#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 -4.99 0.03 1.61 3.41 -1.26 -4.87 113.62 107.55 1itp n SER 2 Ca 0.00 0.36 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 1itp n SER 2 Cb 0.00 -0.82 0.02 0.00 -0.26 0.00 0.00 64.21 63.15 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 -2.19 3.29 0.00 7.33 0.00 -1.06 -5.04 120.51 122.83 1itp n ALA 3 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1itp n ALA 3 Cb 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.35 -0.47 3.89 0.00 0.00 -1.23 -0.67 105.19 108.06 1itp n GLY 4 Ca 0.02 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1itp n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1itp s LYS 5 N -2.00 3.44 0.25 1.61 2.20 -1.26 -1.63 119.74 122.36 1itp s LYS 5 Ca 0.00 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1itp s LYS 5 Cb 0.00 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1itp s LYS 5 CO 0.00 0.73 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.66 1itp s PHE 6 N -1.16 1.68 -0.24 4.03 0.40 0.46 -2.90 117.98 120.25 1itp s PHE 6 Ca 0.20 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1itp s PHE 6 Cb -0.12 -0.98 0.08 0.00 0.51 0.00 0.00 43.02 42.50 1itp s PHE 6 CO 0.10 0.02 0.10 0.42 0.70 0.00 0.00 175.22 176.57 1itp s ILE 7 N -3.33 0.11 0.34 0.64 1.01 -0.93 -2.36 121.20 116.68 1itp s ILE 7 Ca 0.30 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1itp s ILE 7 Cb 0.06 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1itp s ILE 7 CO 0.10 -0.50 0.16 0.68 0.00 0.00 0.00 174.94 175.38 1itp s VAL 8 N 2.03 3.03 0.24 2.92 -7.23 -1.06 -0.08 120.40 120.25 1itp s VAL 8 Ca 0.05 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1itp s VAL 8 Cb -0.16 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1itp s VAL 8 CO -0.22 -0.17 0.14 -0.63 -0.31 0.00 0.00 175.10 173.90 1itp s ILE 9 N -2.42 0.19 -0.01 -0.62 1.09 0.06 -1.75 121.20 117.74 1itp s ILE 9 Ca 0.38 -2.00 0.04 0.00 -1.10 0.00 0.00 60.65 57.97 1itp s ILE 9 Cb -0.03 -2.54 -0.01 0.00 -1.06 0.00 0.00 42.46 38.83 1itp s ILE 9 CO 0.23 0.00 -0.12 -0.36 -0.10 0.00 0.00 174.94 174.59 1itp s PHE 10 N -3.93 1.09 1.03 3.97 0.08 0.60 -2.82 117.98 117.99 1itp s PHE 10 Ca 0.38 -0.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.07 1itp s PHE 10 Cb 0.07 -0.71 0.16 0.00 -0.57 0.00 0.00 43.02 41.97 1itp s PHE 10 CO 0.14 -0.03 0.27 0.36 -0.10 0.00 0.00 175.22 175.85 1itp n LYS 11 N 2.86 -2.22 -0.91 0.44 2.85 -1.26 -4.52 118.16 115.40 1itp n LYS 11 Ca -0.15 -0.65 -0.19 0.00 -1.05 0.00 0.00 58.31 56.27 1itp n LYS 11 Cb 0.56 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.53 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 -1.29 5.08 0.00 -5.58 5.15 -1.26 -3.87 115.26 113.49 1itp n ASN 12 Ca 0.05 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 1itp n ASN 12 Cb 0.39 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 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 -0.34 2.00 -4.06 1.20 2.03 -1.26 -5.07 116.55 111.05 1itp n ASP 13 Ca 0.40 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.33 1itp n ASP 13 Cb 0.96 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 1itp n ASP 13 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1itp n VAL 14 N -2.49 0.30 -2.54 5.18 3.14 -1.25 -4.94 118.33 115.72 