#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 -1.76 2.98 0.00 -1.26 -5.13 120.51 115.35 1bal n ALA 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1bal n ALA 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 1.62 5.51 0.08 0.00 0.15 -1.26 -4.94 113.70 114.86 1bal s SER 3 Ca 0.00 2.48 -0.31 0.00 0.70 0.00 0.00 55.95 58.82 1bal s SER 3 Cb 0.00 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.55 1bal s SER 3 CO 0.00 -1.38 1.49 0.25 1.20 0.00 0.00 173.24 174.79 1bal h LEU 4 N 1.42 -1.29 -8.22 3.45 7.12 -2.04 -3.39 115.31 112.35 1bal h LEU 4 Ca -0.50 0.12 -0.62 0.00 0.13 0.00 0.00 57.88 57.00 1bal h LEU 4 Cb 1.28 0.44 -0.04 0.00 -0.53 0.00 0.00 40.66 41.81 1bal h LEU 4 CO 0.57 -0.55 1.53 -0.62 -0.13 0.00 0.00 178.44 179.23 1bal n GLU 5 N -5.12 0.42 0.05 1.25 1.02 -1.26 -4.10 120.64 112.90 1bal n GLU 5 Ca -0.09 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1bal n GLU 5 Cb 0.39 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N 8.19 0.00 0.00 3.49 2.13 -1.26 -5.08 120.64 128.11 1bal n GLU 6 Ca 0.53 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1bal n GLU 6 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.84 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N -2.66 3.53 -2.67 5.31 3.00 -1.26 -4.96 117.38 117.68 1bal n GLN 7 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1bal n GLN 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1bal n ASN 8 N 0.00 -1.83 -3.64 1.08 2.85 -1.26 -5.06 115.26 107.40 1bal n ASN 8 Ca 0.00 1.31 -0.08 0.00 -0.11 0.00 0.00 54.58 55.70 1bal n ASN 8 Cb 0.00 -4.87 -0.07 0.00 1.24 0.00 0.00 39.78 36.08 1bal n ASN 8 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1bal s ASN 9 N -0.70 -0.39 0.00 1.20 2.47 -1.26 -5.16 114.94 111.10 1bal s ASN 9 Ca -0.23 0.75 0.00 0.00 0.42 0.00 0.00 52.86 53.79 1bal s ASN 9 Cb 0.02 0.75 0.00 0.00 -1.45 0.00 0.00 41.25 40.57 1bal s ASN 9 CO 0.71 -0.14 0.00 -0.67 -3.72 0.00 0.00 177.10 173.28 1bal n ASP 10 N 2.06 0.00 -3.09 -4.21 2.03 -1.26 -4.83 116.55 107.25 1bal n ASP 10 Ca -0.12 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.84 1bal n ASP 10 Cb 0.56 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal n ALA 11 N -3.00 6.67 -2.84 -1.67 0.00 -1.26 -4.88 120.51 113.54 1bal n ALA 11 Ca 0.00 -3.67 -0.15 0.00 0.00 0.00 0.00 53.44 49.62 1bal n ALA 11 Cb 0.00 -2.53 -0.14 0.00 0.00 0.00 0.00 19.45 16.78 1bal n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bal s LEU 12 N -2.14 1.97 0.07 0.00 1.43 -1.26 -5.05 118.68 113.71 1bal s LEU 12 Ca 0.56 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1bal s LEU 12 Cb 0.26 -0.19 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 1bal s LEU 12 CO -0.14 0.04 0.14 -0.94 0.23 0.00 0.00 176.35 175.67 1bal s SER 13 N -0.03 5.89 0.07 2.29 1.04 -1.26 -5.02 113.70 116.68 1bal s SER 13 Ca 0.01 0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.32 1bal s SER 13 Cb -0.02 -1.69 -0.14 0.00 0.10 0.00 0.00 66.02 64.27 1bal s SER 13 CO -0.00 0.17 1.60 1.55 0.98 0.00 0.00 173.24 177.54 1bal h PRO 14 N 3.19 0.11 0.00 4.02 0.13 -2.02 -2.32 132.00 135.11 1bal h PRO 14 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bal h PRO 14 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1bal h PRO 14 CO 0.70 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 1bal n ALA 15 N -2.20 1.77 -0.00 -0.56 0.00 -1.26 -3.31 120.51 114.95 1bal n ALA 15 Ca -0.06 -0.06 0.22 0.00 0.00 0.00 0.00 53.44 53.53 1bal n ALA 15 Cb 0.11 -1.23 0.55 0.00 0.00 0.00 0.00 19.45 18.88 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 0.13 0.14 0.00 2.10 -1.82 0.67 117.51 118.73 1bal h ILE 16 Ca 0.00 0.00 -0.33 0.00 1.08 0.00 0.00 64.86 65.61 1bal h ILE 16 Cb 0.17 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1bal h ILE 16 CO 0.00 0.00 -1.73 0.03 -1.08 0.00 0.00 178.15 175.37 1bal h ARG 17 N 0.00 0.30 -0.95 2.19 3.08 -1.78 -3.34 114.38 113.88 1bal h ARG 17 Ca 0.29 -0.52 -0.35 0.00 0.07 0.00 0.00 59.98 59.47 1bal h ARG 17 Cb 1.96 0.19 -0.21 0.00 0.08 0.00 0.00 29.97 31.99 1bal h ARG 17 CO -0.00 1.25 0.45 0.54 -1.07 0.00 