#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppf n ALA 2 N 0.00 1.96 -3.82 -1.18 0.00 -1.26 -4.91 120.51 111.30 1ppf n ALA 2 Ca 0.00 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1ppf n ALA 2 Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1ppf n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ppf n ALA 3 N -1.37 -1.48 -1.79 0.00 0.00 -1.26 -4.87 120.51 109.74 1ppf n ALA 3 Ca 0.07 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1ppf n ALA 3 Cb 0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 1ppf n ALA 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ppf s VAL 4 N -3.61 2.23 -0.06 0.00 -7.23 -1.26 -5.04 120.40 105.44 1ppf s VAL 4 Ca 0.20 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 1ppf s VAL 4 Cb -0.11 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 33.72 1ppf s VAL 4 CO 0.75 0.03 0.28 -0.44 -0.31 0.00 0.00 175.10 175.42 1ppf s SER 5 N 0.35 -0.23 0.09 4.85 0.01 -1.26 -4.97 113.70 112.54 1ppf s SER 5 Ca 0.61 0.32 0.08 0.00 1.31 0.00 0.00 55.95 58.27 1ppf s SER 5 Cb -0.46 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1ppf s SER 5 CO 0.49 -0.26 -0.22 0.68 0.41 0.00 0.00 173.24 174.34 1ppf s VAL 6 N -0.55 1.79 -0.42 3.43 -7.23 -1.26 -5.10 120.40 111.06 1ppf s VAL 6 Ca -0.07 -1.48 -0.23 0.00 -1.81 0.00 0.00 61.98 58.40 1ppf s VAL 6 Cb -0.04 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1ppf s VAL 6 CO 0.02 0.05 0.79 -0.62 -0.31 0.00 0.00 175.10 175.02 1ppf s ASP 7 N -1.71 6.45 -0.29 4.85 2.15 -1.26 -4.95 116.67 121.91 1ppf s ASP 7 Ca 0.08 0.04 0.10 0.00 0.43 0.00 0.00 52.55 53.19 1ppf s ASP 7 Cb -0.10 -2.39 0.55 0.00 -0.30 0.00 0.00 42.92 40.68 1ppf s ASP 7 CO 0.04 -0.86 1.54 0.00 -0.17 0.00 0.00 175.17 175.71 1ppf h SER 9 N 1.24 0.00 -0.44 0.00 4.64 -1.98 -2.98 113.55 114.04 1ppf h SER 9 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1ppf h SER 9 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1ppf h SER 9 CO 0.48 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.82 1ppf n GLU 10 N -2.77 3.08 -4.16 4.77 1.02 -1.26 -4.88 120.64 116.44 1ppf n GLU 10 Ca 0.03 -2.02 -0.32 0.00 -0.02 0.00 0.00 57.16 54.83 1ppf n GLU 10 Cb 0.42 -1.78 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 1ppf n GLU 10 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ppf s TYR 11 N -1.86 3.16 0.51 -0.32 1.51 -1.13 -4.52 117.35 114.71 1ppf s TYR 11 Ca 0.36 0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.49 1ppf s TYR 11 Cb 0.24 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1ppf s TYR 11 CO 0.16 0.51 0.80 -1.25 -1.11 0.00 0.00 175.55 174.66 1ppf s PRO 12 N -1.83 3.23 -0.06 -1.71 0.04 -1.26 -5.03 135.00 128.37 1ppf s PRO 12 Ca 0.23 0.00 0.06 0.00 0.04 0.00 0.00 61.00 61.33 1ppf s PRO 12 Cb -0.12 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ppf s PRO 12 CO 0.14 -0.39 -0.25 0.15 0.04 0.00 0.00 177.00 176.69 1ppf s LYS 13 N -4.80 2.57 0.48 4.56 1.02 -1.26 -5.05 119.74 117.27 1ppf s LYS 13 Ca 0.50 -0.91 0.23 0.00 0.02 0.00 0.00 55.97 55.81 1ppf s LYS 13 Cb -0.10 -2.17 1.24 0.00 -0.52 0.00 0.00 37.83 36.28 1ppf s LYS 13 CO 0.44 0.38 2.01 -1.00 -0.92 0.00 0.00 175.35 176.25 1ppf h PRO 14 N 6.08 0.00 -5.78 -1.68 0.13 -2.02 -3.44 132.00 125.30 1ppf h PRO 14 Ca -0.31 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.31 1ppf h PRO 14 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1ppf h PRO 14 CO 0.47 0.17 -0.81 0.00 -0.23 