#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 0.49 0.00 -0.72 0.00 -1.26 -5.16 121.76 115.12 1bal s ALA 2 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1bal s ALA 2 Cb 0.00 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1bal s ALA 2 CO 0.00 -0.84 0.00 0.43 0.00 0.00 0.00 175.76 175.35 1bal n SER 3 N -1.53 0.00 -4.48 0.00 7.64 -1.26 -5.07 113.62 108.92 1bal n SER 3 Ca -0.01 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.28 1bal n SER 3 Cb 0.61 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 1bal n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1bal n LEU 4 N 0.00 1.53 -4.52 -3.43 -0.00 -1.26 -4.62 117.00 104.69 1bal n LEU 4 Ca 0.00 0.78 -0.31 0.00 -0.00 0.00 0.00 56.01 56.48 1bal n LEU 4 Cb 0.00 -1.04 -0.13 0.00 -0.00 0.00 0.00 43.42 42.25 1bal n LEU 4 CO 0.00 -0.70 2.00 -0.62 -0.00 0.00 0.00 177.39 178.08 1bal n GLU 5 N 6.65 0.30 -3.36 1.96 1.02 -1.26 -4.86 120.64 121.10 1bal n GLU 5 Ca 0.41 -0.13 -0.38 0.00 -0.02 0.00 0.00 57.16 57.05 1bal n GLU 5 Cb 0.06 -2.11 -0.07 0.00 -0.02 0.00 0.00 31.44 29.30 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bal s GLU 6 N 8.32 4.28 1.09 3.49 2.12 -1.26 -5.05 118.70 131.69 1bal s GLU 6 Ca 1.21 0.34 -0.20 0.00 0.36 0.00 0.00 54.97 56.67 1bal s GLU 6 Cb -0.76 -3.47 0.04 0.00 0.26 0.00 0.00 34.13 30.21 1bal s GLU 6 CO 0.40 0.10 -0.31 1.04 -0.54 0.00 0.00 175.26 175.94 1bal n GLN 7 N 3.95 -1.25 0.00 4.30 6.02 -1.26 -4.96 117.38 124.17 1bal n GLN 7 Ca -0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1bal n GLN 7 Cb 0.51 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bal n ASN 8 N -0.59 0.00 -2.53 1.08 2.85 -1.26 -5.04 115.26 109.77 1bal n ASN 8 Ca 0.00 0.43 -0.03 0.00 -0.11 0.00 0.00 54.58 54.87 1bal n ASN 8 Cb 0.65 -0.38 -0.02 0.00 1.24 0.00 0.00 39.78 41.27 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bal n ASN 9 N -1.63 -4.25 0.00 1.20 4.05 -1.26 -5.00 115.26 108.38 1bal n ASN 9 Ca 0.00 1.46 0.00 0.00 0.45 0.00 0.00 54.58 56.49 1bal n ASN 9 Cb 0.00 -4.52 0.00 0.00 1.23 0.00 0.00 39.78 36.49 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1bal n ASP 10 N 1.89 1.36 0.00 1.20 8.00 -1.26 -5.02 116.55 122.73 1bal n ASP 10 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1bal n ASP 10 Cb 0.31 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 11 N -0.59 1.03 -1.50 2.24 0.00 -1.26 -5.03 120.51 115.41 1bal n ALA 11 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1bal n ALA 11 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 1bal n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bal n LEU 12 N -0.58 0.79 -4.83 0.00 4.77 -1.26 -4.95 117.00 110.95 1bal n LEU 12 Ca 0.00 0.95 -0.37 0.00 -0.03 0.00 0.00 56.01 56.55 1bal n LEU 12 Cb 0.00 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 1bal n LEU 12 CO 0.00 -2.47 -0.02 -0.44 -1.33 0.00 0.00 177.39 173.13 1bal s SER 13 N -0.90 6.57 0.60 -1.43 0.01 -1.26 -4.96 113.70 112.33 1bal s SER 13 Ca 0.64 0.68 0.34 0.00 1.31 0.00 0.00 55.95 58.92 1bal s SER 13 Cb -0.59 -2.17 1.92 0.00 0.21 0.00 0.00 66.02 65.39 1bal s SER 13 CO 0.57 0.31 2.24 1.55 0.41 0.00 0.00 173.24 178.32 1bal h PRO 14 N 5.23 0.00 0.00 12.44 0.13 -2.00 -0.47 132.00 147.33 1bal h PRO 14 