#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma n GLN 2 N 0.00 0.00 0.17 -1.08 6.02 -1.26 -4.95 117.38 116.28 1kma n GLN 2 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1kma n GLN 2 Cb 0.00 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.51 1kma n GLN 2 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1kma h GLY 3 N 0.00 0.00 0.87 1.08 0.00 -2.02 -0.43 103.07 102.57 1kma h GLY 3 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1kma h GLY 3 CO 0.00 0.00 0.05 3.43 0.00 0.00 0.00 176.54 180.02 1kma h ASN 4 N 0.00 0.17 0.34 0.19 2.35 -2.00 -3.15 115.58 113.47 1kma h ASN 4 Ca -0.00 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1kma h ASN 4 Cb 1.04 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1kma h ASN 4 CO 0.06 0.29 -0.16 1.55 -1.65 0.00 0.00 177.43 177.52 1kma h PRO 5 N 0.04 -0.44 -4.15 0.81 0.13 -1.86 -3.43 132.00 123.10 1kma h PRO 5 Ca 0.04 0.03 -0.74 0.00 -0.87 0.00 0.00 66.00 64.46 1kma h PRO 5 Cb 0.17 0.10 -0.15 0.00 0.13 0.00 0.00 31.00 31.25 1kma h PRO 5 CO -0.00 -0.29 1.81 0.00 -0.23 0.00 0.00 178.00 179.29 1kma n GLU 7 N 4.91 1.67 -1.58 0.00 4.07 -1.25 -4.64 120.64 123.82 1kma n GLU 7 Ca 0.40 -1.06 -0.30 0.00 -0.06 0.00 0.00 57.16 56.13 1kma n GLU 7 Cb 0.39 -0.83 0.09 0.00 -0.06 0.00 0.00 31.44 31.03 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1kma s PRO 9 N -5.17 1.84 0.00 0.00 0.04 -1.26 -4.92 135.00 125.52 1kma s PRO 9 Ca 0.60 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1kma s PRO 9 Cb -0.14 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1kma s PRO 9 CO 0.54 -1.71 2.02 0.54 0.04 0.00 0.00 177.00 178.44 1kma n ARG 10 N -3.41 1.04 -1.93 4.56 1.74 -1.26 -4.86 116.66 112.54 1kma n ARG 10 Ca 0.07 -0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.44 1kma n ARG 10 Cb 0.60 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kma s ALA 11 N 0.86 3.15 -0.64 7.54 0.00 -1.26 -4.95 121.76 126.46 1kma s ALA 11 Ca 0.19 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.51 1kma s ALA 11 Cb 0.09 -3.92 0.01 0.00 0.00 0.00 0.00 23.12 19.30 1kma s ALA 11 CO 0.00 -2.16 1.50 -0.51 0.00 0.00 0.00 175.76 174.59 1kma s LEU 12 N 5.94 3.28 -0.46 0.00 2.01 -1.26 -4.41 118.68 123.79 1kma s LEU 12 Ca 0.81 0.05 0.05 0.00 0.01 0.00 0.00 54.13 55.05 1kma s LEU 12 Cb -0.29 -2.73 0.18 0.00 0.01 0.00 0.00 46.19 43.36 1kma s LEU 12 CO 0.33 -1.95 0.51 1.57 1.01 0.00 0.00 176.35 177.82 1kma n HIS 13 N 10.42 -2.17 -1.73 0.29 -0.00 -0.68 -4.84 115.22 116.51 1kma n HIS 13 Ca 0.11 -2.48 -0.42 0.00 0.46 0.00 0.00 57.72 55.39 1kma n HIS 13 Cb 0.50 0.78 -0.02 0.00 -0.12 0.00 0.00 29.99 31.13 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kma n ARG 14 N 2.86 2.70 -4.29 1.57 5.12 -1.21 -3.52 116.66 119.89 1kma n ARG 14 Ca 0.25 0.97 -0.16 0.00 -1.93 0.00 0.00 57.85 56.98 1kma n ARG 14 Cb 0.51 -2.78 -0.10 0.00 -1.16 0.00 0.00 32.46 28.93 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1kma s VAL 15 N 0.66 0.68 -0.09 1.55 -7.23 0.41 -2.28 120.40 114.11 1kma s VAL 15 Ca 0.71 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1kma s VAL 15 Cb -0.51 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1kma s VAL 15 CO 0.39 -0.21 -0.16 