0.00 0.00 178.00 177.60 1ppf s ALA 15 N -4.25 1.51 0.02 -0.56 0.00 -1.26 -5.13 121.76 112.09 1ppf s ALA 15 Ca -0.03 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1ppf s ALA 15 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1ppf s ALA 15 CO 0.63 0.29 -0.23 0.00 0.00 0.00 0.00 175.76 176.44 1ppf s THR 17 N -0.78 3.68 -0.46 0.00 -4.23 -1.26 -4.99 115.64 107.60 1ppf s THR 17 Ca 0.12 0.75 0.04 0.00 -1.18 0.00 0.00 61.69 61.41 1ppf s THR 17 Cb -0.10 -3.30 0.63 0.00 1.34 0.00 0.00 72.50 71.07 1ppf s THR 17 CO 0.02 -0.52 1.89 0.18 -0.54 0.00 0.00 174.62 175.65 1ppf n LEU 18 N -2.33 6.63 -4.86 4.79 4.77 -1.26 -4.94 117.00 119.79 1ppf n LEU 18 Ca 0.09 -3.72 -0.31 0.00 -0.03 0.00 0.00 56.01 52.04 1ppf n LEU 18 Cb 0.53 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1ppf n LEU 18 CO 0.49 1.13 0.53 -1.83 -1.33 0.00 0.00 177.39 176.38 1ppf s GLU 19 N -3.37 3.82 -0.44 3.23 1.03 -1.26 -5.01 118.70 116.71 1ppf s GLU 19 Ca 0.57 0.63 -0.13 0.00 0.03 0.00 0.00 54.97 56.06 1ppf s GLU 19 Cb 0.48 -2.30 0.06 0.00 -0.80 0.00 0.00 34.13 31.57 1ppf s GLU 19 CO 0.08 -0.13 0.32 -0.47 -1.33 0.00 0.00 175.26 173.73 1ppf s TYR 20 N -2.49 3.26 -0.42 4.83 5.04 -1.26 -4.45 117.35 121.87 1ppf s TYR 20 Ca 0.54 -1.00 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 1ppf s TYR 20 Cb -0.10 -2.92 0.16 0.00 0.35 0.00 0.00 41.96 39.45 1ppf s TYR 20 CO 0.32 -0.75 0.32 1.03 -1.34 0.00 0.00 175.55 175.13 1ppf s ARG 21 N 1.59 0.93 0.67 4.97 1.81 -0.63 -5.03 118.95 123.26 1ppf s ARG 21 Ca 0.04 -2.02 -0.16 0.00 -1.72 0.00 0.00 55.73 51.87 1ppf s ARG 21 Cb -0.22 -1.54 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 1ppf s ARG 21 CO 0.06 -1.34 1.17 -1.25 -0.68 0.00 0.00 175.30 173.26 1ppf s PRO 22 N 0.19 2.60 -0.05 3.54 0.04 -1.20 -3.93 135.00 136.19 1ppf s PRO 22 Ca 0.29 1.64 0.01 0.00 0.04 0.00 0.00 61.00 62.98 1ppf s PRO 22 Cb -0.03 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1ppf s PRO 22 CO -0.15 -1.45 -0.06 -0.51 0.04 0.00 0.00 177.00 174.87 1ppf s LEU 23 N -4.75 1.38 -0.32 -3.56 1.43 -0.60 -0.99 118.68 111.26 1ppf s LEU 23 Ca 0.72 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1ppf s LEU 23 Cb -0.26 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 1ppf s LEU 23 CO 0.40 -0.04 0.25 0.00 0.23 0.00 0.00 176.35 177.19 1ppf s GLY 25 N 1.73 1.62 0.00 0.00 0.00 0.11 -0.70 107.32 110.08 1ppf s GLY 25 Ca 0.07 -0.51 0.15 0.00 0.00 0.00 0.00 44.72 44.44 1ppf s GLY 25 CO 0.11 -0.10 1.47 -1.14 0.00 0.00 0.00 173.10 173.44 1ppf n SER 26 N -3.08 0.00 -0.51 1.64 3.41 0.13 -0.57 113.62 114.64 1ppf n SER 26 Ca 0.07 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1ppf n SER 26 Cb 0.59 -0.45 0.47 0.00 -0.26 0.00 0.00 64.21 64.56 1ppf n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ppf n ASP 27 N -1.45 1.58 -1.57 4.04 5.75 -1.26 -4.89 116.55 118.74 1ppf n ASP 27 Ca 0.05 -1.58 -0.14 0.00 -0.01 0.00 0.00 54.79 53.11 1ppf n ASP 27 Cb 0.16 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1ppf n ASP 27 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ppf n ASN 28 N 0.24 -4.24 -4.72 -1.12 4.13 0.26 -5.04 115.26 104.78 1ppf n ASN 28 Ca 0.18 -0.02 -0.33 0.00 1.68 0.00 0.00 54.58 56.10 1ppf n ASN 28 Cb 0.35 -3.41 -0.08 0.00 -1.54 0.00 0.00 39.78 35.10 1ppf n ASN 28 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ppf s LYS 29 N -4.69 2.89 -0.24 3.52 1.02 -1.26 -4.92 119.74 116.06 1ppf s LYS 29 Ca 