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1bal h PRO 14 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1bal h PRO 14 CO 0.63 0.03 -0.14 0.00 -0.23 0.00 0.00 178.00 178.29 1bal n ALA 15 N -2.22 2.43 0.02 -0.56 0.00 -1.26 -3.70 120.51 115.21 1bal n ALA 15 Ca -0.03 -0.07 0.21 0.00 0.00 0.00 0.00 53.44 53.55 1bal n ALA 15 Cb 0.12 -1.40 0.52 0.00 0.00 0.00 0.00 19.45 18.70 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 0.12 0.18 0.00 2.10 -1.48 0.45 117.51 118.88 1bal h ILE 16 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1bal h ILE 16 Cb 0.74 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1bal h ILE 16 CO 0.00 0.00 -0.09 0.03 -1.08 0.00 0.00 178.15 177.01 1bal h ARG 17 N 0.00 -0.23 0.00 2.19 3.08 -1.78 -3.27 114.38 114.37 1bal h ARG 17 Ca 0.28 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1bal h ARG 17 Cb 1.97 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1bal h ARG 17 CO -0.00 -0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.28 1bal n ARG 18 N -4.27 0.12 0.32 0.04 1.74 -0.27 -2.24 116.66 112.11 1bal n ARG 18 Ca -0.03 0.44 0.20 0.00 -0.77 0.00 0.00 57.85 57.68 1bal n ARG 18 Cb 0.09 -1.77 1.09 0.00 -1.02 0.00 0.00 32.46 30.86 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bal h LEU 19 N 0.00 0.00 0.09 0.55 5.85 -0.22 0.19 115.31 121.77 1bal h LEU 19 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bal h LEU 19 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1bal h LEU 19 CO 0.00 0.00 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.99 1bal h LEU 20 N 0.00 -0.11 -0.31 2.25 3.38 -1.60 -3.30 115.31 115.62 1bal h LEU 20 Ca -0.00 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1bal h LEU 20 Cb 0.01 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1bal h LEU 20 CO 0.00 0.54 -0.14 0.00 0.09 0.00 0.00 178.44 178.93 1bal h ALA 21 N -0.33 0.43 -0.24 1.53 0.00 -1.66 2.17 119.26 121.17 1bal h ALA 21 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1bal h ALA 21 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bal h ALA 21 CO 0.02 0.33 0.80 1.49 0.00 0.00 0.00 179.25 181.88 1bal h GLU 22 N 0.40 0.00 0.00 0.00 4.57 -0.76 0.17 114.58 118.96 1bal h GLU 22 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1bal h GLU 22 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1bal h GLU 22 CO 0.04 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.59 1bal n HIS 23 N -2.88 0.00 -2.87 0.92 8.25 -0.99 -5.08 115.22 112.57 1bal n HIS 23 Ca 0.05 -0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1bal n HIS 23 Cb 0.89 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.98 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N -0.00 -5.22 -3.78 0.41 4.13 0.73 -5.00 115.26 106.53 1bal n ASN 24 Ca 0.00 1.08 -0.23 0.00 1.68 0.00 0.00 54.58 57.11 1bal n ASN 24 Cb 0.19 -3.57 -0.17 0.00 -1.54 0.00 0.00 39.78 34.68 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bal s LEU 25 N -0.77 0.66 -1.08 3.41 1.43 -0.98 -4.98 118.68 116.37 1bal s LEU 25 Ca -0.09 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 1bal s LEU 25 Cb 0.01 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1bal s LEU 25 CO 0.43 -0.19 1.74 -1.81 0.23 0.00 0.00 176.35 