#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 -1.36 -3.48 0.00 -1.26 -5.11 120.51 109.31 1bal n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 -1.13 0.00 0.00 0.00 177.50 176.37 1bal n SER 3 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.88 113.62 110.89 1bal n SER 3 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1bal n SER 3 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bal n LEU 4 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.69 117.00 116.86 1bal n LEU 4 Ca 0.00 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1bal n LEU 4 Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1bal n LEU 4 CO 0.00 -0.30 0.00 -1.84 -1.33 0.00 0.00 177.39 173.92 1bal n GLU 5 N -1.49 0.00 -3.49 3.23 0.28 -1.26 -5.11 120.64 112.80 1bal n GLU 5 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.94 1bal n GLU 5 Cb 0.13 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.97 1bal n GLU 5 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1bal s GLU 6 N 1.00 0.88 0.00 3.44 -1.05 -1.26 -4.64 118.70 117.07 1bal s GLU 6 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1bal s GLU 6 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 1bal s GLU 6 CO 0.00 -0.38 0.00 1.04 0.95 0.00 0.00 175.26 176.87 1bal n GLN 7 N -0.25 0.00 -1.55 -4.83 6.02 -1.26 -4.99 117.38 110.52 1bal n GLN 7 Ca -0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.97 1bal n GLN 7 Cb 0.62 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.84 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 0.00 -8.32 -4.41 1.08 5.15 -1.26 -4.74 115.26 102.76 1bal n ASN 8 Ca 0.00 1.73 -0.41 0.00 -0.60 0.00 0.00 54.58 55.30 1bal n ASN 8 Cb 0.00 -5.16 0.01 0.00 -0.53 0.00 0.00 39.78 34.10 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bal n ASN 9 N -3.43 -1.52 0.00 1.20 5.15 -1.26 -4.77 115.26 110.64 1bal n ASN 9 Ca -0.04 0.84 0.00 0.00 -0.60 0.00 0.00 54.58 54.78 1bal n ASN 9 Cb 0.59 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1bal n ASN 9 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1bal n ASP 10 N 1.46 0.00 -2.10 1.20 2.03 -1.26 -5.16 116.55 112.72 1bal n ASP 10 Ca 0.11 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.43 1bal n ASP 10 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 -0.25 -1.41 -1.00 -1.67 0.00 -1.26 -5.16 120.51 109.76 1bal n ALA 11 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1bal n ALA 11 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -4.89 0.00 4.77 -1.26 -4.96 117.00 110.66 1bal n LEU 12 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1bal n LEU 12 Cb 0.22 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1bal n LEU 12 CO 0.06 -1.30 0.16 -0.94 -1.33 0.00 0.00 177.39 174.04 1bal s SER 13 N -1.73 6.51 0.17 -1.43 1.04 -1.26 -5.00 113.70 111.99 1bal s SER 13 Ca 0.00 0.74 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 1bal s SER 13 Cb 0.00 -2.15 0.06 0.00 0.10 0.00 0.00 66.02 64.03 1bal s SER 13 CO 0.00 -0.10 1.74 1.55 0.98 0.00 0.00 173.24 177.41 1bal h PRO 14 N 2.20 0.82 -1.13 4.02 0.13 -2.04 -2.47 132.00 133.53 1bal h PRO 14 Ca -0.47 -0.13 0.33 0.00 -0.87 0.00 0.00 66.00 64.85 1bal h PRO 14 Cb 1.18 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1bal h PRO 14 CO 0.68 0.68 0.81 0.00 -0.23 0.00 0.00 178.00 179.94 1bal h ALA 15 N 1.09 3.01 -1.12 -0.56 0.00 -1.98 0.22 119.26 119.92 1bal h ALA 15 Ca 0.19 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.38 1bal h ALA 15 Cb 0.15 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1bal h ALA 15 CO -0.02 -1.34 0.76 0.97 0.00 0.00 0.00 179.25 179.62 1bal h ILE 16 N 0.03 0.44 0.02 0.00 2.10 -1.85 1.08 117.51 119.34 1bal h ILE 16 Ca 0.55 -0.07 -0.22 0.00 1.08 0.00 0.00 64.86 66.20 1bal h ILE 16 Cb 2.12 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 38.04 1bal h ILE 16 CO -0.03 0.04 -1.02 0.03 -1.08 0.00 0.00 178.15 176.09 1bal h ARG 17 N 0.21 0.04 0.00 2.19 2.47 -0.75 -3.18 114.38 115.35 1bal h ARG 17 Ca 0.60 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 59.25 1bal h ARG 17 Cb 1.90 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.25 1bal h ARG 17 CO -0.19 