0.00 -0.31 0.00 0.00 175.10 174.81 1kma s GLY 17 N -0.11 1.59 0.36 0.00 0.00 0.07 -4.26 107.32 104.98 1kma s GLY 17 Ca -0.03 -1.25 0.18 0.00 0.00 0.00 0.00 44.72 43.63 1kma s GLY 17 CO 0.04 -1.11 1.61 1.48 0.00 0.00 0.00 173.10 175.11 1kma h SER 18 N 0.61 0.34 0.00 1.64 4.64 -1.86 -0.29 113.55 118.63 1kma h SER 18 Ca -0.46 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1kma h SER 18 Cb 1.26 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1kma h SER 18 CO 0.55 -0.34 0.00 -0.67 -0.87 0.00 0.00 176.83 175.50 1kma n ASP 19 N -5.21 0.00 0.00 4.97 2.03 -1.26 -4.75 116.55 112.34 1kma n ASP 19 Ca 0.35 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1kma n ASP 19 Cb 1.16 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kma n GLY 20 N -0.12 1.07 3.56 0.27 0.00 -0.16 -4.99 105.19 104.81 1kma n GLY 20 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1kma n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kma s ASN 21 N -3.06 5.22 0.42 1.61 3.84 -0.91 -4.51 114.94 117.56 1kma s ASN 21 Ca 0.00 -0.27 -0.25 0.00 0.21 0.00 0.00 52.86 52.55 1kma s ASN 21 Cb 0.00 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 38.07 1kma s ASN 21 CO 0.00 -2.57 1.28 -0.89 -2.79 0.00 0.00 177.10 172.13 1kma s THR 22 N 9.55 2.68 0.10 -5.21 2.01 -1.26 -0.75 115.64 122.76 1kma s THR 22 Ca 0.68 0.58 0.05 0.00 0.31 0.00 0.00 61.69 63.31 1kma s THR 22 Cb -0.09 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1kma s THR 22 CO 0.08 0.06 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.64 1kma s TYR 23 N -1.31 1.24 0.33 4.92 1.51 0.15 -4.94 117.35 119.25 1kma s TYR 23 Ca 0.59 -0.56 0.13 0.00 -1.01 0.00 0.00 57.07 56.22 1kma s TYR 23 Cb -0.36 -0.67 1.03 0.00 -0.11 0.00 0.00 41.96 41.85 1kma s TYR 23 CO 0.46 0.07 1.68 0.77 -1.11 0.00 0.00 175.55 177.42 1kma h SER 24 N 3.74 0.54 -4.79 2.29 0.02 -1.86 0.12 113.55 113.61 1kma h SER 24 Ca -0.39 0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1kma h SER 24 Cb 1.19 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.70 1kma h SER 24 CO 0.49 -0.08 0.36 0.54 -1.14 0.00 0.00 176.83 176.99 1kma s ASN 25 N -4.97 -0.47 0.53 3.07 2.20 -1.23 -1.68 114.94 112.38 1kma s ASN 25 Ca -0.10 0.07 0.32 0.00 -0.94 0.00 0.00 52.86 52.21 1kma s ASN 25 Cb 0.29 0.48 1.22 0.00 -2.00 0.00 0.00 41.25 41.25 1kma s ASN 25 CO 0.79 -0.75 1.93 1.55 -2.94 0.00 0.00 177.10 177.68 1kma h PRO 26 N 2.10 0.00 -0.31 3.55 0.13 -1.87 -2.25 132.00 133.36 1kma h PRO 26 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1kma h PRO 26 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1kma h PRO 26 CO 0.34 0.00 0.19 0.00 -0.23 0.00 0.00 178.00 178.30 1kma h MET 28 N 0.40 0.31 0.83 0.00 2.86 -1.80 0.24 114.93 117.77 1kma h MET 28 Ca 0.11 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1kma h MET 28 Cb -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 31.61 1kma h MET 28 CO -0.02 0.37 -0.40 1.25 1.06 0.00 0.00 176.91 179.17 1kma h LEU 29 N 0.30 -0.95 -1.67 1.22 6.46 -1.36 0.24 115.31 119.55 1kma h LEU 29 Ca 0.07 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1kma h LEU 29 Cb 0.28 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1kma h LEU 29 CO 0.01 -0.64 0.16 0.00 -0.62 0.00 0.00 178.44 177.35 1kma h THR 30 N -1.19 1.09 0.56 1.05 1.03 -1.12 0.24 112.91 114.56 1kma h THR 30 Ca -0.11 -0.21 -0.02 0.00 -0.01 0.00 0.00 66.41 66.05 1kma h THR 30 Cb 0.86 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 1kma h THR 30 CO 0.19 0.09 -0.40 0.00 -0.01 0.00 0.00 175.52 175.39 1kma h ALA 32 N -1.23 0.16 0.03 0.00 0.00 -0.41 0.33 119.26 118.13 1kma h ALA 32 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1kma h ALA 32 Cb 0.75 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1kma h ALA 32 CO 0.04 -0.59 -0.49 -0.22 0.00 0.00 0.00 179.25 177.99 1kma h LYS 33 N -0.08 -0.61 0.00 0.00 3.64 -0.12 0.21 116.57 119.61 1kma h LYS 33 Ca 0.30 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1kma h LYS 33 Cb 0.57 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1kma h LYS 33 CO -0.80 -0.40 0.00 0.45 -2.27 0.00 0.00 179.45 176.43 1kma h HIS 34 N -0.63 0.00 0.13 1.91 3.86 -0.74 -1.34 115.15 118.34 1kma h HIS 34 Ca 0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 1kma h HIS 34 Cb 0.67 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.16 1kma h HIS 34 CO -0.49 0.00 -0.79 1.49 0.86 0.00 0.00 177.93 179.00 1kma h GLU 35 N 0.00 0.31 0.00 2.45 4.22 0.11 -3.46 114.58 118.21 1kma h GLU 35 Ca 0.00 -0.50 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1kma h GLU 35 Cb 0.41 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1kma h GLU 35 CO 0.00 1.23 0.00 0.41 -2.18 0.00 0.00 179.01 178.47 1kma n GLY 36 N 1.60 0.18 2.74 1.92 0.00 0.59 -4.78 105.19 107.45 1kma n GLY 36 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 1kma n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 37 N 0.00 4.16 0.32 1.61 2.85 -0.46 -4.92 115.26 118.82 1kma n ASN 37 Ca 0.00 -3.59 0.19 0.00 -0.11 0.00 0.00 54.58 51.08 1kma n ASN 37 Cb 0.09 -0.60 1.07 0.00 1.24 0.00 0.00 39.78 41.59 1kma n ASN 37 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1kma h PRO 38 N 3.42 0.00 0.00 1.20 0.13 -1.86 -0.82 132.00 134.07 1kma h PRO 38 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1kma h PRO 38 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1kma h PRO 38 CO 0.82 0.00 -0.50 0.22 -0.23 0.00 0.00 178.00 178.31 1kma h ASP 39 N 0.00 0.00 -4.19 1.44 3.58 -1.91 -3.45 116.42 111.89 1kma h ASP 39 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1kma h ASP 39 Cb 0.01 0.00 0.13 0.00 1.72 0.00 0.00 39.33 41.19 1kma h ASP 39 CO 0.00 0.50 0.38 -0.22 -2.88 0.00 0.00 179.24 177.02 1kma s LEU 40 N -6.77 3.35 -0.04 2.28 2.96 -0.31 -4.98 118.68 115.17 1kma s LEU 40 Ca 0.02 2.18 -0.16 0.00 -0.22 0.00 0.00 54.13 55.95 1kma s LEU 40 Cb 0.09 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.24 1kma s LEU 40 CO 0.73 -1.95 0.36 0.68 -1.32 0.00 0.00 176.35 174.85 1kma s VAL 41 N -2.16 0.04 -1.10 1.68 -7.23 -1.26 -4.98 120.40 105.40 1kma s VAL 41 Ca 0.71 -0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 60.31 1kma s VAL 41 Cb -0.25 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.05 1kma s VAL 41 CO 0.43 -0.19 1.76 -1.58 -0.31 0.00 0.00 175.10 175.21 1kma s GLN 42 N -1.03 3.18 0.09 4.82 2.00 -1.26 -3.77 119.66 123.69 1kma s GLN 42 Ca -0.11 -1.15 -0.34 