176.74 1bal s ASP 26 N 1.95 5.93 0.00 2.29 1.01 -1.26 -4.75 116.67 121.84 1bal s ASP 26 Ca 0.05 -1.50 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1bal s ASP 26 Cb -0.13 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1bal s ASP 26 CO -0.06 -2.06 0.74 0.00 0.21 0.00 0.00 175.17 174.00 1bal n ALA 27 N 11.18 0.92 0.14 5.23 0.00 -1.26 -0.54 120.51 136.19 1bal n ALA 27 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.84 1bal n ALA 27 Cb 0.48 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 19.30 1bal n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bal h SER 28 N 0.00 0.00 0.63 0.00 4.64 -2.01 -3.16 113.55 113.64 1bal h SER 28 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1bal h SER 28 Cb 0.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1bal h SER 28 CO 0.00 0.61 -1.52 0.00 -0.87 0.00 0.00 176.83 175.05 1bal h ALA 29 N 1.39 0.70 -2.76 5.18 0.00 -1.22 -3.46 119.26 119.09 1bal h ALA 29 Ca -0.01 -1.14 -0.51 0.00 0.00 0.00 0.00 54.91 53.26 1bal h ALA 29 Cb 1.14 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1bal h ALA 29 CO 0.08 1.25 0.46 0.42 0.00 0.00 0.00 179.25 181.46 1bal s ILE 30 N -2.76 3.63 0.19 0.00 -1.09 -1.20 -4.97 121.20 115.01 1bal s ILE 30 Ca -0.03 1.59 -0.31 0.00 -2.23 0.00 0.00 60.65 59.66 1bal s ILE 30 Cb 0.08 -4.01 -0.10 0.00 -1.58 0.00 0.00 42.46 36.86 1bal s ILE 30 CO 0.82 0.35 1.50 -1.59 -1.23 0.00 0.00 174.94 174.79 1bal s LYS 31 N -1.15 4.24 -0.56 2.79 -2.85 -1.26 -4.94 119.74 116.01 1bal s LYS 31 Ca 0.45 2.31 0.07 0.00 -1.00 0.00 0.00 55.97 57.80 1bal s LYS 31 Cb -0.31 -3.15 0.25 0.00 -2.06 0.00 0.00 37.83 32.56 1bal s LYS 31 CO 0.39 -0.53 0.68 0.41 0.10 0.00 0.00 175.35 176.40 1bal n GLY 32 N 3.20 4.20 0.38 0.59 0.00 -1.26 -4.82 105.19 107.48 1bal n GLY 32 Ca 0.11 -2.39 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 1bal n GLY 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bal h THR 33 N 2.80 0.15 -0.21 2.61 1.35 -1.91 -3.30 112.91 114.39 1bal h THR 33 Ca 0.16 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1bal h THR 33 Cb 0.73 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1bal h THR 33 CO 0.72 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1bal n GLY 34 N -0.79 0.62 0.41 5.82 0.00 -1.22 0.91 105.19 110.94 1bal n GLY 34 Ca -0.12 -0.86 0.19 0.00 0.00 0.00 0.00 46.02 45.23 1bal n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bal h VAL 35 N 0.00 0.15 0.00 1.61 2.07 -1.92 -3.39 116.25 114.78 1bal h VAL 35 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bal h VAL 35 Cb 0.00 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1bal h VAL 35 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1bal n GLY 36 N -1.50 0.00 0.00 2.17 0.00 0.33 -4.95 105.19 101.24 1bal n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.00 0.20 3.77 -0.02 0.00 0.26 -5.04 105.19 104.36 1bal n GLY 37 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N 0.00 4.29 0.31 1.61 1.81 -1.24 -4.91 118.95 120.83 1bal s ARG 38 Ca 0.00 0.73 -0.27 0.00 -1.72 0.00 0.00 55.73 54.46 1bal s ARG 38 Cb 0.00 -3.32 -0.09 0.00 -0.45 0.00 0.00 34.95 31.08 1bal s ARG 38 CO 0.00 0.42 0.99 -1.17 -0.68 0.00 0.00 175.30 174.86 1bal s LEU 39 N -0.35 4.40 0.00 