1.02 -0.36 0.54 0.56 0.00 0.00 179.97 181.54 1bal n ARG 18 N -3.40 0.27 0.12 0.04 5.12 0.27 -3.65 116.66 115.44 1bal n ARG 18 Ca -0.01 0.13 0.17 0.00 -1.93 0.00 0.00 57.85 56.21 1bal n ARG 18 Cb 0.94 -1.73 0.72 0.00 -1.16 0.00 0.00 32.46 31.24 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 -0.33 0.55 5.85 0.80 0.23 115.31 122.41 1bal h LEU 19 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1bal h LEU 19 Cb 0.73 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1bal h LEU 19 CO 0.00 0.00 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.27 1bal h LEU 20 N 0.00 0.00 -0.20 2.25 3.38 -1.75 -2.97 115.31 116.03 1bal h LEU 20 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1bal h LEU 20 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1bal h LEU 20 CO -0.00 0.76 -0.18 0.00 0.09 0.00 0.00 178.44 179.10 1bal n ALA 21 N -2.35 2.87 -0.03 1.53 0.00 0.68 -1.03 120.51 122.19 1bal n ALA 21 Ca -0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1bal n ALA 21 Cb 0.77 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.80 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.48 0.16 -0.00 0.00 4.57 -1.06 -3.38 114.58 115.35 1bal h GLU 22 Ca 0.00 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1bal h GLU 22 Cb 0.42 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1bal h GLU 22 CO 0.00 1.13 -0.92 0.72 -1.18 0.00 0.00 179.01 178.77 1bal n HIS 23 N -4.02 0.00 -2.92 0.92 8.25 -1.18 -5.05 115.22 111.22 1bal n HIS 23 Ca -0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1bal n HIS 23 Cb 0.84 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.42 -5.86 -4.30 0.41 3.02 -0.20 -5.00 115.26 101.92 1bal n ASN 24 Ca 0.04 1.00 -0.28 0.00 -0.03 0.00 0.00 54.58 55.31 1bal n ASN 24 Cb 0.31 -3.27 -0.14 0.00 -0.61 0.00 0.00 39.78 36.07 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -0.83 2.16 -1.44 3.41 1.43 -1.24 -5.04 118.68 117.14 1bal s LEU 25 Ca -0.06 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1bal s LEU 25 Cb 0.00 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 45.11 1bal s LEU 25 CO 0.36 0.22 2.17 0.47 0.23 0.00 0.00 176.35 179.80 1bal n ASP 26 N 1.83 4.03 0.00 2.29 8.00 -1.26 -4.70 116.55 126.73 1bal n ASP 26 Ca -0.17 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.47 1bal n ASP 26 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 1bal n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 27 N 6.23 1.00 -0.14 2.24 0.00 -1.26 -2.52 120.51 126.04 1bal n ALA 27 Ca 0.51 0.00 0.28 0.00 0.00 0.00 0.00 53.44 54.23 1bal n ALA 27 Cb 0.40 -0.82 0.60 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.00 0.02 -2.00 0.13 113.55 111.70 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 0.10 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 1bal h SER 28 CO 0.00 0.00 -2.34 0.00 -1.14 0.00 0.00 176.83 173.35 1bal n ALA 29 N -2.36 1.50 -2.06 3.77 0.00 -1.05 -4.87 120.51 115.44 1bal n ALA 29 Ca 0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1bal n ALA 29 Cb 1.21 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.47 3.52 0.00 0.00 -1.09 0.45 -4.98 121.20 116.63 1bal s ILE 30 Ca -0.29 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1bal s ILE 30 Cb 0.08 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1bal s ILE 30 CO 0.57 -0.54 0.00 1.17 -1.23 0.00 0.00 174.94 174.91 1bal n LYS 31 N 8.50 0.26 -3.74 2.79 4.81 -1.26 -4.85 118.16 124.67 1bal n LYS 31 Ca 0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.49 1bal n LYS 31 Cb 0.48 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.37 1bal n LYS 31 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1bal s GLY 32 N -1.40 0.11 -0.35 3.14 0.00 -1.26 -4.89 107.32 102.67 1bal s GLY 32 Ca 0.00 0.32 0.15 0.00 0.00 0.00 0.00 44.72 45.19 1bal s GLY 32 CO 0.00 0.92 0.90 -1.30 0.00 0.00 0.00 173.10 173.62 1bal n THR 33 N 4.49 0.81 -1.50 0.90 -2.24 -1.24 -4.81 114.28 110.69 1bal n THR 33 Ca -0.21 -3.72 -0.30 0.00 -2.27 0.00 0.00 64.05 57.55 1bal n THR 33 Cb 0.50 0.19 0.11 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.96 1.61 0.42 3.38 0.00 0.23 -4.83 107.32 105.17 1bal s GLY 34 Ca 0.33 -0.28 