#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 3.57 0.00 -0.72 0.00 -1.26 -4.96 121.76 118.39 1bal s ALA 2 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1bal s ALA 2 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1bal s ALA 2 CO 0.00 -0.59 0.00 0.43 0.00 0.00 0.00 175.76 175.60 1bal n SER 3 N 5.15 0.00 -0.13 0.00 7.64 -1.26 -5.01 113.62 120.02 1bal n SER 3 Ca -0.04 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.76 1bal n SER 3 Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1bal n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1bal h LEU 4 N 0.00 0.48-10.15 -3.43 -0.00 -2.09 -3.42 115.31 96.69 1bal h LEU 4 Ca 0.00 -0.06 -0.50 0.00 -0.00 0.00 0.00 57.88 57.32 1bal h LEU 4 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 1bal h LEU 4 CO 0.00 0.40 -0.29 -1.83 -0.00 0.00 0.00 178.44 176.72 1bal s GLU 5 N -5.96 3.50 -0.32 1.13 -1.05 -1.26 -5.08 118.70 109.65 1bal s GLU 5 Ca -0.13 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 1bal s GLU 5 Cb 0.10 -2.77 0.16 0.00 -0.44 0.00 0.00 34.13 31.18 1bal s GLU 5 CO 0.73 0.30 0.40 -1.21 0.95 0.00 0.00 175.26 176.43 1bal s GLU 6 N -3.81 0.50 0.00 -4.83 2.02 -1.26 -4.82 118.70 106.50 1bal s GLU 6 Ca 0.38 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1bal s GLU 6 Cb -0.10 -0.46 0.00 0.00 0.10 0.00 0.00 34.13 33.66 1bal s GLU 6 CO 0.32 -1.10 0.00 1.04 0.02 0.00 0.00 175.26 175.54 1bal n GLN 7 N 4.93 1.90 -1.42 1.61 6.02 -1.26 -4.82 117.38 124.34 1bal n GLN 7 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 1bal n GLN 7 Cb 0.48 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.68 1bal n GLN 7 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1bal n ASN 8 N 0.00 2.72 -3.92 1.08 2.04 -1.26 -4.77 115.26 111.15 1bal n ASN 8 Ca 0.00 -2.69 -0.43 0.00 -0.44 0.00 0.00 54.58 51.02 1bal n ASN 8 Cb 0.00 -1.29 0.01 0.00 -2.53 0.00 0.00 39.78 35.97 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 9.30 6.37 -4.63 0.53 4.13 -1.26 -4.99 115.26 124.70 1bal n ASN 9 Ca 0.48 -3.39 -0.43 0.00 1.68 0.00 0.00 54.58 52.93 1bal n ASN 9 Cb 0.42 -1.30 -0.03 0.00 -1.54 0.00 0.00 39.78 37.34 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1bal s ASP 10 N -1.25 6.40 -0.20 6.41 -4.77 -1.26 -4.96 116.67 117.05 1bal s ASP 10 Ca 0.34 1.67 -0.09 0.00 -3.30 0.00 0.00 52.55 51.17 1bal s ASP 10 Cb 0.08 -2.53 0.08 0.00 -1.09 0.00 0.00 42.92 39.45 1bal s ASP 10 CO 0.06 -1.23 0.44 0.00 0.70 0.00 0.00 175.17 175.15 1bal s ALA 11 N 5.10 -1.20 0.50 2.11 0.00 -1.26 -5.16 121.76 121.85 1bal s ALA 11 Ca 0.71 1.62 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1bal s ALA 11 Cb -0.25 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1bal s ALA 11 CO 0.29 -0.53 0.00 1.28 0.00 0.00 0.00 175.76 176.80 1bal n LEU 12 N 4.84 0.00 -4.18 0.00 4.77 -1.26 -5.13 117.00 116.04 1bal n LEU 12 Ca -0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 1bal n LEU 12 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1bal n LEU 12 CO 0.03 0.00 -0.34 -0.94 -1.33 0.00 0.00 177.39 174.81 1bal s SER 13 N -1.00 0.94 0.15 -1.43 1.04 -1.26 -5.06 113.70 107.08 1bal s SER 13 Ca 0.00 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 1bal s SER 13 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1bal s SER 13 CO 0.00 -0.57 1.75 1.55 0.98 0.00 0.00 173.24 176.95 1bal h PRO 14 N 2.86 0.59 0.00 4.02 0.13 -2.04 -2.08 132.00 135.48 1bal h PRO 14 Ca -0.36 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1bal h PRO 14 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1bal h PRO 14 CO 0.63 0.48 0.06 0.00 -0.23 0.00 0.00 178.00 178.94 1bal n ALA 15 N -2.26 0.93 -0.12 -0.56 0.00 -1.26 -1.48 120.51 115.76 1bal n ALA 15 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1bal n ALA 15 Cb 0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 1.28 -0.20 0.00 2.10 -1.80 -0.86 117.51 118.03 1bal h ILE 16 Ca 0.00 -1.52 -0.18 0.00 1.08 0.00 0.00 64.86 64.23 1bal h ILE 16 Cb 0.11 1.