2.53 2.96 -1.26 -3.40 118.68 123.57 1bal s LEU 39 Ca 0.30 1.98 0.01 0.00 -0.22 0.00 0.00 54.13 56.20 1bal s LEU 39 Cb -0.18 -3.89 -0.00 0.00 0.50 0.00 0.00 46.19 42.61 1bal s LEU 39 CO 0.17 -0.12 0.02 0.35 -1.32 0.00 0.00 176.35 175.45 1bal n THR 40 N 0.74 0.00 -0.04 3.68 -2.24 -1.26 -5.01 114.28 110.15 1bal n THR 40 Ca 0.01 -0.45 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1bal n THR 40 Cb 0.48 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 1bal n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bal n ARG 41 N -0.19 0.65 0.00 -0.78 0.63 -1.26 -4.03 116.66 111.68 1bal n ARG 41 Ca -0.02 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 1bal n ARG 41 Cb 0.12 -1.73 0.00 0.00 0.45 0.00 0.00 32.46 31.30 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -2.98 0.81 0.00 -0.14 2.13 -1.26 -2.56 120.64 116.64 1bal n GLU 42 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1bal n GLU 42 Cb 1.08 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.65 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N 0.52 0.84 0.03 4.31 8.00 -1.26 -4.79 116.55 124.21 1bal n ASP 43 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1bal n ASP 43 Cb 0.38 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.78 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bal n VAL 44 N -2.42 0.20 -0.15 2.53 0.31 -1.21 -3.88 118.33 113.71 1bal n VAL 44 Ca 0.00 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1bal n VAL 44 Cb 0.24 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.05 1bal n VAL 44 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bal h GLU 45 N 0.00 0.79 -2.06 5.55 4.39 -1.80 -3.00 114.58 118.45 1bal h GLU 45 Ca 0.00 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 1bal h GLU 45 Cb 0.62 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1bal h GLU 45 CO 0.00 0.87 -0.12 1.63 -1.16 0.00 0.00 179.01 180.23 1bal n LYS 46 N -4.37 1.24 0.00 2.33 5.02 -1.25 -3.11 118.16 118.03 1bal n LYS 46 Ca -0.00 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1bal n LYS 46 Cb 0.32 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1bal n HIS 47 N 2.02 0.00 0.04 2.13 -0.00 -1.13 -4.80 115.22 113.47 1bal n HIS 47 Ca 0.17 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.36 1bal n HIS 47 Cb 0.59 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.55 1bal n HIS 47 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1bal n LEU 48 N -1.10 0.08 -3.54 0.27 4.77 -1.18 -4.53 117.00 111.77 1bal n LEU 48 Ca 0.00 0.36 -0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1bal n LEU 48 Cb 0.00 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 1bal n LEU 48 CO 0.00 -0.39 0.27 0.00 -1.33 0.00 0.00 177.39 175.95 1bal s ALA 49 N -2.77 -1.26 -0.91 -1.18 0.00 -1.26 -5.03 121.76 109.35 1bal s ALA 49 Ca -0.00 0.25 0.22 0.00 0.00 0.00 0.00 51.96 52.43 1bal s ALA 49 Cb 0.01 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1bal s ALA 49 CO 0.03 -0.68 1.05 1.63 0.00 0.00 0.00 175.76 177.79 1bal n LYS 50 N -0.22 0.06 0.00 0.00 5.02 -1.26 -4.95 118.16 116.81 1bal n LYS 50 Ca -0.17 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1bal n LYS 50 Cb 0.64 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88