#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 0.00 -1.99 -3.48 0.00 -1.26 -5.17 120.51 108.61 1bal n ALA 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1bal n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1bal n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bal s SER 3 N 1.97 5.34 0.02 0.00 0.15 -1.26 -5.01 113.70 114.91 1bal s SER 3 Ca 0.00 -0.16 0.23 0.00 0.70 0.00 0.00 55.95 56.73 1bal s SER 3 Cb 0.00 -0.76 0.19 0.00 -1.71 0.00 0.00 66.02 63.74 1bal s SER 3 CO 0.00 -1.07 1.17 0.18 1.20 0.00 0.00 173.24 174.73 1bal n LEU 4 N -2.22 0.66 -3.71 3.45 4.77 -1.26 -4.86 117.00 113.84 1bal n LEU 4 Ca 0.08 -0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1bal n LEU 4 Cb 0.60 -0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1bal n LEU 4 CO 0.43 0.13 -0.12 -0.70 -1.33 0.00 0.00 177.39 175.81 1bal s GLU 5 N -3.06 0.20 0.00 3.23 2.12 -1.26 -5.00 118.70 114.93 1bal s GLU 5 Ca 0.08 0.61 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1bal s GLU 5 Cb 0.16 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1bal s GLU 5 CO 0.77 -0.20 0.00 -0.85 -0.54 0.00 0.00 175.26 174.44 1bal n GLU 6 N 4.57 0.00 -0.34 4.30 0.28 -1.26 -5.10 120.64 123.09 1bal n GLU 6 Ca -0.19 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.69 1bal n GLU 6 Cb 0.52 -0.25 0.10 0.00 1.43 0.00 0.00 31.44 33.24 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bal n GLN 7 N -0.53 -2.12 0.00 3.44 1.13 -1.26 -4.78 117.38 113.27 1bal n GLN 7 Ca 0.00 -0.66 0.03 0.00 -1.94 0.00 0.00 57.00 54.43 1bal n GLN 7 Cb 0.00 -0.66 0.16 0.00 0.11 0.00 0.00 30.24 29.86 1bal n GLN 7 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1bal n ASN 8 N -3.81 0.00 -3.84 1.08 2.04 -1.26 -4.76 115.26 104.71 1bal n ASN 8 Ca 0.06 -0.11 -0.23 0.00 -0.44 0.00 0.00 54.58 53.86 1bal n ASN 8 Cb 0.23 -0.05 0.13 0.00 -2.53 0.00 0.00 39.78 37.55 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1bal n ASN 9 N -1.05 -2.76 -1.64 0.53 2.85 -1.26 -5.03 115.26 106.90 1bal n ASN 9 Ca 0.04 -0.24 -0.04 0.00 -0.11 0.00 0.00 54.58 54.23 1bal n ASN 9 Cb 0.02 -0.76 -0.01 0.00 1.24 0.00 0.00 39.78 40.28 1bal n ASN 9 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1bal n ASP 10 N -0.38 -0.49 -3.66 1.20 2.03 -1.26 -4.99 116.55 109.01 1bal n ASP 10 Ca 0.03 -1.60 -0.18 0.00 0.52 0.00 0.00 54.79 53.56 1bal n ASP 10 Cb 0.45 0.89 -0.16 0.00 -0.72 0.00 0.00 41.12 41.58 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal s ALA 11 N -1.87 -0.07 0.70 -1.67 0.00 -1.26 -5.15 121.76 112.44 1bal s ALA 11 Ca 0.09 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1bal s ALA 11 Cb -0.01 -0.80 0.13 0.00 0.00 0.00 0.00 23.12 22.44 1bal s ALA 11 CO 0.06 -0.59 0.96 -0.51 0.00 0.00 0.00 175.76 175.68 1bal s LEU 12 N 2.27 2.98 -0.41 0.00 1.43 -1.26 -5.07 118.68 118.61 1bal s LEU 12 Ca 0.04 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 1bal s LEU 12 Cb -0.12 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1bal s LEU 12 CO -0.05 -1.79 0.30 -0.44 0.23 0.00 0.00 176.35 174.60 1bal s SER 13 N -4.76 6.09 0.00 2.29 0.01 -1.26 -4.92 113.70 111.15 1bal s SER 13 Ca 0.66 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1bal