#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 0.06 3.97 0.00 -1.26 -4.97 117.38 115.17 1kma n GLN 2 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 1kma n GLN 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1kma n GLY 3 N -1.43 -1.30 0.12 1.69 0.00 -1.26 -0.93 105.19 102.08 1kma n GLY 3 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1kma n GLY 3 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kma h ASN 4 N 0.00 -0.18 0.42 1.61 2.35 -2.01 -3.37 115.58 114.40 1kma h ASN 4 Ca 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1kma h ASN 4 Cb 0.89 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1kma h ASN 4 CO 0.00 0.09 -0.20 1.55 -1.65 0.00 0.00 177.43 177.22 1kma h PRO 5 N -0.45 -0.55 -4.81 0.81 0.13 -1.87 -3.43 132.00 121.82 1kma h PRO 5 Ca -0.02 0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 64.45 1kma h PRO 5 Cb 0.36 0.12 -0.19 0.00 0.13 0.00 0.00 31.00 31.42 1kma h PRO 5 CO 0.03 -0.30 0.35 0.00 -0.23 0.00 0.00 178.00 177.86 1kma n GLU 7 N 6.40 -0.11 -1.68 0.00 0.28 -1.26 -4.53 120.64 119.74 1kma n GLU 7 Ca 0.01 -0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.66 1kma n GLU 7 Cb 0.45 -0.55 0.07 0.00 1.43 0.00 0.00 31.44 32.83 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kma s PRO 9 N -5.21 2.09 0.00 0.00 0.04 -1.26 -4.91 135.00 125.75 1kma s PRO 9 Ca 0.59 0.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1kma s PRO 9 Cb -0.13 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1kma s PRO 9 CO 0.53 -1.61 1.85 0.54 0.04 0.00 0.00 177.00 178.36 1kma n ARG 10 N -3.41 0.91 -1.94 4.56 3.00 -1.26 -4.86 116.66 113.65 1kma n ARG 10 Ca 0.07 -0.39 -0.42 0.00 -0.01 0.00 0.00 57.85 57.10 1kma n ARG 10 Cb 0.57 -1.63 -0.03 0.00 0.00 0.00 0.00 32.46 31.37 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kma s ALA 11 N 1.72 3.51 0.00 7.54 0.00 -1.26 -4.91 121.76 128.36 1kma s ALA 11 Ca 0.26 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1kma s ALA 11 Cb 0.12 -3.80 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 1kma s ALA 11 CO 0.00 -1.58 2.12 1.28 0.00 0.00 0.00 175.76 177.58 1kma n LEU 12 N 7.63 4.67 -3.51 0.00 7.99 -1.26 -4.38 117.00 128.14 1kma n LEU 12 Ca 0.19 -2.30 -0.40 0.00 -0.01 0.00 0.00 56.01 53.49 1kma n LEU 12 Cb 0.43 -1.05 -0.02 0.00 -0.11 0.00 0.00 43.42 42.67 1kma n LEU 12 CO 0.64 1.02 3.02 1.41 -1.51 0.00 0.00 177.39 181.97 1kma n HIS 13 N 1.81 2.91 -1.76 -1.77 8.25 -1.01 -4.95 115.22 118.69 1kma n HIS 13 Ca 0.09 -2.99 -0.41 0.00 -0.26 0.00 0.00 57.72 54.15 1kma n HIS 13 Cb 0.53 -2.49 -0.01 0.00 1.12 0.00 0.00 29.99 29.14 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1kma n ARG 14 N 4.85 2.69 -4.14 -0.41 1.74 -1.06 -3.59 116.66 116.73 1kma n ARG 14 Ca 0.65 0.95 -0.10 0.00 -0.77 0.00 0.00 57.85 58.57 1kma n ARG 14 Cb 0.31 -2.70 -0.09 0.00 -1.02 0.00 0.00 32.46 28.95 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1kma s VAL 15 N -0.57 0.05 -0.07 1.55 -7.23 0.35 -3.19 120.40 111.30 1kma s VAL 15 Ca 0.58 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1kma s VAL 15 Cb -0.49 