1itp n VAL 14 Ca 0.00 -0.47 -0.22 0.00 -2.96 0.00 0.00 64.34 60.68 1itp n VAL 14 Cb 0.39 0.00 0.04 0.00 -1.06 0.00 0.00 33.84 33.21 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 -0.95 5.19 0.02 6.55 1.04 -1.26 -4.94 113.70 119.36 1itp s SER 15 Ca 0.55 0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.86 1itp s SER 15 Cb -0.54 -0.97 -0.17 0.00 0.10 0.00 0.00 66.02 64.44 1itp s SER 15 CO 0.61 -1.23 1.36 -0.33 0.98 0.00 0.00 173.24 174.63 1itp h GLU 16 N -0.08 -0.30 -0.90 4.02 5.08 -1.99 -0.01 114.58 120.40 1itp h GLU 16 Ca -0.43 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1itp h GLU 16 Cb 1.30 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1itp h GLU 16 CO 0.55 -0.00 0.59 0.22 -1.00 0.00 0.00 179.01 179.36 1itp h ASP 17 N -0.59 0.98 -0.32 1.42 1.82 -1.99 -1.46 116.42 116.29 1itp h ASP 17 Ca -0.03 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1itp h ASP 17 Cb 0.43 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1itp h ASP 17 CO 0.05 0.67 0.18 0.11 -1.61 0.00 0.00 179.24 178.65 1itp h LYS 18 N 1.14 0.44 0.19 0.28 1.57 -1.91 0.16 116.57 118.44 1itp h LYS 18 Ca 0.35 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 1itp h LYS 18 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1itp h LYS 18 CO -0.10 0.35 -0.47 0.82 -0.57 0.00 0.00 179.45 179.48 1itp h ILE 19 N 0.40 0.09 -0.48 1.86 2.04 0.01 0.42 117.51 121.85 1itp h ILE 19 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1itp h ILE 19 Cb 0.04 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1itp h ILE 19 CO -0.02 0.00 0.33 0.03 0.00 0.00 0.00 178.15 178.49 1itp h ARG 20 N -0.75 0.30 0.35 2.37 3.08 -1.18 -2.57 114.38 115.98 1itp h ARG 20 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1itp h ARG 20 Cb 0.74 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1itp h ARG 20 CO -0.22 0.20 -0.17 0.93 -1.07 0.00 0.00 179.97 179.64 1itp h GLU 21 N 0.31 -0.45 -0.94 0.04 5.08 0.12 -0.67 114.58 118.07 1itp h GLU 21 Ca 0.22 0.03 0.35 0.00 -1.00 0.00 0.00 59.36 58.96 1itp h GLU 21 Cb 0.46 0.10 -0.17 0.00 0.50 0.00 0.00 28.75 29.64 1itp h GLU 21 CO -0.05 -0.30 0.35 2.41 -1.00 0.00 0.00 179.01 180.42 1itp n THR 22 N -3.57 -0.40 0.22 1.13 -1.04 0.13 0.16 114.28 110.91 1itp n THR 22 Ca -0.06 1.96 -0.14 0.00 -2.04 0.00 0.00 64.05 63.77 1itp n THR 22 Cb 0.18 -3.08 -0.08 0.00 -1.82 0.00 0.00 70.33 65.53 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 -0.54 -0.97 -2.82 1.57 -1.38 -2.39 116.57 110.03 1itp h LYS 23 Ca 0.73 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.64 1itp h LYS 23 Cb 1.82 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 34.18 1itp h LYS 23 CO -0.78 -0.25 0.62 -0.44 -0.57 0.00 0.00 179.45 178.04 1itp h ASP 24 N -0.84 0.92 -0.94 0.86 5.19 0.21 0.48 116.42 122.30 1itp h ASP 24 Ca -0.06 0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.50 1itp h ASP 24 Cb 0.55 -0.17 -0.09 0.00 0.18 0.00 0.00 39.33 39.81 1itp h ASP 24 CO 0.09 0.54 0.57 -0.08 -3.12 0.00 0.00 179.24 177.25 1itp h GLU 25 N 1.02 0.85 -0.09 3.56 4.57 0.18 0.25 114.58 124.91 1itp h GLU 25 Ca 0.45 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.38 1itp h GLU 25 Cb 0.36 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1itp h GLU 25 CO -0.20 0.56 -0.76 -0.24 -1.18 0.00 0.00 179.01 177.19 