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.23 1bal h ILE 16 CO 0.00 0.51 -0.62 0.03 -1.08 0.00 0.00 178.15 176.99 1bal h ARG 17 N 0.72 0.69 0.00 2.19 2.47 -1.48 -2.83 114.38 116.14 1bal h ARG 17 Ca 0.06 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1bal h ARG 17 Cb 0.94 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1bal h ARG 17 CO 0.09 1.09 0.00 0.54 0.56 0.00 0.00 179.97 182.25 1bal n ARG 18 N -3.95 0.08 0.05 0.04 5.12 -1.19 -3.16 116.66 113.64 1bal n ARG 18 Ca -0.04 0.14 0.01 0.00 -1.93 0.00 0.00 57.85 56.02 1bal n ARG 18 Cb 0.65 -1.61 0.33 0.00 -1.16 0.00 0.00 32.46 30.67 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 0.38 -0.35 0.55 5.85 -0.88 -1.70 115.31 119.16 1bal h LEU 19 Ca 0.00 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.48 1bal h LEU 19 Cb 0.49 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1bal h LEU 19 CO 0.00 0.50 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.78 1bal h LEU 20 N 0.39 0.00 -0.12 2.25 3.38 -1.67 -2.92 115.31 116.61 1bal h LEU 20 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bal h LEU 20 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bal h LEU 20 CO 0.02 0.75 -0.07 0.00 0.09 0.00 0.00 178.44 179.23 1bal n ALA 21 N -2.35 2.65 -0.07 1.53 0.00 -0.84 -0.30 120.51 121.13 1bal n ALA 21 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.00 1bal n ALA 21 Cb 0.76 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.11 0.66 -0.00 0.00 2.13 -0.70 -4.47 120.64 117.15 1bal n GLU 22 Ca 0.14 0.32 0.11 0.00 0.66 0.00 0.00 57.16 58.40 1bal n GLU 22 Cb 0.26 -1.65 -0.16 0.00 0.27 0.00 0.00 31.44 30.17 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 -3.81 0.05 -2.83 4.31 8.25 -1.14 -5.05 115.22 115.00 1bal n HIS 23 Ca -0.38 0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.03 1bal n HIS 23 Cb 0.92 -0.47 0.01 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.20 -7.93 -3.70 0.41 2.85 0.59 -5.04 115.26 100.24 1bal n ASN 24 Ca -0.03 0.78 -0.18 0.00 -0.11 0.00 0.00 54.58 55.04 1bal n ASN 24 Cb 0.55 -5.27 -0.17 0.00 1.24 0.00 0.00 39.78 36.12 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 -2.31 0.42 -0.30 1.20 1.43 -1.24 -5.07 118.68 112.80 1bal s LEU 25 Ca 0.18 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 1bal s LEU 25 Cb -0.05 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.09 1bal s LEU 25 CO 0.77 -0.21 1.76 1.51 0.23 0.00 0.00 176.35 180.41 1bal s ASP 26 N 1.82 6.01 0.52 2.29 1.47 -1.26 -4.83 116.67 122.68 1bal s ASP 26 Ca 0.00 1.39 0.22 0.00 1.18 0.00 0.00 52.55 55.35 1bal s ASP 26 Cb -0.12 -2.53 1.40 0.00 -0.34 0.00 0.00 42.92 41.33 1bal s ASP 26 CO -0.03 -1.60 2.11 0.00 0.68 0.00 0.00 175.17 176.33 1bal h ALA 27 N 12.37 1.59 -1.03 2.11 0.00 -1.99 -2.11 119.26 130.21 1bal h ALA 27 Ca -0.34 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 54.78 1bal h ALA 27 Cb 1.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1bal h ALA 27 CO 1.02 0.11 0.72 0.77 0.00 0.00 0.00 179.25 181.87 1bal h SER 28 N 0.00 0.11 0.90 0.00 0.02 -2.04 0.93 113.55 113.48 1bal h SER 28 Ca -0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 1bal h SER 28 Cb 0.18 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1bal h SER 28 CO 0.01 0.03 -0.56 0.00 -1.14 0.00 0.00 176.83 175.17 1bal h ALA 29 N 1.52 0.84 -2.54 3.77 0.00 -1.78 -3.43 119.26 117.64 1bal h ALA 29 Ca 0.51 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1bal h ALA 29 Cb 1.83 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1bal h ALA 29 CO -0.07 0.69 0.23 0.42 0.00 0.00 0.00 179.25 180.52 1bal s ILE 30 N -3.37 4.97 -0.23 0.00 -1.09 0.32 -5.00 121.20 116.80 1bal s ILE 30 Ca 0.00 1.54 -0.29 0.00 -2.23 0.00 0.00 60.65 59.68 1bal s ILE 30 Cb 0.11 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1bal s ILE 30 CO 0.74 0.15 1.43 -0.54 -1.23 0.00 0.00 174.94 175.49 1bal s LYS 31 N 1.42 3.95 -0.36 2.79 1.02 -1.26 -4.96 119.74 122.33 1bal s LYS 31 Ca 0.38 1.55 -0.17 0.00 0.02 0.00 0.00 55.97 57.75 1bal s LYS 31 Cb -0.17 -3.92 -0.00 0.00 -0.52 0.00 0.00 37.83 33.21 1bal s LYS 31 CO 0.16 -1.08 0.44 0.20 -0.92 0.00 0.00 175.35 174.15 1bal s GLY 32 N 3.19 1.86 0.00 -3.33 0.00 -1.26 -4.97 107.32 102.81 1bal s GLY 32 Ca 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1bal s GLY 32 CO 0.24 1.14 0.00 -1.30 0.00 0.00 0.00 173.10 173.18 1bal n THR 33 N 5.37 0.00 -1.44 0.90 -2.24 -1.25 -4.30 114.28 