0.00 -0.55 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 1ppf s LYS 29 Cb -0.00 -2.74 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1ppf s LYS 29 CO 0.00 0.64 0.83 0.99 -0.92 0.00 0.00 175.35 176.89 1ppf s THR 30 N -1.11 4.84 0.13 2.17 2.01 -1.26 -0.71 115.64 121.71 1ppf s THR 30 Ca 0.20 1.56 -0.11 0.00 0.31 0.00 0.00 61.69 63.65 1ppf s THR 30 Cb -0.12 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.22 1ppf s THR 30 CO 0.11 -0.07 0.48 -0.31 -0.69 0.00 0.00 174.62 174.14 1ppf s TYR 31 N 2.83 3.57 0.16 4.92 1.51 0.32 -4.94 117.35 125.71 1ppf s TYR 31 Ca 0.35 0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 57.22 1ppf s TYR 31 Cb -0.15 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1ppf s TYR 31 CO 0.07 0.45 1.50 0.78 -1.11 0.00 0.00 175.55 177.24 1ppf h GLY 32 N 3.46 0.93 -1.07 0.71 0.00 -1.88 -1.60 103.07 103.63 1ppf h GLY 32 Ca -0.48 -0.95 -0.08 0.00 0.00 0.00 0.00 47.33 45.81 1ppf h GLY 32 CO 0.67 0.86 0.18 1.16 0.00 0.00 0.00 176.54 179.40 1ppf n ASN 33 N -4.05 -2.04 -0.30 0.19 0.23 -1.25 -1.61 115.26 106.43 1ppf n ASN 33 Ca -0.02 -2.62 0.03 0.00 -0.53 0.00 0.00 54.58 51.44 1ppf n ASN 33 Cb 0.54 3.46 0.24 0.00 -2.08 0.00 0.00 39.78 41.94 1ppf n ASN 33 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1ppf h LYS 34 N 0.00 1.01 -0.18 -3.83 3.64 -1.91 -1.59 116.57 113.70 1ppf h LYS 34 Ca -0.31 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1ppf h LYS 34 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1ppf h LYS 34 CO 0.40 0.67 0.07 0.00 -2.27 0.00 0.00 179.45 178.32 1ppf h ASN 36 N 0.14 0.84 0.51 0.00 -0.00 -1.85 -1.03 115.58 114.18 1ppf h ASN 36 Ca 0.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 56.30 56.12 1ppf h ASN 36 Cb 0.18 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 1ppf h ASN 36 CO -0.00 0.90 -0.24 0.15 -0.00 0.00 0.00 177.43 178.23 1ppf h PHE 37 N 0.80 -0.63 -1.00 0.67 3.57 -0.94 -2.94 116.94 116.47 1ppf h PHE 37 Ca 0.15 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.79 1ppf h PHE 37 Cb 0.49 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1ppf h PHE 37 CO 0.03 -0.33 0.62 0.00 -2.23 0.00 0.00 178.31 176.40 1ppf h ASN 39 N 0.86 0.51 0.28 0.00 2.35 -1.18 -1.87 115.58 116.53 1ppf h ASN 39 Ca 0.53 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 56.14 1ppf h ASN 39 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1ppf h ASN 39 CO -0.31 0.36 -0.51 0.00 -1.65 0.00 0.00 177.43 175.31 1ppf h ALA 40 N 1.71 0.95 -0.38 -0.83 0.00 -1.21 -2.53 119.26 116.96 1ppf h ALA 40 Ca 0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1ppf h ALA 40 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ppf h ALA 40 CO -0.04 0.67 -0.35 0.28 0.00 0.00 0.00 179.25 179.80 1ppf h VAL 41 N 0.21 1.27 0.00 0.00 2.07 -0.43 -0.34 116.25 119.03 1ppf h VAL 41 Ca 0.01 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 65.90 1ppf h VAL 41 Cb 0.98 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1ppf h VAL 41 CO 0.08 0.51 -0.50 0.58 0.02 0.00 0.00 177.57 178.26 1ppf h VAL 42 N 0.73 1.34 0.00 2.57 2.07 -1.45 -1.77 116.25 119.74 1ppf h VAL 42 Ca 0.07 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1ppf h VAL 42 Cb 0.94 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1ppf h VAL 42 CO 0.09 0.49 -0.25 -0.08 0.02 0.00 0.00 177.57 177.83 1ppf h GLU 43 N 0.00 0.00 -0.00 1.57 4.81 -1.40 -2.25 114.58 117.30 1ppf h GLU 43 