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1kma s VAL 15 CO 0.56 -0.25 0.04 0.00 -0.31 0.00 0.00 175.10 175.14 1kma s GLY 17 N -1.14 1.66 0.33 0.00 0.00 0.30 -4.44 107.32 104.03 1kma s GLY 17 Ca 0.16 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 43.75 1kma s GLY 17 CO 0.06 -1.15 1.41 -1.14 0.00 0.00 0.00 173.10 172.28 1kma n SER 18 N -1.94 0.29 -0.99 1.64 3.41 -1.25 -0.76 113.62 114.02 1kma n SER 18 Ca 0.02 1.49 0.04 0.00 -0.26 0.00 0.00 58.87 60.16 1kma n SER 18 Cb 0.58 -0.72 0.18 0.00 -0.26 0.00 0.00 64.21 64.00 1kma n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kma n ASP 19 N -5.04 2.79 0.00 4.04 9.92 -1.26 -4.78 116.55 122.22 1kma n ASP 19 Ca 0.33 -2.29 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 1kma n ASP 19 Cb 1.13 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kma n GLY 20 N 0.57 1.43 3.56 0.44 0.00 0.06 -4.94 105.19 106.30 1kma n GLY 20 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.18 5.04 0.42 1.61 3.84 -0.98 -4.54 114.94 117.16 1kma s ASN 21 Ca 0.00 -0.33 -0.25 0.00 0.21 0.00 0.00 52.86 52.49 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 -2.76 1.29 -0.89 -2.79 0.00 0.00 177.10 171.95 1kma s THR 22 N 10.31 2.64 0.15 -5.21 2.01 -1.26 -0.53 115.64 123.75 1kma s THR 22 Ca 0.72 0.56 0.08 0.00 0.31 0.00 0.00 61.69 63.35 1kma s THR 22 Cb -0.09 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1kma s THR 22 CO 0.06 0.06 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.57 1kma s TYR 23 N -1.30 1.68 0.40 4.92 2.02 0.14 -4.90 117.35 120.30 1kma s TYR 23 Ca 0.59 -0.50 0.19 0.00 -0.37 0.00 0.00 57.07 56.98 1kma s TYR 23 Cb -0.37 -0.85 1.08 0.00 -0.40 0.00 0.00 41.96 41.42 1kma s TYR 23 CO 0.47 0.26 1.97 0.66 -1.57 0.00 0.00 175.55 177.34 1kma h SER 24 N 3.34 0.00 -4.70 2.29 4.64 -1.87 0.10 113.55 117.35 1kma h SER 24 Ca -0.41 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1kma h SER 24 Cb 1.20 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 1kma h SER 24 CO 0.51 0.22 0.33 0.54 -0.87 0.00 0.00 176.83 177.56 1kma s ASN 25 N -6.65 -0.53 0.44 4.97 2.20 -1.24 -2.39 114.94 111.75 1kma s ASN 25 Ca -0.03 0.44 0.24 0.00 -0.94 0.00 0.00 52.86 52.57 1kma s ASN 25 Cb 0.14 0.46 0.90 0.00 -2.00 0.00 0.00 41.25 40.76 1kma s ASN 25 CO 0.66 -0.58 1.82 1.55 -2.94 0.00 0.00 177.10 177.61 1kma h PRO 26 N 2.61 0.00 -0.63 3.55 0.13 -1.88 -2.68 132.00 133.10 1kma h PRO 26 Ca -0.25 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1kma h PRO 26 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1kma h PRO 26 CO 0.36 0.22 0.34 0.00 -0.23 0.00 0.00 178.00 178.68 1kma h MET 28 N 0.64 0.03 0.33 0.00 2.86 -1.86 -1.80 114.93 115.13 1kma h MET 28 Ca 0.28 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1kma h MET 28 Cb 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1kma h MET 28 CO -0.18 0.39 -0.16 1.25 1.06 0.00 0.00 176.91 179.27 1kma h LEU 29 N 0.03 -0.37 -1.99 1.22 6.46 -1.37 -0.70 115.31 118.59 1kma h LEU 29 Ca 0.00 0.01 0.21 0.00 -0.12 0.00 0.00 57.88 57.98 1kma h LEU 29 Cb 0.65 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1kma