ca -0.05 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.42 -2.95 3.27 -0.02 0.00 -0.87 -4.73 105.19 98.48 1itp n GLY 31 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.08 0.30 -0.08 2.61 2.01 0.95 -3.07 115.64 116.28 1itp s THR 32 Ca 0.43 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1itp s THR 32 Cb 0.01 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1itp s THR 32 CO 0.67 0.00 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.83 1itp s ILE 33 N -3.89 1.34 -0.08 1.82 -1.09 -1.26 -1.53 121.20 116.51 1itp s ILE 33 Ca 0.38 -0.59 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1itp s ILE 33 Cb 0.07 -1.20 -0.11 0.00 -1.58 0.00 0.00 42.46 39.64 1itp s ILE 33 CO 0.14 0.40 0.04 1.07 -1.23 0.00 0.00 174.94 175.36 1itp n THR 34 N 3.82 0.54 -3.73 2.92 5.66 -1.00 -4.93 114.28 117.56 1itp n THR 34 Ca -0.22 -0.35 -0.10 0.00 -3.05 0.00 0.00 64.05 60.34 1itp n THR 34 Cb 0.52 -0.72 -0.06 0.00 -1.55 0.00 0.00 70.33 68.52 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 -3.98 -0.08 0.26 1.09 -0.87 0.03 -5.01 114.94 106.37 1itp s ASN 35 Ca -0.04 -0.44 0.01 0.00 -1.57 0.00 0.00 52.86 50.82 1itp s ASN 35 Cb 0.03 0.41 -0.05 0.00 -0.02 0.00 0.00 41.25 41.61 1itp s ASN 35 CO 0.35 -0.78 0.10 -1.83 -2.57 0.00 0.00 177.10 172.36 1itp s GLU 36 N -3.71 1.42 -0.29 -0.60 1.03 -1.26 -0.31 118.70 114.98 1itp s GLU 36 Ca 0.03 -1.77 -0.01 0.00 0.03 0.00 0.00 54.97 53.25 1itp s GLU 36 Cb 0.03 -0.26 0.09 0.00 -0.80 0.00 0.00 34.13 33.20 1itp s GLU 36 CO -0.11 -0.30 0.08 0.71 -1.33 0.00 0.00 175.26 174.32 1itp s TYR 37 N -3.75 1.68 -0.77 4.83 2.02 0.11 -4.81 117.35 116.65 1itp s TYR 37 Ca 0.38 -1.65 0.02 0.00 -0.37 0.00 0.00 57.07 55.45 1itp s TYR 37 Cb 0.08 -1.64 0.34 0.00 -0.40 0.00 0.00 41.96 40.34 1itp s TYR 37 CO 0.14 -0.84 1.40 0.09 -1.57 0.00 0.00 175.55 174.77 1itp n ASN 38 N 4.86 5.91 -4.95 2.29 3.02 -1.26 -2.39 115.26 122.74 1itp n ASN 38 Ca -0.03 -3.71 -0.23 0.00 -0.03 0.00 0.00 54.58 50.58 1itp n ASN 38 Cb 0.43 -0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 38.75 1itp n ASN 38 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1itp s MET 39 N -3.88 3.36 -0.74 3.52 -1.94 -0.85 -5.02 119.30 113.77 1itp s MET 39 Ca 0.45 -0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 53.68 1itp s MET 39 Cb 0.27 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.42 1itp s MET 39 CO -0.16 0.10 1.59 -1.25 -0.01 0.00 0.00 175.02 175.29 1itp s PRO 40 N -4.30 2.95 0.00 2.03 0.04 -1.26 -2.15 135.00 132.30 1itp s PRO 40 Ca 0.41 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1itp s PRO 40 Cb -0.10 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1itp s PRO 40 CO 0.35 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1itp n GLY 41 N 5.82 0.76 2.89 0.56 0.00 -1.26 -5.05 105.19 108.91 1itp n GLY 41 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 1.30 -0.62 1.61 0.00 -0.92 -5.01 119.30 115.16 1itp s MET 42 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 