0.00 179.97 181.13 1bal n ARG 18 N -3.67 2.37 -0.05 0.04 1.74 0.19 -4.15 116.66 113.13 1bal n ARG 18 Ca -0.28 -2.46 -0.06 0.00 -0.77 0.00 0.00 57.85 54.28 1bal n ARG 18 Cb 1.01 -1.99 -0.14 0.00 -1.02 0.00 0.00 32.46 30.32 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N -0.62 0.37 0.09 0.55 7.94 0.10 -3.80 117.00 121.63 1bal n LEU 19 Ca 0.45 0.17 -0.20 0.00 -1.11 0.00 0.00 56.01 55.32 1bal n LEU 19 Cb 1.39 0.30 -0.15 0.00 0.53 0.00 0.00 43.42 45.49 1bal n LEU 19 CO 0.46 0.37 -0.33 -0.07 -1.11 0.00 0.00 177.39 176.71 1bal h LEU 20 N 0.00 0.57 0.00 -1.96 3.38 -1.81 -3.24 115.31 112.25 1bal h LEU 20 Ca -0.37 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 56.88 1bal h LEU 20 Cb 1.98 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1bal h LEU 20 CO 0.04 1.59 0.00 0.00 0.09 0.00 0.00 178.44 180.16 1bal n ALA 21 N -2.71 2.62 0.09 1.53 0.00 -1.26 0.61 120.51 121.38 1bal n ALA 21 Ca -0.18 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.20 1bal n ALA 21 Cb 1.07 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.96 0.60 0.00 0.00 2.13 -1.22 -4.52 120.64 116.65 1bal n GLU 22 Ca 0.21 -0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1bal n GLU 22 Cb 0.10 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.27 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bal n HIS 23 N -2.22 0.00 -3.89 4.31 -0.00 -1.14 -5.05 115.22 107.22 1bal n HIS 23 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.36 1bal n HIS 23 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.54 1bal n HIS 23 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1bal n ASN 24 N -0.23 -4.32 -4.85 0.41 0.23 0.20 -4.90 115.26 101.79 1bal n ASN 24 Ca 0.00 -1.08 -0.37 0.00 -0.53 0.00 0.00 54.58 52.60 1bal n ASN 24 Cb 0.05 -1.52 -0.06 0.00 -2.08 0.00 0.00 39.78 36.17 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1bal s LEU 25 N -5.90 4.43 -0.52 -4.53 1.43 -1.26 -5.04 118.68 107.30 1bal s LEU 25 Ca 0.19 0.87 -0.24 0.00 -1.03 0.00 0.00 54.13 53.92 1bal s LEU 25 Cb -0.11 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.49 1bal s LEU 25 CO 0.90 0.29 0.91 -0.62 0.23 0.00 0.00 176.35 178.06 1bal s ASP 26 N -1.28 6.38 0.00 2.29 -1.08 -1.26 -4.87 116.67 116.85 1bal s ASP 26 Ca 0.26 -0.22 0.18 0.00 -0.52 0.00 0.00 52.55 52.25 1bal s ASP 26 Cb -0.15 -2.43 0.96 0.00 -1.46 0.00 0.00 42.92 39.83 1bal s ASP 26 CO 0.14 -1.14 1.53 0.00 0.52 0.00 0.00 175.17 176.22 1bal n ALA 27 N 7.28 2.02 -0.25 3.66 0.00 -1.26 -3.33 120.51 128.63 1bal n ALA 27 Ca 0.03 -0.09 0.28 0.00 0.00 0.00 0.00 53.44 53.65 1bal n ALA 27 Cb 0.48 -1.29 0.66 0.00 0.00 0.00 0.00 19.45 19.29 1bal n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bal h SER 28 N 0.00 0.15 0.37 0.00 0.87 -1.97 0.40 113.55 113.36 1bal h SER 28 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1bal h SER 28 Cb 0.13 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1bal h SER 28 CO 0.00 0.04 -1.44 0.00 -0.53 0.00 0.00 176.83 174.90 1bal n ALA 29 N -2.65 2.98 -2.66 6.23 0.00 -1.21 -4.89 120.51 118.31 1bal n ALA 29 Ca 0.22 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1bal n ALA 29 Cb 0.99 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.37 5.22 0.00 0.00 -1.09 0.14 -5.09 121.20 117.02 1bal s ILE 30 Ca -0.02 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.03 1bal s ILE 30 Cb 0.13 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1bal s ILE 30 CO 0.85 0.50 0.00 2.29 -1.23 0.00 0.00 174.94 177.35 1bal n LYS 31 N 2.60 0.13 -3.38 2.79 2.85 -1.26 -4.84 118.16 117.05 1bal n LYS 31 Ca -0.14 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.06 1bal n LYS 31 Cb 0.53 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.84 1bal n LYS 31 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1bal s GLY 32 N -1.82 -0.53 -0.06 2.58 0.00 -1.26 -4.89 107.32 101.34 1bal s GLY 32 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 45.94 1bal s GLY 32 CO 0.00 2.77 -0.09 -1.30 0.00 0.00 0.00 173.10 174.48 1bal n THR 33 N 5.39 0.56 -1.38 0.90 -2.24 -1.24 -4.20 114.28 112.06 1bal n THR 33 Ca -0.04 