#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal n ALA 2 N 0.00 0.76 -3.00 -3.48 0.00 -1.26 -5.09 120.51 108.44 1bal n ALA 2 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 0.00 0.00 -0.06 0.00 7.64 -1.26 -5.01 113.62 114.92 1bal n SER 3 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1bal n SER 3 Cb 0.44 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.50 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bal n LEU 4 N 0.00 2.09 -0.04 -3.43 4.77 -1.26 -4.45 117.00 114.67 1bal n LEU 4 Ca 0.00 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1bal n LEU 4 Cb 0.00 -0.60 -0.14 0.00 -2.33 0.00 0.00 43.42 40.34 1bal n LEU 4 CO 0.00 0.76 -0.81 1.21 -1.33 0.00 0.00 177.39 177.23 1bal n GLU 5 N -3.23 0.66 -1.53 3.23 2.13 -1.26 -4.95 120.64 115.69 1bal n GLU 5 Ca -0.35 0.06 -0.51 0.00 0.66 0.00 0.00 57.16 57.02 1bal n GLU 5 Cb 1.05 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 31.08 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bal n GLU 6 N -2.75 0.71 -1.46 5.31 4.07 -1.26 -4.96 120.64 120.31 1bal n GLU 6 Ca -0.21 0.25 -0.07 0.00 -0.06 0.00 0.00 57.16 57.07 1bal n GLU 6 Cb 0.98 -1.66 0.03 0.00 -0.06 0.00 0.00 31.44 30.73 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bal n GLN 7 N 1.55 0.58 0.00 5.31 -0.00 -1.26 -4.70 117.38 118.86 1bal n GLN 7 Ca 0.17 -0.99 0.00 0.00 -0.00 0.00 0.00 57.00 56.17 1bal n GLN 7 Cb 0.21 -0.17 0.00 0.00 -0.00 0.00 0.00 30.24 30.29 1bal n GLN 7 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1bal n ASN 8 N -2.88 0.00 -4.34 2.61 2.04 -1.26 -4.14 115.26 107.29 1bal n ASN 8 Ca 0.06 0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.83 1bal n ASN 8 Cb 0.20 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.51 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1bal n ASN 9 N 0.00 -2.57 0.00 0.53 3.02 -1.26 -4.84 115.26 110.14 1bal n ASN 9 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1bal n ASN 9 Cb 0.00 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bal n ASP 10 N 0.95 0.00 0.00 6.41 9.92 -1.26 -5.16 116.55 127.41 1bal n ASP 10 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1bal n ASP 10 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bal n ALA 11 N -3.00 0.00 -1.66 2.24 0.00 -1.26 -5.17 120.51 111.66 1bal n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.09 0.00 4.77 -1.26 -5.14 117.00 111.29 1bal n LEU 12 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1bal n LEU 12 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1bal n LEU 12 CO 0.00 -0.13 -0.23 -0.94 -1.33 0.00 0.00 177.39 174.76 1bal s SER 13 N -1.00 0.25 0.25 -1.43 1.04 -1.26 -5.05 113.70 106.50 1bal s SER 13 Ca 0.00 -1.09 -0.06 0.00 0.48 0.00 0.00 55.95 55.28 1bal s SER 13 Cb 0.00 0.32 0.29 0.00 0.10 0.00 0.00 66.02 66.73 1bal s SER 13 CO 0.00 -0.76 1.90 1.55 0.98 0.00 0.00 173.24 176.91 1bal h PRO 14 N 2.81 1.17 0.00 4.02 0.13 -2.05 -1.23 132.00 136.86 1bal h PRO 14 Ca -0.34 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1bal h PRO 14 Cb 1.20 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1bal h PRO 14 CO 