h LEU 29 CO 0.05 -0.22 0.54 0.00 -0.62 0.00 0.00 178.44 178.19 1kma h THR 30 N -0.53 0.59 0.85 1.05 1.03 -1.44 0.75 112.91 115.20 1kma h THR 30 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.31 1kma h THR 30 Cb 0.34 0.62 0.01 0.00 -1.07 0.00 0.00 68.15 68.05 1kma h THR 30 CO 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 175.52 175.18 1kma h ALA 32 N -1.38 0.35 0.07 0.00 0.00 0.13 0.38 119.26 118.81 1kma h ALA 32 Ca -0.12 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1kma h ALA 32 Cb 0.87 0.79 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1kma h ALA 32 CO 0.19 -0.51 -0.36 -0.22 0.00 0.00 0.00 179.25 178.35 1kma h LYS 33 N -0.03 -0.49 0.00 0.00 3.64 -0.62 0.20 116.57 119.28 1kma h LYS 33 Ca 0.37 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1kma h LYS 33 Cb 0.61 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1kma h LYS 33 CO -0.89 -0.33 0.00 0.72 -2.27 0.00 0.00 179.45 176.68 1kma n HIS 34 N -4.51 0.67 -0.05 1.91 8.25 -0.68 -1.73 115.22 119.07 1kma n HIS 34 Ca -0.06 0.29 -0.02 0.00 -0.26 0.00 0.00 57.72 57.67 1kma n HIS 34 Cb 0.28 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.40 1kma n HIS 34 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1kma h GLU 35 N 0.00 -0.00 0.00 -0.41 4.22 0.10 -3.47 114.58 115.02 1kma h GLU 35 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 1kma h GLU 35 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1kma h GLU 35 CO 0.00 0.18 -0.12 0.41 -2.18 0.00 0.00 179.01 177.30 1kma n GLY 36 N 1.75 0.06 2.36 1.92 0.00 0.59 -4.83 105.19 107.03 1kma n GLY 36 Ca -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.27 1.63 0.10 1.61 2.85 -0.46 -4.95 115.26 115.78 1kma n ASN 37 Ca -0.10 -3.12 0.10 0.00 -0.11 0.00 0.00 54.58 51.34 1kma n ASN 37 Cb 0.53 -0.61 0.44 0.00 1.24 0.00 0.00 39.78 41.37 1kma n ASN 37 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1kma n PRO 38 N 0.38 0.13 0.10 1.20 -0.04 -1.24 -1.28 135.00 134.24 1kma n PRO 38 Ca 0.26 0.47 -0.01 0.00 -0.04 0.00 0.00 63.50 64.17 1kma n PRO 38 Cb 0.57 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1kma n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1kma h ASP 39 N 0.00 0.00 -4.17 3.54 3.58 -1.93 -3.46 116.42 113.98 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 0.20 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.37 1kma h ASP 39 CO 0.00 0.70 0.40 -0.22 -2.88 0.00 0.00 179.24 177.24 1kma s LEU 40 N -6.52 3.43 -0.07 2.28 2.96 -0.41 -5.02 118.68 115.35 1kma s LEU 40 Ca 0.02 2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 56.03 1kma s LEU 40 Cb 0.09 -4.57 0.02 0.00 0.50 0.00 0.00 46.19 42.22 1kma s LEU 40 CO 0.78 -1.83 0.27 0.68 -1.32 0.00 0.00 176.35 174.92 1kma s VAL 41 N -2.06 0.03 -1.03 1.68 -7.23 -1.26 -4.97 120.40 105.56 1kma s VAL 41 Ca 0.72 -0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1kma s VAL 41 Cb -0.25 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.22 1kma s VAL 41 CO 0.40 -0.12 1.76 -1.58 -0.31 0.00 0.00 175.10 175.25 1kma s GLN 42 N -0.46 3.06 0.10 4.82 2.00 -1.26 -3.81 119.66 124.11 