55.69 54.57 1itp s MET 42 Cb 0.00 -2.51 0.16 0.00 0.00 0.00 0.00 34.83 32.48 1itp s MET 42 CO 0.00 -0.75 0.42 0.15 0.00 0.00 0.00 175.02 174.84 1itp s LYS 43 N 1.40 2.48 0.07 4.11 1.02 -1.26 -2.00 119.74 125.56 1itp s LYS 43 Ca 0.01 -2.61 0.01 0.00 0.02 0.00 0.00 55.97 53.39 1itp s LYS 43 Cb -0.18 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.47 1itp s LYS 43 CO -0.11 -1.17 0.08 0.41 -0.92 0.00 0.00 175.35 173.64 1itp n GLY 44 N 3.30 3.40 3.47 -3.33 0.00 -1.00 -0.44 105.19 110.59 1itp n GLY 44 Ca 0.08 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.38 -0.48 0.06 1.61 -0.12 -0.93 0.04 117.98 114.77 1itp s PHE 45 Ca 0.07 0.27 0.05 0.00 -0.05 0.00 0.00 56.93 57.27 1itp s PHE 45 Cb 0.00 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1itp s PHE 45 CO 0.05 -0.84 -0.15 0.00 -0.05 0.00 0.00 175.22 174.24 1itp s ALA 46 N -3.67 1.21 0.00 1.99 0.00 0.58 -2.85 121.76 119.03 1itp s ALA 46 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1itp s ALA 46 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1itp s ALA 46 CO -0.11 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1itp n GLY 47 N 1.59 -0.64 3.84 0.00 0.00 -0.96 -0.79 105.19 108.22 1itp n GLY 47 Ca -0.19 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.69 3.63 0.00 1.61 2.56 -0.58 -0.15 118.70 125.08 1itp s GLU 48 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.97 54.82 1itp s GLU 48 Cb 0.00 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.88 1itp s GLU 48 CO 0.00 0.66 0.00 1.28 -0.56 0.00 0.00 175.26 176.64 1itp n LEU 49 N 2.37 0.00 0.00 2.70 4.77 -0.60 -0.03 117.00 126.21 1itp n LEU 49 Ca -0.19 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 1itp n LEU 49 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1itp n LEU 49 CO 0.33 0.00 0.17 0.41 -1.33 0.00 0.00 177.39 176.96 1itp n THR 50 N 0.00 0.00 0.06 -5.08 -1.04 -1.26 -2.63 114.28 104.32 1itp n THR 50 Ca 0.00 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.05 61.42 1itp n THR 50 Cb 0.00 0.39 -0.03 0.00 -1.82 0.00 0.00 70.33 68.87 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 0.44 0.78 -2.82 0.13 -1.99 -2.21 132.00 126.34 1itp h PRO 51 Ca -0.12 -0.43 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 1itp h PRO 51 Cb 0.47 0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.72 1itp h PRO 51 CO 0.16 1.08 -0.38 0.37 -0.23 0.00 0.00 178.00 179.00 1itp h GLN 52 N 0.27 -1.01 -0.60 0.86 4.15 -2.01 -2.81 115.11 113.96 1itp h GLN 52 Ca -0.06 0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1itp h GLN 52 Cb 1.49 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 29.38 1itp h GLN 52 CO 0.15 -0.66 0.40 0.77 -1.93 0.00 0.00 178.83 177.56 1itp h SER 53 N -1.20 0.46 0.00 -0.69 0.02 -1.97 -2.76 113.55 107.40 1itp h SER 53 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1itp h SER 53 Cb 0.82 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1itp h SER 53 CO 0.18 0.29 0.00 0.18 -1.14 0.00 0.00 176.83 176.34 1itp n LEU 