0.57 0.78 0.31 0.00 -0.23 0.00 0.00 178.00 179.43 1bal h ALA 15 N 1.38 1.26 -0.58 -0.56 0.00 -1.99 -1.47 119.26 117.30 1bal h ALA 15 Ca 0.37 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.45 1bal h ALA 15 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1bal h ALA 15 CO -0.11 -0.26 0.65 0.97 0.00 0.00 0.00 179.25 180.51 1bal h ILE 16 N 0.00 0.26 0.00 0.00 2.10 -1.64 0.85 117.51 119.08 1bal h ILE 16 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 1bal h ILE 16 Cb 0.62 0.47 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1bal h ILE 16 CO 0.00 0.00 -0.28 0.03 -1.08 0.00 0.00 178.15 176.82 1bal h ARG 17 N 0.00 0.00 0.00 2.19 2.47 -1.50 -3.31 114.38 114.22 1bal h ARG 17 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1bal h ARG 17 Cb 1.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 1bal h ARG 17 CO -0.00 0.45 0.00 0.54 0.56 0.00 0.00 179.97 181.52 1bal n ARG 18 N -4.65 0.05 -0.05 0.04 5.12 -0.57 -2.91 116.66 113.70 1bal n ARG 18 Ca -0.09 0.23 0.23 0.00 -1.93 0.00 0.00 57.85 56.29 1bal n ARG 18 Cb 0.29 -1.50 0.71 0.00 -1.16 0.00 0.00 32.46 30.80 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bal h LEU 19 N 0.00 0.00 -1.13 0.55 5.85 0.58 0.34 115.31 121.50 1bal h LEU 19 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1bal h LEU 19 Cb 0.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1bal h LEU 19 CO 0.00 0.00 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.74 1bal h LEU 20 N 0.00 0.25 0.13 2.25 3.38 -1.76 -3.02 115.31 116.54 1bal h LEU 20 Ca 0.30 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 1bal h LEU 20 Cb 1.25 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1bal h LEU 20 CO -0.00 0.54 -1.59 0.00 0.09 0.00 0.00 178.44 177.48 1bal h ALA 21 N 1.48 0.26 -0.96 1.53 0.00 -0.60 0.24 119.26 121.21 1bal h ALA 21 Ca 0.03 -1.13 0.19 0.00 0.00 0.00 0.00 54.91 54.01 1bal h ALA 21 Cb 0.63 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1bal h ALA 21 CO 0.05 1.12 0.55 1.49 0.00 0.00 0.00 179.25 182.46 1bal h GLU 22 N 0.08 0.66 -0.09 0.00 4.22 -1.03 0.37 114.58 118.78 1bal h GLU 22 Ca -0.27 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1bal h GLU 22 Cb 2.04 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1bal h GLU 22 CO 0.16 0.44 0.00 0.72 -2.18 0.00 0.00 179.01 178.15 1bal n HIS 23 N -4.83 0.10 -3.47 0.92 8.25 -1.16 -4.94 115.22 110.08 1bal n HIS 23 Ca 0.22 -0.05 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1bal n HIS 23 Cb 0.57 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.75 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1bal n ASN 24 N 0.92 -5.79 -4.35 0.41 2.85 0.13 -5.00 115.26 104.42 1bal n ASN 24 Ca 0.17 -0.48 -0.32 0.00 -0.11 0.00 0.00 54.58 53.83 1bal n ASN 24 Cb 0.50 -4.55 -0.15 0.00 1.24 0.00 0.00 39.78 36.82 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -6.61 2.32 0.03 1.20 1.43 0.82 -5.01 118.68 112.87 1bal s LEU 25 Ca 0.51 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1bal s LEU 25 Cb -0.22 -1.44 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 1bal s LEU 25 CO 0.65 0.29 