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ppf h GLU 43 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1ppf h GLU 43 CO 0.06 0.00 -0.12 -1.13 -0.73 0.00 0.00 179.01 177.10 1ppf n SER 44 N -2.89 0.50 -2.53 1.04 3.41 -0.14 -4.86 113.62 108.15 1ppf n SER 44 Ca 0.03 -0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 57.86 1ppf n SER 44 Cb 0.52 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ppf n SER 44 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ppf n ASN 45 N -0.94 -5.69 0.00 4.04 5.15 -0.85 -3.07 115.26 113.90 1ppf n ASN 45 Ca 0.14 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1ppf n ASN 45 Cb 0.28 -4.72 0.00 0.00 -0.53 0.00 0.00 39.78 34.81 1ppf n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ppf n GLY 46 N -1.08 1.81 0.00 8.20 0.00 -0.70 -4.96 105.19 108.46 1ppf n GLY 46 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1ppf n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ppf n THR 47 N -1.35 0.00 -3.59 2.61 -2.24 -1.18 -4.62 114.28 103.92 1ppf n THR 47 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1ppf n THR 47 Cb 0.00 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 67.56 1ppf n THR 47 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ppf s LEU 48 N -1.74 4.04 0.41 3.22 2.96 -1.26 -4.98 118.68 121.33 1ppf s LEU 48 Ca 0.22 0.03 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 1ppf s LEU 48 Cb 0.10 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1ppf s LEU 48 CO 0.17 -0.03 0.29 0.42 -1.32 0.00 0.00 176.35 175.87 1ppf s THR 49 N 1.64 2.52 -0.15 3.68 -4.23 -1.26 -4.85 115.64 112.99 1ppf s THR 49 Ca 0.07 -1.50 -0.28 0.00 -1.18 0.00 0.00 61.69 58.81 1ppf s THR 49 Cb -0.16 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 1ppf s THR 49 CO 0.10 -0.01 0.93 -0.22 -0.54 0.00 0.00 174.62 174.88 1ppf s LEU 50 N -4.03 4.20 -0.11 4.79 2.96 -1.26 0.22 118.68 125.45 1ppf s LEU 50 Ca 0.45 1.35 -0.13 0.00 -0.22 0.00 0.00 54.13 55.58 1ppf s LEU 50 Cb -0.00 -3.41 -0.11 0.00 0.50 0.00 0.00 46.19 43.17 1ppf s LEU 50 CO 0.25 -0.45 0.36 0.28 -1.32 0.00 0.00 176.35 175.48 1ppf h SER 51 N 7.24 -0.02 -4.97 3.68 0.02 -1.14 -3.45 113.55 114.90 1ppf h SER 51 Ca -0.29 -0.40 0.26 0.00 -0.84 0.00 0.00 61.79 60.53 1ppf h SER 51 Cb 1.13 0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.53 1ppf h SER 51 CO 0.86 0.66 0.76 -1.38 -1.14 0.00 0.00 176.83 176.60 1ppf s HIS 52 N -1.98 -0.11 0.27 3.45 0.00 -1.01 -4.97 115.29 110.94 1ppf s HIS 52 Ca -0.08 0.01 -0.26 0.00 -3.00 0.00 0.00 55.06 51.73 1ppf s HIS 52 Cb -0.01 0.54 -0.09 0.00 -4.00 0.00 0.00 32.58 29.02 1ppf s HIS 52 CO 0.30 -0.32 0.88 -0.06 -1.00 0.00 0.00 174.74 174.54 1ppf s PHE 53 N -2.57 3.78 0.00 0.38 0.08 -1.26 -0.34 117.98 118.05 1ppf s PHE 53 Ca 0.11 1.73 0.00 0.00 0.12 0.00 0.00 56.93 58.89 1ppf s PHE 53 Cb 0.01 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 1ppf s PHE 53 CO -0.04 0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1ppf n GLY 54 N 0.92 -3.55 3.76 4.36 0.00 -0.16 -4.70 105.19 105.80 1ppf n GLY 54 Ca -0.01 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1ppf n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ppf s LYS 55 N -0.86 2.23 0.00 1.61 1.02 -1.26 -1.43 119.74 121.05 1ppf s LYS 55 Ca 0.00 1.28 0.18 0.00 0.02 0.00 0.00 55.97 57.45 1ppf s LYS 55 Cb 0.00 -1.89 1.09 0.00 -0.52 0.00 0.00 37.83 36.51 1ppf s LYS 55 CO 0.00 -1.67 1.49 0.00 -0.92 0.00 0.00 175.35 174.24