s SER 13 Cb -0.05 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 64.04 1bal s SER 13 CO 0.43 -0.47 0.98 -2.65 0.41 0.00 0.00 173.24 171.95 1bal n PRO 14 N 5.15 0.00 -0.77 12.44 -0.02 -1.26 -0.27 135.00 150.27 1bal n PRO 14 Ca -0.11 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1bal n PRO 14 Cb 0.47 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.83 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.47 3.52 0.19 3.55 0.00 -1.26 -4.30 120.51 120.74 1bal n ALA 15 Ca 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 53.44 51.73 1bal n ALA 15 Cb 0.00 -1.07 0.28 0.00 0.00 0.00 0.00 19.45 18.66 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 4.06 0.64 0.17 0.00 2.10 -1.05 -2.88 117.51 120.55 1bal h ILE 16 Ca 0.00 -1.51 -0.01 0.00 1.08 0.00 0.00 64.86 64.42 1bal h ILE 16 Cb 1.75 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 39.50 1bal h ILE 16 CO 0.37 0.31 -0.08 0.03 -1.08 0.00 0.00 178.15 177.70 1bal h ARG 17 N 0.00 -0.22 0.00 2.19 2.47 -1.80 -3.15 114.38 113.86 1bal h ARG 17 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1bal h ARG 17 Cb 0.99 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1bal h ARG 17 CO 0.04 -0.15 0.00 0.54 0.56 0.00 0.00 179.97 180.96 1bal n ARG 18 N -3.63 0.02 0.24 0.04 5.12 -1.25 -1.92 116.66 115.27 1bal n ARG 18 Ca -0.03 0.20 0.07 0.00 -1.93 0.00 0.00 57.85 56.16 1bal n ARG 18 Cb 0.09 -1.50 0.57 0.00 -1.16 0.00 0.00 32.46 30.46 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 -0.11 0.55 5.85 -1.46 -2.30 115.31 117.84 1bal h LEU 19 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1bal h LEU 19 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1bal h LEU 19 CO 0.00 0.12 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.03 1bal h LEU 20 N 0.00 0.30 0.00 2.25 3.38 -1.56 -2.53 115.31 117.15 1bal h LEU 20 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1bal h LEU 20 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1bal h LEU 20 CO 0.02 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1bal n ALA 21 N -2.41 2.26 -0.10 1.53 0.00 -1.00 0.16 120.51 120.95 1bal n ALA 21 Ca -0.07 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1bal n ALA 21 Cb 0.34 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N -0.99 0.65 0.00 0.00 4.07 -0.90 -4.56 120.64 118.92 1bal n GLU 22 Ca 0.15 0.25 0.03 0.00 -0.06 0.00 0.00 57.16 57.53 1bal n GLU 22 Cb 0.07 -1.59 0.01 0.00 -0.06 0.00 0.00 31.44 29.87 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1bal n HIS 23 N -3.66 0.00 -3.14 4.31 8.25 -0.98 -5.05 115.22 114.94 1bal n HIS 23 Ca -0.43 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 56.82 1bal n HIS 23 Cb 0.95 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.04 -6.89 -3.92 0.41 4.05 0.42 -5.02 115.26 104.27 1bal n ASN 24 Ca 0.03 0.26 -0.10 0.00 0.45 0.00 0.00 54.58 55.22 1bal n ASN 24 Cb 0.15 -3.73 -0.11 0.00 1.23 0.00 0.00 39.78 37.32 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bal s LEU 25 N -2.49 1.96 -0.68 1.20 1.43 -1.24 -5.06 118.68 113.80 1bal s LEU 25 Ca 0.30 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 1bal s LEU 25 Cb -0.05 0.25 0.12 0.00 0.03 