0.41 -1.81 0.23 0.00 0.00 176.35 176.13 1bal s ASP 26 N -0.44 6.76 0.00 2.29 1.11 -1.26 -4.39 116.67 120.75 1bal s ASP 26 Ca 0.05 0.92 0.19 0.00 0.18 0.00 0.00 52.55 53.89 1bal s ASP 26 Cb -0.12 -2.23 0.97 0.00 1.07 0.00 0.00 42.92 42.61 1bal s ASP 26 CO 0.01 0.27 1.57 0.00 1.18 0.00 0.00 175.17 178.20 1bal n ALA 27 N 1.50 2.03 -0.33 5.23 0.00 -1.26 -3.25 120.51 124.43 1bal n ALA 27 Ca -0.12 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.29 1bal n ALA 27 Cb 0.52 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.88 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 0.77 1.86 0.00 4.64 -2.04 0.18 113.55 118.96 1bal h SER 28 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1bal h SER 28 Cb 0.15 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1bal h SER 28 CO 0.00 0.41 -0.01 0.00 -0.87 0.00 0.00 176.83 176.35 1bal h ALA 29 N 1.52 0.99 -1.32 5.18 0.00 -1.99 -3.45 119.26 120.19 1bal h ALA 29 Ca 0.46 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.92 1bal h ALA 29 Cb 0.49 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.31 1bal h ALA 29 CO -0.28 0.00 -0.12 0.42 0.00 0.00 0.00 179.25 179.27 1bal s ILE 30 N -3.18 2.57 -0.04 0.00 -1.09 0.63 -5.12 121.20 114.97 1bal s ILE 30 Ca 0.08 -0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1bal s ILE 30 Cb 0.07 -2.69 0.02 0.00 -1.58 0.00 0.00 42.46 38.28 1bal s ILE 30 CO 0.65 0.00 0.08 -0.54 -1.23 0.00 0.00 174.94 173.90 1bal s LYS 31 N -4.63 0.05 -1.06 2.79 1.02 -1.26 -4.91 119.74 111.74 1bal s LYS 31 Ca 0.59 0.21 -0.13 0.00 0.02 0.00 0.00 55.97 56.66 1bal s LYS 31 Cb -0.08 -0.11 0.21 0.00 -0.52 0.00 0.00 37.83 37.33 1bal s LYS 31 CO 0.37 -0.10 1.14 0.20 -0.92 0.00 0.00 175.35 176.04 1bal s GLY 32 N 0.68 2.69 -0.22 -3.33 0.00 -1.26 -4.78 107.32 101.10 1bal s GLY 32 Ca -0.05 -3.45 0.00 0.00 0.00 0.00 0.00 44.72 41.22 1bal s GLY 32 CO -0.03 1.63 1.71 -1.30 0.00 0.00 0.00 173.10 175.11 1bal n THR 33 N 3.91 2.27 -0.76 0.90 -2.24 -1.26 -4.23 114.28 112.88 1bal n THR 33 Ca 0.26 -1.11 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 1bal n THR 33 Cb 0.43 -1.10 0.24 0.00 -2.10 0.00 0.00 70.33 67.80 1bal n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bal s GLY 34 N 0.34 1.52 0.13 3.38 0.00 -1.25 -4.82 107.32 106.61 1bal s GLY 34 Ca 0.24 -0.48 0.11 0.00 0.00 0.00 0.00 44.72 44.58 1bal s GLY 34 CO 0.02 0.30 1.34 -0.62 0.00 0.00 0.00 173.10 174.14 1bal n VAL 35 N -4.88 1.45 -2.72 1.40 0.31 -1.26 -2.84 118.33 109.79 1bal n VAL 35 Ca 0.07 0.52 -0.03 0.00 -0.01 0.00 0.00 64.34 64.88 1bal n VAL 35 Cb 0.57 -1.48 0.09 0.00 -0.91 0.00 0.00 33.84 32.11 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N -1.09 1.77 3.98 2.92 0.00 -1.26 -4.94 105.19 106.57 1bal n GLY 36 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.89 1.03 3.58 -0.02 0.00 -1.13 -4.89 105.19 102.88 1bal n GLY 37 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.17 2.81 -0.29 1.61 0.52 -1.26 -4.62 118.95 117.55 1bal s ARG 38 Ca 0.00 1.81 -0.35 0.00 -0.52 0.00 0.00 55.73 56.67 1bal s ARG 38 Cb 0.00 -4.44 -0.12 0.00 0.52 0.00 0.00 34.95 30.92 1bal s ARG 