54 N -4.48 0.00 -0.61 5.07 4.77 -0.83 -1.25 117.00 119.67 1itp n LEU 54 Ca 0.09 0.49 0.47 0.00 -0.03 0.00 0.00 56.01 57.03 1itp n LEU 54 Cb 0.29 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.13 1itp n LEU 54 CO 0.34 0.00 1.35 0.41 -1.33 0.00 0.00 177.39 178.16 1itp n THR 55 N -0.73 -0.09 -0.10 -5.08 -1.04 -1.08 0.80 114.28 106.96 1itp n THR 55 Ca 0.00 1.55 -0.08 0.00 -2.04 0.00 0.00 64.05 63.48 1itp n THR 55 Cb 0.00 -2.56 -0.06 0.00 -1.82 0.00 0.00 70.33 65.89 1itp n THR 55 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1itp h LYS 56 N 0.00 -0.20 0.00 -2.82 3.11 -0.88 0.72 116.57 116.50 1itp h LYS 56 Ca 0.89 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.75 1itp h LYS 56 Cb 3.35 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 34.62 1itp h LYS 56 CO -0.17 -0.13 -0.86 1.97 -2.81 0.00 0.00 179.45 177.45 1itp n PHE 57 N -4.30 0.20 0.02 1.91 1.16 0.66 -3.91 117.46 113.21 1itp n PHE 57 Ca -0.02 0.06 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 1itp n PHE 57 Cb 0.20 -0.37 0.02 0.00 -1.61 0.00 0.00 39.48 37.72 1itp n PHE 57 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 1itp h GLN 58 N 0.00 0.53 -0.07 3.97 1.08 0.97 0.66 115.11 122.25 1itp h GLN 58 Ca 0.00 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1itp h GLN 58 Cb 0.65 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 1itp h GLN 58 CO 0.00 1.03 -0.11 0.78 -0.95 0.00 0.00 178.83 179.58 1itp h GLY 59 N 1.07 0.21 0.63 3.46 0.00 0.30 -3.01 103.07 105.73 1itp h GLY 59 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1itp h GLY 59 CO 0.13 0.22 -0.08 1.47 0.00 0.00 0.00 176.54 178.27 1itp n LEU 60 N -4.65 0.62 -3.97 3.11 -0.00 -1.23 -4.93 117.00 105.94 1itp n LEU 60 Ca -0.08 -0.10 -0.36 0.00 -0.00 0.00 0.00 56.01 55.47 1itp n LEU 60 Cb 0.35 -0.12 0.03 0.00 -0.00 0.00 0.00 43.42 43.68 1itp n LEU 60 CO 0.37 0.11 -1.02 1.67 -0.00 0.00 0.00 177.39 178.52 1itp n GLN 61 N -0.74 0.00 0.00 1.47 7.27 0.23 -2.25 117.38 123.35 1itp n GLN 61 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1itp n GLN 61 Cb 0.27 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 31.95 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 2.99 2.96 0.10 1.69 0.00 -0.89 -4.75 105.19 107.29 1itp n GLY 62 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.83 -0.07 1.61 2.03 -0.96 -4.64 116.55 115.36 1itp n ASP 63 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1itp n ASP 63 Cb 0.00 0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 -2.88 0.00 -3.79 -2.67 -0.00 -1.26 -4.86 117.00 101.54 1itp n LEU 64 Ca -0.35 -0.16 -0.29 0.00 -0.00 0.00 0.00 56.01 55.21 1itp n LEU 64 Cb 1.08 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 44.34 1itp n LEU 64 CO 0.36 0.06 -0.38 -0.63 -0.00 0.00 0.00 177.39 176.80 1itp s ILE 65 N 0.00 0.84 0.02 1.47 -1.09 -1.26 -4.28 121.20 116.90 1itp s ILE 65 Ca 0.00 -0.86 -0.06 0.00 -2.23 0.00 0.00 60.65 57.50 1itp s ILE 65 Cb 0.00 -1.33 -0.29 0.00 -1.58 0.00 0.00 42.46 39.26 