#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nvt s THR 26 N 0.00 3.89 -0.12 0.00 2.01 -1.26 -5.01 115.64 115.15 2nvt s THR 26 Ca 0.00 0.99 -0.21 0.00 0.31 0.00 0.00 61.69 62.77 2nvt s THR 26 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2nvt s THR 26 CO 0.00 -0.43 0.63 -0.76 -0.69 0.00 0.00 174.62 173.37 2nvt s LEU 27 N 4.98 4.25 0.08 4.42 1.43 -1.26 -4.92 118.68 127.65 2nvt s LEU 27 Ca 0.64 0.99 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 2nvt s LEU 27 Cb -0.20 -2.93 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 2nvt s LEU 27 CO 0.27 -0.14 -0.01 0.29 0.23 0.00 0.00 176.35 176.99 2nvt n LYS 28 N 4.17 0.02 -3.97 1.70 4.76 -1.21 -4.93 118.16 118.70 2nvt n LYS 28 Ca -0.03 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 2nvt n LYS 28 Cb 0.51 -0.53 -0.11 0.00 -1.84 0.00 0.00 35.03 33.05 2nvt n LYS 28 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2nvt s TYR 29 N -2.03 0.25 -0.10 2.13 1.51 -1.02 -4.12 117.35 113.97 2nvt s TYR 29 Ca -0.01 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2nvt s TYR 29 Cb 0.00 -0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 41.66 2nvt s TYR 29 CO 0.01 -0.18 -0.21 0.42 -1.11 0.00 0.00 175.55 174.49 2nvt s ILE 30 N -1.38 2.37 0.29 2.71 1.01 -0.60 -1.19 121.20 124.41 2nvt s ILE 30 Ca -0.15 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2nvt s ILE 30 Cb -0.09 -1.92 -0.11 0.00 0.01 0.00 0.00 42.46 40.35 2nvt s ILE 30 CO -0.01 0.56 1.49 0.00 0.00 0.00 0.00 174.94 176.98 2nvt h ALA 32 N 4.51 0.69 0.00 0.00 0.00 -1.90 -2.67 119.26 119.89 2nvt h ALA 32 Ca -0.47 -1.19 -0.36 0.00 0.00 0.00 0.00 54.91 52.89 2nvt h ALA 32 Cb 1.22 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 2nvt h ALA 32 CO 0.75 1.32 -2.34 -1.91 0.00 0.00 0.00 179.25 177.07 2nvt n GLU 33 N -3.04 0.80 -0.05 0.00 2.13 -1.26 -4.73 120.64 114.49 2nvt n GLU 33 Ca -0.12 0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.66 2nvt n GLU 33 Cb 0.97 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 31.03 2nvt n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nvt n SER 35 N -2.77 -1.82 -4.71 0.00 7.64 -1.01 -5.05 113.62 105.90 2nvt n SER 35 Ca -0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.24 2nvt n SER 35 Cb 1.01 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 63.88 2nvt n SER 35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2nvt s SER 36 N -2.14 7.32 0.40 6.43 0.15 -1.26 -4.71 113.70 119.89 2nvt s SER 36 Ca 0.00 1.59 -0.25 0.00 0.70 0.00 0.00 55.95 57.99 2nvt s SER 36 Cb 0.00 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.68 2nvt s SER 36 CO 0.00 -0.22 1.18 -0.54 1.20 0.00 0.00 173.24 174.86 2nvt s LYS 37 N 0.88 4.04 0.14 5.44 1.02 -1.26 -2.49 119.74 127.51 2nvt s LYS 37 Ca 0.49 1.86 0.01 0.00 0.02 0.00 0.00 55.97 58.35 2nvt s LYS 37 Cb -0.21 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2nvt s LYS 37 CO 0.27 -0.34 0.01 -0.51 -0.92 0.00 0.00 175.35 173.86 2nvt s LEU 38 N -2.50 2.07 -0.20 3.17 1.02 -0.33 -4.97 118.68 116.95 2nvt s LEU 38 Ca 0.57 -1.15 0.23 0.00 0.02 0.00 0.00 54.13 53.80 2nvt s LEU 38 Cb -0.31 0.09 0.49 0.00 0.02 0.00 0.00 46.19 46.47 2nvt s LEU 38 CO 0.39 -0.62 1.13 -0.24 0.02 0.00 0.00 176.35 177.04 2nvt n SER 39 N -0.14 1.62 -4.69 2.29 2.88 -1.26 -2.43 113.62 111.89 2nvt n SER 39 Ca -0.07 -2.14 -0.42 0.00 -1.33 0.00 0.00 58.87 54.90 2nvt n SER 39 Cb 0.63 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2nvt n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2nvt s LEU 40 N -2.88 4.27 0.20 2.46 1.43 -1.26 -5.01 118.68 117.89 2nvt s LEU 40 Ca 0.30 1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 2nvt s LEU 40 Cb 0.34 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 2nvt s LEU 40 CO -0.07 -0.59 0.54 -0.94 0.23 0.00 0.00 176.35 175.52 2nvt s SER 41 N 1.48 6.66 0.00 2.29 1.04 -1.26 -4.94 113.70 118.97 2nvt s SER 41 Ca 0.55 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.92 2nvt s SER 41 Cb -0.24 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2nvt s SER 41 CO 0.21 -0.02 0.00 -2.11 0.98 0.00 0.00 173.24 172.30 2nvt n ARG 42 N 0.10 0.00 -0.25 4.02 -4.01 -1.26 -1.21 116.66 114.05 2nvt n ARG 42 Ca -0.01 0.00 0.08 0.00 -1.04 0.00 0.00 57.85 56.88 2nvt n ARG 42 Cb 0.52 -1.11 0.22 0.00 -3.04 0.00 0.00 32.46 29.05 2nvt n ARG 42 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 2nvt n THR 43 N 0.76 0.97 -2.69 8.89 -1.04 -1.26 -4.78 114.28 115.13 2nvt n THR 43 Ca 0.00 -0.99 -0.18 0.00 -2.04 0.00 0.00 64.05 60.85 2nvt n THR 43 Cb 0.00 0.52 0.01 0.00 -1.82 0.00 0.00 70.33 69.04 2nvt n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2nvt n ASP 44 N 0.99 2.72 0.00 8.00 -0.08 -0.35 -5.08 116.55 122.75 2nvt n ASP 44 Ca 0.17 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.28 2nvt n ASP 44 Cb 0.51 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2nvt n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2nvt n ALA 45 N -0.18 0.00 -2.00 -1.67 0.00 -1.26 -4.66 120.51 110.74 2nvt n ALA 45 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2nvt n ALA 45 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2nvt n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2nvt n VAL 46 N 0.00 0.00 -4.05 0.00 0.31 -1.26 -4.99 118.33 108.35 2nvt n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2nvt n VAL 46 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2nvt n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2nvt n ARG 47 N 0.00 0.00 0.00 5.55 3.00 -1.26 -5.01 116.66 118.94 2nvt n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2nvt n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2nvt n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nvt n LYS 49 N 0.00 0.00 -0.58 0.00 4.76 -1.26 -4.94 118.16 116.13 2nvt n LYS 49 Ca 0.00 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.54 2nvt n LYS 49 Cb 0.00 0.00 0.35 0.00 -1.84 0.00 0.00 35.03 33.54 2nvt n LYS 49 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2nvt n ASP 50 N -2.58 4.66 0.00 4.39 5.75 -1.26 -4.69 116.55 122.83 2nvt n ASP 50 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 2nvt n ASP 50 Cb 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2nvt n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nvt n GLY 52 N -0.03 3.36 2.91 0.00 0.00 -1.26 -5.07 105.19 105.09 2nvt n GLY 52 Ca 0.00 -0.95 -0.48 0.00 0.00 0.00 0.00 46.02 44.59 2nvt n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nvt n HIS 53 N 0.00 0.41 1.23 1.61 8.25 -1.26 -3.67 115.22 121.78 2nvt n HIS 53 Ca 0.00 0.87 0.05 0.00 -0.26 0.00 0.00 57.72 58.38 2nvt n HIS 53 Cb 0.00 -1.73 0.14 0.00 1.12 0.00 0.00 29.99 29.53 2nvt n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2nvt n ARG 54 N 1.19 1.57 0.00 -0.41 1.74 -1.26 -3.94 116.66 115.56 2nvt n ARG 54 Ca 0.16 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.35 2nvt n ARG 54 Cb 0.09 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2nvt n ARG 54 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2nvt n ILE 55 N 0.21 0.00 -1.73 0.55 -5.35 -1.26 -4.53 119.36 107.25 2nvt n ILE 55 Ca 0.09 0.83 -0.00 0.00 -0.27 0.00 0.00 62.75 63.39 2nvt n ILE 55 Cb 0.22 -1.65 -0.00 0.00 -1.74 0.00 0.00 39.64 36.46 2nvt n ILE 55 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2nvt n LEU 56 N -0.50 -4.31 -4.95 7.28 4.77 -1.26 -4.90 117.00 113.14 2nvt n LEU 56 Ca 0.00 1.40 -0.22 0.00 -0.03 0.00 0.00 56.01 57.16 2nvt n LEU 56 Cb 0.00 -2.14 0.01 0.00 -2.33 0.00 0.00 43.42 38.96 2nvt n LEU 