0.00 0.00 46.19 46.54 1bal s LEU 25 CO 0.80 -0.23 0.79 1.51 0.23 0.00 0.00 176.35 179.45 1bal s ASP 26 N -1.01 6.33 0.00 2.29 -4.77 -1.26 -4.86 116.67 113.39 1bal s ASP 26 Ca -0.11 -1.69 0.00 0.00 -3.30 0.00 0.00 52.55 47.45 1bal s ASP 26 Cb -0.07 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 1bal s ASP 26 CO -0.00 -1.05 0.83 0.00 0.70 0.00 0.00 175.17 175.66 1bal n ALA 27 N 6.09 0.84 0.34 2.11 0.00 -1.26 -0.53 120.51 128.10 1bal n ALA 27 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1bal n ALA 27 Cb 0.44 -0.79 0.58 0.00 0.00 0.00 0.00 19.45 19.68 1bal n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bal h SER 28 N 0.00 0.00 0.15 0.00 0.02 -2.03 -2.95 113.55 108.74 1bal h SER 28 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1bal h SER 28 Cb 0.18 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 1bal h SER 28 CO 0.00 0.00 -2.18 0.00 -1.14 0.00 0.00 176.83 173.51 1bal n ALA 29 N -1.93 1.49 -1.35 3.77 0.00 0.31 -4.95 120.51 117.84 1bal n ALA 29 Ca 0.01 -1.15 -0.31 0.00 0.00 0.00 0.00 53.44 51.99 1bal n ALA 29 Cb 0.27 -0.39 0.08 0.00 0.00 0.00 0.00 19.45 19.41 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -2.52 3.44 -1.04 0.00 -1.09 -1.11 -4.87 121.20 114.00 1bal s ILE 30 Ca -0.09 0.50 -0.23 0.00 -2.23 0.00 0.00 60.65 58.59 1bal s ILE 30 Cb 0.07 -3.03 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 1bal s ILE 30 CO 0.82 -0.58 1.90 -0.54 -1.23 0.00 0.00 174.94 175.31 1bal s LYS 31 N -4.78 2.68 -0.27 2.79 1.02 -1.26 -4.72 119.74 115.19 1bal s LYS 31 Ca 0.62 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.88 1bal s LYS 31 Cb -0.17 -5.18 0.50 0.00 -0.52 0.00 0.00 37.83 32.47 1bal s LYS 31 CO 0.53 -3.47 1.56 0.41 -0.92 0.00 0.00 175.35 173.46 1bal n GLY 32 N 6.38 3.38 2.44 -3.33 0.00 -1.26 -4.68 105.19 108.12 1bal n GLY 32 Ca 0.42 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N -0.32 4.46 -0.07 2.61 -2.24 -1.26 -3.90 114.28 113.55 1bal n THR 33 Ca 0.35 -3.20 -0.04 0.00 -2.27 0.00 0.00 64.05 58.89 1bal n THR 33 Cb 1.20 -2.46 0.04 0.00 -2.10 0.00 0.00 70.33 67.01 1bal n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bal n GLY 34 N 3.12 -2.57 3.11 3.38 0.00 -0.12 -4.60 105.19 107.50 1bal n GLY 34 Ca 0.69 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N -3.12 2.07 0.00 1.61 0.31 -1.26 -2.59 118.33 115.35 1bal n VAL 35 Ca 0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 64.34 62.50 1bal n VAL 35 Cb 0.08 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 30.67 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 4.61 1.34 0.00 2.92 0.00 -1.26 -4.82 105.19 107.97 1bal n GLY 36 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 1.16 3.95 -0.02 0.00 -1.07 -5.13 105.19 104.09 1bal n GLY 37 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.45 -0.59 1.61 0.52 -1.25 -4.66 118.95 118.02 1bal s ARG 38 Ca 0.00 -0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 1bal s ARG 38 Cb 0.00 -2.94 0.09 0.00 0.52 0.00 0.00 34.95 32.62 1bal s ARG 38 CO 0.00 0.49 0.76 -1.17 0.02 0.00 0.00 175.30 175.40 1bal s LEU 39 N -3.39 5.05 0.00 2.53 2.96 -1.25 -0.95 118.68 123.63 1bal s LEU 39 Ca 0.35 -1.