38 CO 0.00 -2.47 2.09 -0.11 0.02 0.00 0.00 175.30 174.83 1bal n LEU 39 N 12.99 2.44 0.00 2.53 7.94 -1.26 -3.92 117.00 137.72 1bal n LEU 39 Ca 0.32 0.57 -0.19 0.00 -1.11 0.00 0.00 56.01 55.60 1bal n LEU 39 Cb 0.48 -1.28 0.10 0.00 0.53 0.00 0.00 43.42 43.24 1bal n LEU 39 CO 0.68 -0.59 0.45 0.35 -1.11 0.00 0.00 177.39 177.17 1bal n THR 40 N 6.60 0.00 0.69 1.96 -2.24 -1.26 -5.00 114.28 115.03 1bal n THR 40 Ca 0.36 -1.29 0.12 0.00 -2.27 0.00 0.00 64.05 60.96 1bal n THR 40 Cb 0.24 -0.97 0.10 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.48 0.21 0.00 -0.78 0.63 -1.26 -3.77 116.66 109.21 1bal n ARG 41 Ca 0.13 0.02 0.12 0.00 -0.92 0.00 0.00 57.85 57.20 1bal n ARG 41 Cb 0.48 -1.59 0.58 0.00 0.45 0.00 0.00 32.46 32.37 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 -1.87 0.22 -0.06 -0.14 0.00 -1.26 -1.84 120.64 115.69 1bal n GLU 42 Ca 0.03 0.07 -0.15 0.00 0.00 0.00 0.00 57.16 57.11 1bal n GLU 42 Cb 0.41 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.21 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bal n ASP 43 N -1.36 1.31 0.03 4.31 8.00 -1.25 -4.20 116.55 123.39 1bal n ASP 43 Ca 0.09 0.11 0.12 0.00 0.71 0.00 0.00 54.79 55.82 1bal n ASP 43 Cb 0.22 -0.12 0.27 0.00 -0.02 0.00 0.00 41.12 41.47 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 -3.15 0.17 -0.13 2.53 0.31 -1.18 -3.97 118.33 112.92 1bal n VAL 44 Ca -0.33 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 1bal n VAL 44 Cb 1.06 -0.03 -0.01 0.00 -0.91 0.00 0.00 33.84 33.95 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 0.58 -2.06 5.55 4.81 -1.53 -2.81 114.58 119.12 1bal h GLU 45 Ca 0.00 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1bal h GLU 45 Cb 0.61 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1bal h GLU 45 CO 0.00 0.59 -0.12 1.63 -0.73 0.00 0.00 179.01 180.38 1bal n LYS 46 N -4.63 1.24 0.00 1.92 5.02 -1.25 -3.28 118.16 117.17 1bal n LYS 46 Ca -0.01 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1bal n LYS 46 Cb 0.17 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 2.00 -0.39 0.00 2.13 -0.00 -1.07 -5.09 115.22 112.80 1bal n HIS 47 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1bal n HIS 47 Cb 0.59 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.62 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 -1.82 0.00 0.00 0.27 4.77 -1.15 -5.11 117.00 113.95 1bal n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bal n LEU 48 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bal n LEU 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1bal n ALA 49 N -3.00 0.00 -1.98 -1.18 0.00 -1.26 -5.12 120.51 107.97 1bal n ALA 49 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1bal n ALA 49 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1bal n ALA 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bal s LYS 50 N 2.21 2.16 0.00 0.00 1.02 -1.26 -5.03 119.74 118.84 1bal s LYS 50 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1bal s LYS 50 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1bal s LYS 50 CO 0.00 -1.03 0.00 0.00 -0.92 0.00 0.00 175.35 173.40