1itp h VAL 26 N 0.88 1.35 0.64 0.32 3.04 -0.47 0.15 116.25 122.16 1itp h VAL 26 Ca 0.48 -2.11 -0.03 0.00 -1.01 0.00 0.00 66.70 64.03 1itp h VAL 26 Cb 0.52 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1itp h VAL 26 CO -0.29 0.64 -0.38 0.40 -1.01 0.00 0.00 177.57 176.94 1itp h ILE 27 N 0.35 0.23 -0.63 3.17 1.08 0.79 1.32 117.51 123.83 1itp h ILE 27 Ca -0.04 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1itp h ILE 27 Cb 1.36 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1itp h ILE 27 CO 0.14 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 177.74 1itp h ALA 28 N -0.66 0.83 0.37 1.87 0.00 -0.67 -3.24 119.26 117.74 1itp h ALA 28 Ca -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1itp h ALA 28 Cb 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1itp h ALA 28 CO 0.09 0.55 -0.18 1.49 0.00 0.00 0.00 179.25 181.21 1itp h GLU 29 N 0.93 -0.48 0.00 0.00 4.81 -0.43 -3.48 114.58 115.92 1itp h GLU 29 Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1itp h GLU 29 Cb 0.38 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1itp h GLU 29 CO 0.01 -0.32 0.00 0.41 -0.73 0.00 0.00 179.01 178.38 1itp n GLY 30 N -1.25 -1.92 3.09 1.92 0.00 0.44 -5.05 105.19 102.42 1itp n GLY 30 Ca -0.06 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.45 -3.03 3.31 -0.02 0.00 -0.31 -4.66 105.19 99.02 1itp n GLY 31 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 0.16 -0.06 2.61 2.01 0.13 -2.68 115.64 115.74 1itp s THR 32 Ca 0.42 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.44 1itp s THR 32 Cb 0.00 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1itp s THR 32 CO 0.68 0.00 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.89 1itp s ILE 33 N -3.58 0.86 -0.06 1.82 -1.09 -1.26 -1.67 121.20 116.22 1itp s ILE 33 Ca 0.37 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1itp s ILE 33 Cb 0.04 -0.82 -0.09 0.00 -1.58 0.00 0.00 42.46 40.01 1itp s ILE 33 CO 0.21 0.30 0.04 1.07 -1.23 0.00 0.00 174.94 175.32 1itp n THR 34 N 3.92 0.42 -3.74 2.92 5.66 -1.00 -4.94 114.28 117.53 1itp n THR 34 Ca -0.24 -0.28 -0.10 0.00 -3.05 0.00 0.00 64.05 60.38 1itp n THR 34 Cb 0.51 -0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 68.57 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 -3.74 -0.10 0.21 1.09 0.01 -0.24 -5.04 114.94 107.13 1itp s ASN 35 Ca -0.03 -0.36 0.02 0.00 -0.71 0.00 0.00 52.86 51.78 1itp s ASN 35 Cb 0.02 0.40 -0.05 0.00 0.41 0.00 0.00 41.25 42.03 1itp s ASN 35 CO 0.29 -0.73 0.02 -1.83 -1.51 0.00 0.00 177.10 173.34 1itp s GLU 36 N -3.37 1.24 -0.33 -0.60 1.03 -1.26 -0.41 118.70 114.99 1itp s GLU 36 Ca 0.01 -1.62 0.03 0.00 0.03 0.00 0.00 54.97 53.41 1itp s GLU 36 Cb 0.02 -0.35 0.10 0.00 -0.80 0.00 0.00 34.13 33.10 1itp s GLU 36 CO -0.09 -0.16 0.06 0.71 -1.33 0.00 0.00 175.26 174.46 1itp s TYR 37 N -3.62 3.18 -0.89 4.83 1.51 0.11 -4.85 117.35 117.61 1itp s TYR 37 Ca 0.28 -2.64 0.01 0.00 -1.01 0.00 0.00 57.07 53.71 1itp s TYR 37 Cb 0.06 -2.58 0.33 0.00 -0.11 0.00 0.00 41.96 39.67 1itp s TYR 37 CO 0.07 -0.93 1.58 0.09 -1.11 0.00 0.00 175.55 175.26 1itp n ASN 38 N 4.42 6.53 -4.91 2.29 3.02 -1.26 -2.54 115.26 122.82 1itp n ASN 38 Ca 0.02 -3.70 -0.28 0.00 -0.03 0.00 0.00 54.58 50.60 1itp n ASN 38 Cb 0.42 -0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 