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 1bal s LEU 39 Cb -0.11 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1bal s LEU 39 CO 0.29 -1.16 0.00 0.35 -1.32 0.00 0.00 176.35 174.50 1bal n THR 40 N 5.67 0.00 -0.02 3.68 -2.24 -1.26 -5.01 114.28 115.10 1bal n THR 40 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1bal n THR 40 Cb 0.44 -1.85 -0.13 0.00 -2.10 0.00 0.00 70.33 66.69 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 -0.41 0.66 0.00 -0.78 0.63 -1.26 -4.04 116.66 111.46 1bal n ARG 41 Ca 0.00 0.01 0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1bal n ARG 41 Cb 0.00 -1.62 0.09 0.00 0.45 0.00 0.00 32.46 31.38 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -2.64 0.62 -0.09 -0.14 -0.58 -1.26 -2.27 120.64 114.28 1bal n GLU 42 Ca -0.15 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.49 1bal n GLU 42 Cb 0.85 -1.08 -0.03 0.00 -0.57 0.00 0.00 31.44 30.61 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N -0.58 1.89 0.11 1.62 8.00 -1.26 -4.15 116.55 122.19 1bal n ASP 43 Ca 0.02 0.44 -0.04 0.00 0.71 0.00 0.00 54.79 55.92 1bal n ASP 43 Cb 0.01 -0.80 0.10 0.00 -0.02 0.00 0.00 41.12 40.41 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N -1.00 1.47 0.57 2.53 2.07 -1.78 -3.30 116.25 116.81 1bal h VAL 44 Ca -0.07 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1bal h VAL 44 Cb 0.89 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1bal h VAL 44 CO -0.04 0.67 -0.51 -0.08 0.02 0.00 0.00 177.57 177.63 1bal h GLU 45 N 0.05 -1.02 -0.22 1.57 4.81 -1.69 0.02 114.58 118.11 1bal h GLU 45 Ca -0.01 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1bal h GLU 45 Cb 1.23 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.84 1bal h GLU 45 CO 0.10 -0.68 0.61 -0.22 -0.73 0.00 0.00 179.01 178.09 1bal h LYS 46 N -1.06 0.00 -0.36 1.92 3.64 -1.72 0.58 116.57 119.57 1bal h LYS 46 Ca -0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 1bal h LYS 46 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1bal h LYS 46 CO -0.03 0.00 -0.18 1.25 -2.27 0.00 0.00 179.45 178.22 1bal h HIS 47 N 0.00 0.75 -1.54 1.91 2.76 -1.07 -3.26 115.15 114.69 1bal h HIS 47 Ca 0.10 -0.15 -0.76 0.00 -2.20 0.00 0.00 60.37 57.36 1bal h HIS 47 Cb 1.32 -0.19 -0.17 0.00 1.55 0.00 0.00 27.41 29.93 1bal h HIS 47 CO 0.00 0.81 1.93 1.28 -1.30 0.00 0.00 177.93 180.65 1bal n LEU 48 N -4.14 6.98 -4.30 0.26 4.77 0.20 -5.00 117.00 115.76 1bal n LEU 48 Ca 0.00 -4.80 -0.34 0.00 -0.03 0.00 0.00 56.01 50.85 1bal n LEU 48 Cb 0.39 -1.42 0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1bal n LEU 48 CO 0.43 1.60 -0.47 0.00 -1.33 0.00 0.00 177.39 177.62 1bal n ALA 49 N 2.93 -3.53 -2.54 -1.18 0.00 -1.23 -4.96 120.51 110.00 1bal n ALA 49 Ca 0.43 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.77 1bal n ALA 49 Cb 0.33 -1.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1bal n ALA 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bal s LYS 50 N -3.28 3.66 0.00 0.00 2.20 -1.26 -5.15 119.74 115.91 1bal s LYS 50 Ca 0.53 0.02 0.12 0.00 -0.36 0.00 0.00 55.97 56.28 1bal s LYS 50 Cb -0.17 -2.69 0.70 0.00 -1.51 0.00 0.00 37.83 34.16 1bal s LYS 50 CO 0.69 0.29 1.14 0.00 -0.36 0.00 0.00 175.35 177.11