0.00 -2.00 0.00 0.00 55.36 51.76 1kma s GLN 42 Cb -0.04 -5.31 -0.15 0.00 0.80 0.00 0.00 33.01 28.31 1kma s GLN 42 CO 0.04 -2.92 1.57 -0.39 -0.50 0.00 0.00 175.29 173.10 1kma h VAL 43 N 6.46 0.07 -1.81 1.34 -1.51 -1.94 -3.49 116.25 115.38 1kma h VAL 43 Ca 0.24 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.78 1kma h VAL 43 Cb 0.96 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1kma h VAL 43 CO 1.34 0.00 0.22 0.00 -1.23 0.00 0.00 177.57 177.89 1kma n HIS 44 N -5.52 -0.70 -2.06 5.19 -0.00 -1.26 -5.10 115.22 105.77 1kma n HIS 44 Ca -0.10 -0.38 -0.19 0.00 -0.00 0.00 0.00 57.72 57.04 1kma n HIS 44 Cb 0.43 0.18 0.12 0.00 -0.00 0.00 0.00 29.99 30.72 1kma n HIS 44 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1kma n GLU 45 N -0.25 -0.48 -0.33 -1.40 0.00 -1.26 -4.41 120.64 112.50 1kma n GLU 45 Ca -0.00 -1.73 0.00 0.00 0.00 0.00 0.00 57.16 55.43 1kma n GLU 45 Cb 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 31.44 30.86 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kma n GLY 46 N -1.03 -3.28 3.81 8.31 0.00 -1.24 -4.44 105.19 107.33 1kma n GLY 46 Ca 0.12 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1kma n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kma s PRO 47 N -5.29 4.34 -0.02 1.61 0.04 -0.96 -0.69 135.00 134.03 1kma s PRO 47 Ca 0.00 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1kma s PRO 47 Cb 0.00 -2.70 -0.26 0.00 0.04 0.00 0.00 34.50 31.58 1kma s PRO 47 CO 0.00 0.27 0.75 0.00 0.04 0.00 0.00 177.00 178.05 1kma s ASP 49 N -6.77 6.91 -1.40 0.00 -4.77 -1.26 -4.89 116.67 104.49 1kma s ASP 49 Ca -0.10 2.55 -0.10 0.00 -3.30 0.00 0.00 52.55 51.60 1kma s ASP 49 Cb 0.07 -2.64 0.08 0.00 -1.09 0.00 0.00 42.92 39.34 1kma s ASP 49 CO 0.83 -0.42 2.23 1.21 0.70 0.00 0.00 175.17 179.71 1kma n GLU 50 N 0.88 3.53 0.00 2.11 2.13 -1.26 -4.60 120.64 123.43 1kma n GLU 50 Ca -0.00 -3.02 0.00 0.00 0.66 0.00 0.00 57.16 54.80 1kma n GLU 50 Cb 0.43 -2.98 0.00 0.00 0.27 0.00 0.00 31.44 29.16 1kma n GLU 50 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1kma n HIS 51 N 4.24 0.00 -3.62 4.31 -0.00 -1.26 -5.15 115.22 113.74 1kma n HIS 51 Ca 0.53 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.69 1kma n HIS 51 Cb 0.34 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.19 1kma n HIS 51 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1kma s ASP 52 N -0.97 -0.12 -0.42 0.26 1.01 -1.26 -5.12 116.67 110.05 1kma s ASP 52 Ca 0.00 -0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.22 1kma s ASP 52 Cb 0.00 0.21 0.29 0.00 1.01 0.00 0.00 42.92 44.43 1kma s ASP 52 CO 0.00 -0.38 0.74 1.57 0.21 0.00 0.00 175.17 177.31 1kma n HIS 53 N -0.35 -1.20 -3.84 4.23 -0.00 -1.26 -4.86 115.22 107.94 1kma n HIS 53 Ca -0.06 -3.05 -0.03 0.00 -0.00 0.00 0.00 57.72 54.59 1kma n HIS 53 Cb 0.61 0.32 -0.01 0.00 -0.00 0.00 0.00 29.99 30.91 1kma n HIS 53 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1kma n ASP 54 N 0.99 -0.17 -0.75 0.26 5.75 -1.26 -5.13 116.55 116.24 1kma n ASP 54 Ca 0.17 -1.32 0.13 0.00 -0.01 0.00 0.00 54.79 53.76 1kma n ASP 54 Cb 0.61 0.34 0.29 0.00 -1.03 0.00 0.00 41.12 41.32 1kma n ASP 54 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58