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 -4.08 3.61 -1.22 3.52 -1.94 -0.91 -4.98 119.30 113.31 1itp s MET 39 Ca 0.42 0.05 -0.20 0.00 -1.71 0.00 0.00 55.69 54.25 1itp s MET 39 Cb 0.23 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 1itp s MET 39 CO -0.14 0.10 1.88 -0.35 -0.01 0.00 0.00 175.02 176.49 1itp n PRO 40 N -1.36 2.36 0.00 2.03 -0.04 -1.26 -2.04 135.00 134.69 1itp n PRO 40 Ca -0.01 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1itp n PRO 40 Cb 0.54 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1itp n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1itp n GLY 41 N 5.35 0.60 2.80 0.55 0.00 -1.26 -5.09 105.19 108.14 1itp n GLY 41 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 0.94 -0.76 1.61 0.00 -0.87 -5.06 119.30 115.16 1itp s MET 42 Ca 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 55.69 54.54 1itp s MET 42 Cb 0.00 -2.25 0.20 0.00 0.00 0.00 0.00 34.83 32.78 1itp s MET 42 CO 0.00 -0.87 0.65 0.15 0.00 0.00 0.00 175.02 174.94 1itp s LYS 43 N 1.52 3.16 0.17 4.11 1.02 -1.26 -2.15 119.74 126.32 1itp s LYS 43 Ca 0.06 -2.62 0.03 0.00 0.02 0.00 0.00 55.97 53.47 1itp s LYS 43 Cb -0.18 -4.09 -0.01 0.00 -0.52 0.00 0.00 37.83 33.03 1itp s LYS 43 CO -0.18 -1.24 0.16 0.41 -0.92 0.00 0.00 175.35 173.59 1itp n GLY 44 N 3.53 3.34 3.51 -3.33 0.00 -1.05 -0.29 105.19 110.89 1itp n GLY 44 Ca 0.13 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.86 -0.46 -0.03 1.61 -0.12 -0.72 0.06 117.98 115.46 1itp s PHE 45 Ca 0.20 0.21 0.03 0.00 -0.05 0.00 0.00 56.93 57.31 1itp s PHE 45 Cb 0.01 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1itp s PHE 45 CO 0.14 -0.89 -0.10 0.00 -0.05 0.00 0.00 175.22 174.31 1itp s ALA 46 N -3.72 0.98 0.00 1.99 0.00 0.45 -2.57 121.76 118.88 1itp s ALA 46 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1itp s ALA 46 Cb -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1itp s ALA 46 CO -0.09 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1itp n GLY 47 N 3.27 2.03 3.44 0.00 0.00 -0.99 -1.08 105.19 111.87 1itp n GLY 47 Ca -0.18 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 0.48 2.98 0.00 1.61 8.01 -0.67 -0.40 118.70 130.71 1itp s GLU 48 Ca 0.00 -1.10 0.00 0.00 0.01 0.00 0.00 54.97 53.88 1itp s GLU 48 Cb 0.00 -4.02 0.00 0.00 -4.31 0.00 0.00 34.13 25.80 1itp s GLU 48 CO 0.00 -0.83 0.00 1.28 0.01 0.00 0.00 175.26 175.72 1itp n LEU 49 N 5.19 0.00 0.00 1.80 4.32 -0.64 0.20 117.00 127.87 1itp n LEU 49 Ca -0.11 -0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.83 1itp n LEU 49 Cb 0.46 -0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1itp n LEU 49 CO 0.43 -0.24 0.11 0.41 -1.22 0.00 0.00 177.39 176.88 1itp n THR 50 N -0.47 0.00 0.06 -5.08 -1.04 -1.26 -2.57 114.28 103.91 1itp n THR 50 Ca -0.00 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.05 61.46 1itp n THR 50 Cb 0.00 0.32 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 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 0.43 0.68 -2.82 0.13 -1.98 -2.24 132.00 126.19 1itp h PRO 51 Ca -0.09 -0.42 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1itp h PRO 51 Cb 0.37 0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.62 1itp h PRO 51 CO 0.12 1.07 -0.33 0.37 -0.23 0.00 0.00 178.00 179.01 1itp h GLN 52 N 0.26 -0.88 -0.72 0.86 -0.00 -2.01 -2.86 115.11 109.77 1itp h GLN 52 Ca -0.06 0.06 0.14 0.00 -0.00 0.00 0.00 58.65 58.79 1itp h GLN 52 Cb 1.48 0.20 -0.05 0.00 0.00 0.00 0.00 27.48 29.12 1itp h GLN 52 CO 0.15 -0.59 0.48 0.77 0.00 0.00 0.00 178.83 179.65 1itp h SER 53 N -1.11 0.38 0.00 -0.69 0.02 -1.97 -2.76 113.55 107.42 1itp h SER 53 Ca -0.09 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1itp h SER 53 Cb 0.70 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1itp h SER 53 CO 0.15 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.22 1itp n LEU 54 N -4.47 0.00 -0.66 5.07 4.77 -0.84 -1.21 117.00 119.65 1itp n LEU 54 Ca 0.13 0.55 0.50 0.00 -0.03 0.00 0.00 56.01 57.17 1itp n LEU 54 Cb 0.50 -0.05 0.78 0.00 -2.33 0.00 0.00 43.42 42.31 1itp n LEU 54 CO 0.33 -0.05 1.40 0.41 -1.33 0.00 0.00 177.39 178.15 1itp n THR 55 N -0.91 -0.03 -0.02 -5.08 -1.04 -1.09 0.12 114.28 106.22 1itp n THR 55 Ca 0.00 1.47 -0.07 0.00 -2.04 0.00 0.00 64.05 63.41 1itp n THR 55 Cb 0.00 -2.45 -0.04 0.00 -1.82 0.00 0.00 70.33 66.02 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 -0.22 0.04 -2.82 3.11 -0.87 -2.92 116.57 112.89 1itp h LYS 56 Ca 0.90 0.02 -0.33 0.00 -2.81 0.00 0.00 60.65 58.42 1itp h LYS 56 Cb 3.54 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 34.78 1itp h LYS 56 CO -0.06 -0.15 -1.93 1.97 -2.81 0.00 0.00 179.45 176.47 1itp n PHE 57 N -3.86 0.93 0.00 1.91 1.16 0.66 -4.11 117.46 114.14 1itp n PHE 57 Ca -0.02 0.27 0.00 0.00 -1.87 0.00 0.00 57.45 55.83 1itp n PHE 57 Cb 0.16 -1.15 0.00 0.00 -1.61 0.00 0.00 39.48 36.89 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 -3.19 0.00 0.31 3.97 1.13 0.33 0.10 117.38 120.04 1itp n GLN 58 Ca -0.26 0.58 0.13 0.00 -1.94 0.00 0.00 57.00 55.51 1itp n GLN 58 Cb 1.06 -1.08 0.67 0.00 0.11 0.00 0.00 30.24 31.00 1itp n GLN 58 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1itp h GLY 59 N 0.00 0.00 -2.43 1.08 0.00 -1.72 1.41 103.07 101.41 1itp h GLY 59 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1itp h GLY 59 CO 0.00 0.00 0.05 -0.10 0.00 0.00 0.00 176.54 176.49 1itp n LEU 60 N -2.88 3.68 -4.52 3.11 7.94 0.29 -4.93 117.00 119.68 1itp n LEU 60 Ca -0.01 -1.88 -0.28 0.00 -1.11 0.00 0.00 56.01 52.73 1itp n LEU 60 Cb 0.52 -0.61 0.24 0.00 0.53 0.00 0.00 43.42 44.10 1itp n LEU 60 CO 0.12 0.50 0.54 -1.10 -1.11 0.00 0.00 177.39 176.34 1itp s GLN 61 N -1.88 -0.69 -0.86 1.96 -0.21 0.48 -2.91 119.66 115.56 1itp s GLN 61 Ca 0.28 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.48 1itp s GLN 61 Cb 0.22 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.65 1itp s GLN 61 CO 0.08 -3.56 0.00 0.41 -2.12 0.00 0.00 175.29 170.09 1itp n GLY 62 N 0.51 0.77 1.09 3.09 0.00 -1.00 -4.65 105.19 105.00 1itp n GLY 62 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1itp n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1itp n ASP 63 N -1.03 0.23 0.00 1.61 8.00 -1.14 -4.89 116.55 119.32 1itp n ASP 63 Ca -0.08 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1itp n ASP 63 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1itp n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1itp n LEU 64 N -3.08 0.00 -3.86 0.64 -0.00 -1.23 -4.91 117.00 104.56 1itp n LEU 64 Ca 0.00 -0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.72 1itp n LEU 64 Cb 