111.32 1bal n THR 33 Ca -0.07 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1bal n THR 33 Cb 0.49 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 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 2.23 -0.00 3.48 3.38 0.00 -1.11 -1.89 105.19 111.27 1bal n GLY 34 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N 0.00 4.28 0.00 1.61 1.01 -1.26 -4.03 120.40 122.01 1bal s VAL 35 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1bal s VAL 35 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1bal s VAL 35 CO 0.00 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.28 1bal n GLY 36 N 5.29 2.64 0.00 4.51 0.00 -1.26 -4.23 105.19 112.14 1bal n GLY 36 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 3.86 -0.02 0.00 -0.79 -5.06 105.19 103.18 1bal n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.68 0.17 1.61 0.52 -0.95 -4.86 118.95 119.11 1bal s ARG 38 Ca 0.00 0.13 -0.05 0.00 -0.52 0.00 0.00 55.73 55.29 1bal s ARG 38 Cb 0.00 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.21 1bal s ARG 38 CO 0.00 0.73 0.41 -1.17 0.02 0.00 0.00 175.30 175.28 1bal s LEU 39 N -1.02 4.24 0.20 2.53 2.96 -1.26 -2.75 118.68 123.57 1bal s LEU 39 Ca 0.19 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.69 1bal s LEU 39 Cb -0.14 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1bal s LEU 39 CO 0.08 0.01 0.14 0.42 -1.32 0.00 0.00 176.35 175.68 1bal s THR 40 N -1.73 0.01 -0.61 3.68 -4.23 -1.26 -5.03 115.64 106.47 1bal s THR 40 Ca 0.42 -1.96 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1bal s THR 40 Cb -0.12 -2.45 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1bal s THR 40 CO 0.25 -0.04 1.75 -0.09 -0.54 0.00 0.00 174.62 175.96 1bal h ARG 41 N 2.62 0.00 -0.98 3.99 2.43 -1.99 -3.16 114.38 117.29 1bal h ARG 41 Ca -0.35 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1bal h ARG 41 Cb 1.25 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 1bal h ARG 41 CO 0.53 0.00 0.08 -1.91 -1.51 0.00 0.00 179.97 177.15 1bal n GLU 42 N -2.38 1.32 0.00 0.20 2.13 -1.26 -3.07 120.64 117.58 1bal n GLU 42 Ca 0.04 -0.49 0.00 0.00 0.66 0.00 0.00 57.16 57.37 1bal n GLU 42 Cb 0.39 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.79 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 0.20 0.37 0.05 4.31 9.92 -1.19 -4.77 116.55 125.43 1bal n ASP 43 Ca 0.08 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.48 1bal n ASP 43 Cb 0.61 0.00 0.52 0.00 -0.64 0.00 0.00 41.12 41.61 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -2.60 0.30 -0.02 2.53 0.31 -1.25 -3.38 118.33 114.21 1bal n VAL 44 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bal n VAL 44 Cb 0.24 -0.56 0.31 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.00 5.55 4.81 -1.84 -0.65 114.58 123.03 1bal h GLU 45 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1bal h GLU 45 Cb 0.60 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1bal h GLU 45 CO 0.00 0.54 -0.06 1.63 -0.73 0.00 0.00 179.01 180.39 1bal n LYS 46 N -4.33 0.94 -0.07 1.92 5.02 -1.22 -3.61 118.16 116.82 1bal n LYS 46 Ca 0.02 -0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 55.87 1bal n LYS 46 Cb 0.19 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.76 0.45 0.00 2.13 -0.00 -0.32 -4.58 115.22 112.15 1bal n HIS 47 Ca 0.18 0.13 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1bal n HIS 47 Cb 0.25 -1.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.05 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 -3.05 0.00 0.00 0.27 4.77 -0.81 -4.91 117.00 113.27 1bal n LEU 48 Ca -0.32 0.80 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1bal n LEU 48 Cb 1.08 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1bal n LEU 48 CO 0.40 -0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.16 1bal n ALA 49 N -1.99 0.67 -2.11 -1.18 0.00 -1.26 -5.15 120.51 109.49 1bal n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bal n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bal n LYS 50 N -0.51 0.00 0.00 0.00 5.02 -1.26 -5.01 118.16 116.40 1bal n LYS 50 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1bal n LYS 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88