1kma s GLN 42 Ca -0.06 -0.91 -0.23 0.00 -2.00 0.00 0.00 55.36 52.16 1kma s GLN 42 Cb -0.04 -5.25 -0.12 0.00 0.80 0.00 0.00 33.01 28.41 1kma s GLN 42 CO 0.02 -2.95 1.72 -0.39 -0.50 0.00 0.00 175.29 173.18 1kma h VAL 43 N 6.74 0.87 -1.18 1.34 -1.51 -1.94 -3.49 116.25 117.08 1kma h VAL 43 Ca 0.19 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.72 1kma h VAL 43 Cb 0.98 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1kma h VAL 43 CO 1.32 0.00 0.15 1.57 -1.23 0.00 0.00 177.57 179.38 1kma n HIS 44 N -5.16 -0.04 -0.99 5.19 -0.00 -1.26 -5.10 115.22 107.86 1kma n HIS 44 Ca -0.06 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.04 1kma n HIS 44 Cb 0.09 0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.00 1kma n HIS 44 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1kma n GLU 45 N -0.15 0.90 -0.64 1.57 1.02 -1.26 -4.48 120.64 117.61 1kma n GLU 45 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1kma n GLU 45 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kma n GLY 46 N 5.00 -3.86 3.73 0.62 0.00 -1.24 -4.07 105.19 105.37 1kma n GLY 46 Ca 0.00 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.93 4.66 0.02 1.61 0.04 -1.19 -1.21 135.00 136.00 1kma s PRO 47 Ca 0.00 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1kma s PRO 47 Cb 0.00 -3.33 -0.24 0.00 0.04 0.00 0.00 34.50 30.97 1kma s PRO 47 CO 0.00 0.16 1.12 0.00 0.04 0.00 0.00 177.00 178.32 1kma s ASP 49 N -6.92 7.03 -0.41 0.00 -1.08 -1.26 -4.99 116.67 109.04 1kma s ASP 49 Ca -0.12 1.86 0.06 0.00 -0.52 0.00 0.00 52.55 53.82 1kma s ASP 49 Cb 0.04 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 39.12 1kma s ASP 49 CO 0.85 -0.59 0.53 -0.70 0.52 0.00 0.00 175.17 175.77 1kma s GLU 50 N 2.18 0.79 -0.47 4.34 2.12 -1.26 -5.03 118.70 121.37 1kma s GLU 50 Ca 0.57 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1kma s GLU 50 Cb -0.26 -0.33 0.19 0.00 0.26 0.00 0.00 34.13 33.99 1kma s GLU 50 CO 0.23 -1.22 0.72 -1.01 -0.54 0.00 0.00 175.26 173.43 1kma s HIS 51 N 1.44 -1.57 -0.20 5.30 3.76 -1.26 -5.13 115.29 117.63 1kma s HIS 51 Ca 0.19 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 1kma s HIS 51 Cb -0.08 0.30 -0.07 0.00 1.11 0.00 0.00 32.58 33.85 1kma s HIS 51 CO -0.06 -1.18 2.17 -0.40 -0.85 0.00 0.00 174.74 174.42 1kma n ASP 52 N 3.42 3.21 -2.66 1.40 5.75 -1.26 -4.90 116.55 121.50 1kma n ASP 52 Ca 0.15 0.37 -0.36 0.00 -0.01 0.00 0.00 54.79 54.94 1kma n ASP 52 Cb 0.57 -1.50 0.04 0.00 -1.03 0.00 0.00 41.12 39.20 1kma n ASP 52 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1kma n HIS 53 N 10.60 3.09 -4.03 2.11 8.25 -1.26 -4.95 115.22 129.04 1kma n HIS 53 Ca 0.30 -2.60 -0.12 0.00 -0.26 0.00 0.00 57.72 55.04 1kma n HIS 53 Cb 0.40 -1.03 -0.04 0.00 1.12 0.00 0.00 29.99 30.44 1kma n HIS 53 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kma s ASP 54 N -1.78 0.37 0.00 0.41 -1.08 -1.26 -5.36 116.67 107.97 1kma s ASP 54 Ca 0.54 -1.22 0.25 0.00 -0.52 0.00 0.00 52.55 51.61 1kma s ASP 54 Cb 0.45 0.64 0.48 0.00 -1.46 0.00 0.00 42.92 43.03 1kma s ASP 54 CO -0.26 -1.26 1.42 0.49 0.52 0.00 0.00 175.17 176.08