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.62 1itp n LEU 64 CO 0.00 0.00 -0.41 -0.63 -0.00 0.00 0.00 177.39 176.35 1itp s ILE 65 N 0.00 1.07 0.01 1.47 -1.09 -1.26 -4.16 121.20 117.24 1itp s ILE 65 Ca 0.00 -0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 57.54 1itp s ILE 65 Cb 0.00 -1.34 -0.34 0.00 -1.58 0.00 0.00 42.46 39.20 1itp s ILE 65 CO 0.00 -0.00 0.92 -0.78 -1.23 0.00 0.00 174.94 173.84 1itp h ASP 66 N 8.11 0.75 -3.99 3.58 3.58 -1.78 -2.64 116.42 124.03 1itp h ASP 66 Ca -0.21 -0.88 -0.11 0.00 0.42 0.00 0.00 57.03 56.26 1itp h ASP 66 Cb 1.10 -0.24 -0.23 0.00 1.72 0.00 0.00 39.33 41.68 1itp h ASP 66 CO 0.39 1.71 -0.16 -0.44 -2.88 0.00 0.00 179.24 177.85 1itp s SER 67 N -7.47 -0.48 -0.08 2.28 0.01 -1.26 -4.92 113.70 101.78 1itp s SER 67 Ca -0.11 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1itp s SER 67 Cb 0.05 0.91 0.01 0.00 0.21 0.00 0.00 66.02 67.20 1itp s SER 67 CO 0.92 -0.19 -0.14 -0.51 0.41 0.00 0.00 173.24 173.73 1itp s ILE 68 N 0.13 1.27 -0.62 1.44 2.07 -1.26 -0.76 121.20 123.47 1itp s ILE 68 Ca -0.01 -0.55 0.05 0.00 -1.41 0.00 0.00 60.65 58.73 1itp s ILE 68 Cb -0.03 -1.16 0.18 0.00 0.13 0.00 0.00 42.46 41.57 1itp s ILE 68 CO 0.01 0.39 0.48 1.21 -1.91 0.00 0.00 174.94 175.12 1itp n GLU 69 N 3.89 1.46 -2.16 3.50 2.13 0.89 -5.01 120.64 125.34 1itp n GLU 69 Ca -0.21 -4.16 -0.41 0.00 0.66 0.00 0.00 57.16 53.04 1itp n GLU 69 Cb 0.52 -2.11 -0.03 0.00 0.27 0.00 0.00 31.44 30.09 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 -1.17 4.37 -0.02 5.31 2.02 -1.26 -2.18 118.70 125.78 1itp s GLU 70 Ca 0.28 2.14 0.02 0.00 0.02 0.00 0.00 54.97 57.44 1itp s GLU 70 Cb -0.00 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.13 1itp s GLU 70 CO -0.17 -0.23 0.81 -3.47 0.02 0.00 0.00 175.26 172.22 1itp n ASP 71 N 1.85 0.76 -4.79 -0.19 -0.08 -1.14 -4.96 116.55 107.99 1itp n ASP 71 Ca 0.04 -1.72 -0.34 0.00 -1.51 0.00 0.00 54.79 51.25 1itp n ASP 71 Cb 0.42 -0.10 -0.02 0.00 2.34 0.00 0.00 41.12 43.76 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 -0.82 2.51 -0.24 0.27 0.00 -1.20 -4.45 107.32 103.40 1itp s GLY 72 Ca 0.04 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.39 1itp s GLY 72 CO 0.00 0.96 -0.01 -1.50 0.00 0.00 0.00 173.10 172.56 1itp s ILE 73 N -1.97 1.20 -1.31 0.90 1.10 0.16 -4.92 121.20 116.35 1itp s ILE 73 Ca 0.68 -1.10 -0.08 0.00 -0.51 0.00 0.00 60.65 59.65 1itp s ILE 73 Cb -0.18 -1.60 0.14 0.00 0.15 0.00 0.00 42.46 40.97 1itp s ILE 73 CO 0.22 -0.21 2.10 0.52 -2.11 0.00 0.00 174.94 175.47 1itp n VAL 74 N 4.78 4.64 0.00 4.00 0.31 -1.26 -4.32 118.33 126.48 1itp n VAL 74 Ca -0.09 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 59.96 1itp n VAL 74 Cb 0.45 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1itp n VAL 74 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1itp n THR 75 N 2.81 0.00 -1.46 2.52 -1.04 -1.26 -5.10 114.28 110.75 1itp n THR 75 Ca 0.49 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.99 1itp n THR 75 Cb 0.32 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.01 1.29 1.16 12.58 -1.04 -1.26 -5.26 114.28 119.74 1itp n THR 76 Ca 0.00 -0.32 0.13 0.00 -2.04 0.00 0.00 64.05 61.81 1itp n THR 76 Cb 0.00 -0.14 0.24 0.00 -1.82 0.00 0.00 70.33 68.61 1itp n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10