1itp s ILE 65 CO 0.00 -0.25 0.93 -0.78 -1.23 0.00 0.00 174.94 173.61 1itp h ASP 66 N 8.14 0.49 -5.02 3.58 3.58 -1.77 -2.36 116.42 123.07 1itp h ASP 66 Ca -0.16 -0.61 -0.09 0.00 0.42 0.00 0.00 57.03 56.59 1itp h ASP 66 Cb 1.09 -0.16 -0.18 0.00 1.72 0.00 0.00 39.33 41.80 1itp h ASP 66 CO 0.38 1.49 -0.17 -0.44 -2.88 0.00 0.00 179.24 177.62 1itp s SER 67 N -7.14 -0.25 -0.03 2.28 0.01 -1.26 -4.98 113.70 102.34 1itp s SER 67 Ca -0.08 0.06 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 1itp s SER 67 Cb 0.06 0.38 0.03 0.00 0.21 0.00 0.00 66.02 66.70 1itp s SER 67 CO 0.87 -0.56 0.03 -0.51 0.41 0.00 0.00 173.24 173.48 1itp s ILE 68 N -1.92 -0.02 -0.60 1.44 2.07 -1.26 -0.56 121.20 120.35 1itp s ILE 68 Ca -0.09 0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.45 1itp s ILE 68 Cb -0.02 -0.14 0.20 0.00 0.13 0.00 0.00 42.46 42.62 1itp s ILE 68 CO 0.01 0.12 0.53 1.21 -1.91 0.00 0.00 174.94 174.90 1itp n GLU 69 N 4.46 1.55 -2.04 3.50 2.13 0.67 -4.99 120.64 125.90 1itp n GLU 69 Ca -0.22 -4.13 -0.41 0.00 0.66 0.00 0.00 57.16 53.06 1itp n GLU 69 Cb 0.50 -2.04 -0.02 0.00 0.27 0.00 0.00 31.44 30.14 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 -1.37 4.28 -0.04 5.31 2.02 -1.26 -2.17 118.70 125.48 1itp s GLU 70 Ca 0.31 2.26 0.05 0.00 0.02 0.00 0.00 54.97 57.61 1itp s GLU 70 Cb 0.04 -3.13 0.08 0.00 0.10 0.00 0.00 34.13 31.22 1itp s GLU 70 CO -0.13 -0.41 0.94 -3.47 0.02 0.00 0.00 175.26 172.21 1itp n ASP 71 N 2.51 0.90 -4.80 -0.19 2.03 -0.89 -4.96 116.55 111.15 1itp n ASP 71 Ca 0.07 -2.10 -0.36 0.00 0.52 0.00 0.00 54.79 52.92 1itp n ASP 71 Cb 0.41 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.55 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 -1.31 2.69 -0.09 0.27 0.00 -1.11 -4.16 107.32 103.61 1itp s GLY 72 Ca 0.09 0.31 -0.27 0.00 0.00 0.00 0.00 44.72 44.85 1itp s GLY 72 CO 0.01 0.70 0.85 -1.50 0.00 0.00 0.00 173.10 173.16 1itp s ILE 73 N -1.57 4.92 -0.39 0.90 2.07 0.34 -4.88 121.20 122.59 1itp s ILE 73 Ca 0.46 1.74 0.04 0.00 -1.41 0.00 0.00 60.65 61.48 1itp s ILE 73 Cb -0.17 -4.18 0.11 0.00 0.13 0.00 0.00 42.46 38.35 1itp s ILE 73 CO 0.22 0.13 0.10 -0.69 -1.91 0.00 0.00 174.94 172.79 1itp s VAL 74 N 1.43 2.36 0.10 4.00 1.01 -1.26 -4.73 120.40 123.31 1itp s VAL 74 Ca 0.43 -2.61 0.00 0.00 0.00 0.00 0.00 61.98 59.80 1itp s VAL 74 Cb -0.18 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1itp s VAL 74 CO 0.19 -0.65 0.00 0.41 0.00 0.00 0.00 175.10 175.05 1itp n THR 75 N 3.95 -8.73 0.00 3.92 -1.04 -1.26 -4.85 114.28 106.27 1itp n THR 75 Ca 0.04 1.97 0.00 0.00 -2.04 0.00 0.00 64.05 64.02 1itp n THR 75 Cb 0.39 -4.20 0.00 0.00 -1.82 0.00 0.00 70.33 64.70 1itp n THR 75 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1itp n THR 76 N 1.10 0.00 1.67 12.58 -1.04 -1.26 -5.28 114.28 122.04 1itp n THR 76 Ca 0.00 1.14 0.15 0.00 -2.04 0.00 0.00 64.05 63.29 1itp n THR 76 Cb 0.00 -1.60 0.67 0.00 -1.82 0.00 0.00 70.33 67.58 1itp n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10