56 CO 0.00 -1.56 0.14 -0.76 -1.33 0.00 0.00 177.39 173.88 2nvt s LEU 57 N -0.31 3.09 -0.44 2.23 1.43 0.54 -4.91 118.68 120.32 2nvt s LEU 57 Ca -0.02 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.20 2nvt s LEU 57 Cb 0.00 -1.68 0.45 0.00 0.03 0.00 0.00 46.19 44.99 2nvt s LEU 57 CO 0.06 -1.03 1.49 1.17 0.23 0.00 0.00 176.35 178.26 2nvt n LYS 58 N -1.87 3.28 0.00 1.70 4.81 -1.26 -1.56 118.16 123.26 2nvt n LYS 58 Ca 0.06 -3.88 0.00 0.00 -0.87 0.00 0.00 58.31 53.62 2nvt n LYS 58 Cb 0.62 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.39 2nvt n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nvt n ALA 59 N -0.76 0.00 -3.32 3.14 0.00 -1.26 -4.88 120.51 113.44 2nvt n ALA 59 Ca 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.94 2nvt n ALA 59 Cb 0.83 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.29 2nvt n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2nvt n ARG 60 N 12.27 0.45 -0.91 0.00 0.63 -1.26 -5.04 116.66 122.81 2nvt n ARG 60 Ca 0.00 -0.88 -0.01 0.00 -0.92 0.00 0.00 57.85 56.03 2nvt n ARG 60 Cb 0.00 1.10 0.01 0.00 0.45 0.00 0.00 32.46 34.02 2nvt n ARG 60 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2nvt n THR 61 N -0.22 0.00 -0.14 5.15 -2.24 -1.26 -5.01 114.28 110.57 2nvt n THR 61 Ca -0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2nvt n THR 61 Cb 0.24 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2nvt n THR 61 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nvt n LYS 62 N -1.10 2.16 0.00 -0.78 5.02 -1.26 -4.74 118.16 117.46 2nvt n LYS 62 Ca 0.01 -0.18 0.02 0.00 -2.02 0.00 0.00 58.31 56.14 2nvt n LYS 62 Cb 0.04 -0.61 0.11 0.00 -0.02 0.00 0.00 35.03 34.55 2nvt n LYS 62 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2nvt n ARG 63 N -0.36 0.03 -0.94 1.97 5.12 -1.26 -4.94 116.66 116.28 2nvt n ARG 63 Ca 0.00 0.34 0.00 0.00 -1.93 0.00 0.00 57.85 56.26 2nvt n ARG 63 Cb 0.03 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 2nvt n ARG 63 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2nvt n LEU 64 N -1.40 0.00 -4.87 0.55 4.77 -1.26 -4.98 117.00 109.80 2nvt n LEU 64 Ca 0.02 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.37 2nvt n LEU 64 Cb 0.05 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 2nvt n LEU 64 CO 0.04 -0.41 -0.12 0.68 -1.33 0.00 0.00 177.39 176.25 2nvt s VAL 65 N 0.00 4.61 0.13 4.08 -7.23 -1.26 -5.12 120.40 115.62 2nvt s VAL 65 Ca 0.00 -1.27 0.10 0.00 -1.81 0.00 0.00 61.98 59.00 2nvt s VAL 65 Cb 0.00 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 2nvt s VAL 65 CO 0.00 -0.33 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.12 2nvt s GLN 66 N -3.90 1.52 -0.46 4.82 -0.21 -1.26 -5.12 119.66 115.05 2nvt s GLN 66 Ca 0.34 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.45 2nvt s GLN 66 Cb -0.08 -1.95 0.18 0.00 1.00 0.00 0.00 33.01 32.15 2nvt s GLN 66 CO 0.26 0.45 0.55 -0.06 -2.12 0.00 0.00 175.29 174.38 2nvt s PHE 67 N -1.15 -0.55 0.26 0.91 0.40 -1.26 -5.12 117.98 111.46 2nvt s PHE 67 Ca 0.16 -1.15 -0.23 0.00 -0.60 0.00 0.00 56.93 55.11 2nvt s PHE 67 Cb -0.10 -0.19 -0.15 0.00 0.51 0.00 0.00 43.02 43.10 2nvt s PHE 67 CO 0.08 -1.08 0.31 0.39 0.70 0.00 0.00 175.22 175.61 2nvt n GLU 68 N 3.15 0.00 -1.64 0.44 1.02 -1.26 -4.78 120.64 117.56 2nvt n GLU 68 Ca 0.21 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.02 2nvt n GLU 68 Cb 0.52 -0.91 0.01 0.00 -0.02 0.00 0.00 31.44 31.03 2nvt n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nvt n ALA 69 N -0.38 6.40 0.55 0.62 0.00 -1.26 -5.35 120.51 121.10 2nvt n ALA 69 Ca 0.14 -3.50 0.07 0.00 0.00 0.00 0.00 53.44 50.14 2nvt n ALA 69 Cb 0.28 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 17.79 2nvt n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04