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 1bal n THR 33 Cb 0.50 -1.84 -0.00 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.62 -0.28 0.18 3.38 0.00 -0.67 0.11 105.19 109.53 1bal n GLY 34 Ca -0.04 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.02 0.91 -0.49 1.61 2.07 -1.97 -3.35 116.25 115.00 1bal h VAL 35 Ca 0.00 -1.61 -0.27 0.00 0.82 0.00 0.00 66.70 65.64 1bal h VAL 35 Cb 0.02 1.98 -0.31 0.00 -1.52 0.00 0.00 31.29 31.46 1bal h VAL 35 CO 0.00 0.39 -0.85 0.61 0.02 0.00 0.00 177.57 177.74 1bal n GLY 36 N 0.31 1.61 1.85 2.17 0.00 -1.23 -4.93 105.19 104.97 1bal n GLY 36 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.53 0.48 3.83 -0.02 0.00 0.30 -5.04 105.19 104.21 1bal n GLY 37 Ca 0.02 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -3.35 3.77 0.08 1.61 6.06 -1.03 -4.67 118.95 121.42 1bal s ARG 38 Ca 0.00 0.08 -0.30 0.00 -2.50 0.00 0.00 55.73 53.01 1bal s ARG 38 Cb 0.00 -3.25 -0.06 0.00 0.06 0.00 0.00 34.95 31.70 1bal s ARG 38 CO 0.00 0.64 1.12 -1.17 -2.50 0.00 0.00 175.30 173.39 1bal s LEU 39 N -0.73 4.41 0.00 -0.88 2.96 -1.26 -1.66 118.68 121.51 1bal s LEU 39 Ca 0.18 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1bal s LEU 39 Cb -0.14 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1bal s LEU 39 CO 0.07 -0.34 0.00 0.35 -1.32 0.00 0.00 176.35 175.10 1bal n THR 40 N 3.43 0.00 0.65 3.68 -2.24 -1.26 -4.97 114.28 113.57 1bal n THR 40 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1bal n THR 40 Cb 0.47 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.00 0.24 -0.05 -0.78 0.00 -1.26 -3.07 116.66 111.74 1bal n ARG 41 Ca 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 57.85 58.01 1bal n ARG 41 Cb 0.00 -1.73 0.04 0.00 0.00 0.00 0.00 32.46 30.77 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1bal n GLU 42 N -2.12 1.22 0.00 -0.14 1.02 -1.26 -2.84 120.64 116.52 1bal n GLU 42 Ca 0.05 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1bal n GLU 42 Cb 0.42 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bal n ASP 43 N -0.22 0.41 0.03 1.62 9.92 -1.20 -4.80 116.55 122.30 1bal n ASP 43 Ca 0.03 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.25 1bal n ASP 43 Cb 0.10 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 40.77 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N 0.00 1.28 -0.41 2.53 2.07 -1.67 -2.56 116.25 117.49 1bal h VAL 44 Ca 0.00 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.27 1bal h VAL 44 Cb 0.49 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1bal h VAL 44 CO 0.00 0.43 0.33 -0.08 0.02 0.00 0.00 177.57 178.27 1bal h GLU 45 N 0.38 0.00 -0.51 1.57 4.81 -1.79 0.29 114.58 119.32 1bal h GLU 45 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1bal h GLU 45 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1bal h GLU 45 CO 0.06 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 1bal n LYS 46 N -4.18 0.80 0.00 1.92 5.02 -0.96 -2.49 118.16 118.27 1bal n LYS 46 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1bal n LYS 46 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.12 0.00 -0.09 2.13 -0.00 0.10 -4.90 115.22 112.34 1bal n HIS 47 Ca 0.00 -0.01 -0.10 0.00 0.46 0.00 0.00 57.72 58.07 1bal n HIS 47 Cb 0.13 -0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 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 -0.01 1.91 0.00 0.27 4.77 -1.04 -5.11 117.00 117.79 1bal n LEU 48 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1bal n LEU 48 Cb 0.30 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1bal n LEU 48 CO 0.00 -0.22 0.00 0.00 -1.33 0.00 0.00 177.39 175.84 1bal n ALA 49 N -4.24 0.00 -3.25 -1.18 0.00 -1.25 -5.10 120.51 105.49 1bal n ALA 49 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1bal n ALA 49 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 3.87 0.84 0.00 0.00 -0.14 -1.26 -4.88 119.74 118.18 1bal s LYS 50 Ca 0.00 -1.47 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 1bal s LYS 50 Cb 0.00 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.25 1bal s LYS 50 CO 0.00 -1.31 0.00 0.00 -0.76 0.00 0.00 175.35 173.28