0.13 0.00 0.00 0.00 0.00 44.72 44.90 1bal s GLY 34 CO -0.02 0.19 1.95 -2.08 0.00 0.00 0.00 173.10 173.15 1bal h VAL 35 N -1.27 0.88 -0.02 1.40 2.07 -1.99 0.27 116.25 117.59 1bal h VAL 35 Ca -0.48 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1bal h VAL 35 Cb 1.29 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1bal h VAL 35 CO 0.59 0.09 -0.16 0.61 0.02 0.00 0.00 177.57 178.72 1bal n GLY 36 N -1.51 0.04 0.60 2.17 0.00 -1.26 -4.90 105.19 100.32 1bal n GLY 36 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.30 0.81 4.01 -0.02 0.00 0.95 -5.07 105.19 107.16 1bal n GLY 37 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.73 2.17 0.07 1.61 3.00 -1.26 -4.52 118.95 119.28 1bal s ARG 38 Ca 0.00 -1.30 -0.30 0.00 0.00 0.00 0.00 55.73 54.14 1bal s ARG 38 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 34.95 32.37 1bal s ARG 38 CO 0.00 -0.98 0.95 -1.17 0.00 0.00 0.00 175.30 174.10 1bal s LEU 39 N -4.81 4.46 0.34 2.53 2.96 -1.26 -0.60 118.68 122.29 1bal s LEU 39 Ca 0.62 1.72 0.06 0.00 -0.22 0.00 0.00 54.13 56.31 1bal s LEU 39 Cb -0.07 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1bal s LEU 39 CO 0.40 -0.12 0.25 0.42 -1.32 0.00 0.00 176.35 175.98 1bal s THR 40 N 0.29 0.10 -1.37 3.68 -4.23 -1.26 -4.92 115.64 107.93 1bal s THR 40 Ca 0.48 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.18 1bal s THR 40 Cb -0.22 -2.47 0.32 0.00 1.34 0.00 0.00 72.50 71.47 1bal s THR 40 CO 0.29 0.00 1.62 -1.14 -0.54 0.00 0.00 174.62 174.84 1bal n ARG 41 N -0.65 0.24 0.00 3.99 0.63 -1.26 -2.74 116.66 116.87 1bal n ARG 41 Ca 0.05 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1bal n ARG 41 Cb 0.63 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.04 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 -1.31 0.98 0.00 -0.14 -0.58 -1.26 -3.14 120.64 115.19 1bal n GLU 42 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1bal n GLU 42 Cb 0.17 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 -0.38 2.54 0.22 1.62 8.00 -1.11 -4.74 116.55 122.71 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 0.06 0.27 0.27 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.00 0.12 -0.60 2.53 2.07 -1.66 -3.33 116.25 115.37 1bal h VAL 44 Ca 0.00 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.55 1bal h VAL 44 Cb 0.47 1.94 -0.10 0.00 -1.52 0.00 0.00 31.29 32.08 1bal h VAL 44 CO 0.00 0.06 -0.52 -0.33 0.02 0.00 0.00 177.57 176.80 1bal h GLU 45 N 0.00 -0.24 -0.38 1.57 4.39 -1.83 0.75 114.58 118.84 1bal h GLU 45 Ca -0.00 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.81 1bal h GLU 45 Cb 0.94 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1bal h GLU 45 CO 0.01 -0.16 0.27 0.87 -1.16 0.00 0.00 179.01 178.83 1bal h LYS 46 N -0.25 0.06 0.28 2.33 1.57 -1.91 -2.93 116.57 115.71 1bal h LYS 46 Ca 0.13 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1bal h LYS 46 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1bal h LYS 46 CO -0.71 0.04 -0.14 1.25 -0.57 0.00 0.00 179.45 179.32 1bal h HIS 47 N 0.06 -0.35 -1.65 -1.35 2.76 0.25 -3.44 115.15 111.43 1bal h HIS 47 Ca 0.18 -0.01 -0.68 0.00 -2.20 0.00 0.00 60.37 57.66 1bal h HIS 47 Cb 0.64 0.12 0.08 0.00 1.55 0.00 0.00 27.41 29.79 1bal h HIS 47 CO -0.00 -0.22 0.15 1.28 -1.30 0.00 0.00 177.93 177.84 1bal n LEU 48 N -3.56 0.94 -3.50 0.26 4.77 -0.04 -4.96 117.00 110.90 1bal n LEU 48 Ca -0.05 1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.96 1bal n LEU 48 Cb 0.15 -1.13 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 1bal n LEU 48 CO 0.11 -1.59 -0.09 0.00 -1.33 0.00 0.00 177.39 174.49 1bal s ALA 49 N -0.22 -0.81 -0.16 -1.18 0.00 -1.26 -4.94 121.76 113.19 1bal s ALA 49 Ca 0.76 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 1bal s ALA 49 Cb -0.94 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1bal s ALA 49 CO 0.53 -1.03 0.38 0.21 0.00 0.00 0.00 175.76 175.85 1bal s LYS 50 N 2.48 4.25 0.00 0.00 2.20 -1.26 -5.27 119.74 122.14 1bal s LYS 50 Ca 0.07 0.22 0.29 0.00 -0.36 0.00 0.00 55.97 56.18 1bal s LYS 50 Cb -0.14 -3.47 1.25 0.00 -1.51 0.00 0.00 37.83 33.96 1bal s LYS 50 CO -0.13 0.12 1.86 0.00 -0.36 0.00 0.00 175.35 176.84