#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma s GLN 2 N 0.00 0.85 0.00 3.97 0.74 -1.26 -4.98 119.66 118.98 1kma s GLN 2 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1kma s GLN 2 Cb 0.00 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1kma s GLN 2 CO 0.00 -0.37 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 1kma n GLY 3 N -0.17 1.09 0.23 2.59 0.00 -1.26 -4.41 105.19 103.25 1kma n GLY 3 Ca -0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.69 0.64 1.61 4.21 -1.98 -2.65 115.58 118.10 1kma h ASN 4 Ca 0.00 -0.19 -0.03 0.00 1.21 0.00 0.00 56.30 57.28 1kma h ASN 4 Cb 0.00 -0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.03 1kma h ASN 4 CO 0.00 0.70 -0.31 1.55 -1.29 0.00 0.00 177.43 178.09 1kma h PRO 5 N 0.64 -0.82 -3.78 0.81 0.13 -1.86 -3.42 132.00 123.70 1kma h PRO 5 Ca 0.16 0.06 -0.76 0.00 -0.87 0.00 0.00 66.00 64.58 1kma h PRO 5 Cb 0.25 0.19 -0.19 0.00 0.13 0.00 0.00 31.00 31.37 1kma h PRO 5 CO -0.01 -0.55 1.46 0.00 -0.23 0.00 0.00 178.00 178.67 1kma s GLU 7 N 0.02 -0.04 0.00 0.00 -6.30 -1.16 -4.27 118.70 106.95 1kma s GLU 7 Ca 0.38 0.19 0.00 0.00 -2.50 0.00 0.00 54.97 53.04 1kma s GLU 7 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 34.13 33.92 1kma s GLU 7 CO 0.01 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.13 1kma s PRO 9 N -2.00 3.00 -0.11 0.00 0.04 -1.26 -4.91 135.00 129.77 1kma s PRO 9 Ca 0.00 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1kma s PRO 9 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1kma s PRO 9 CO 0.00 -1.06 2.45 0.54 0.04 0.00 0.00 177.00 178.97 1kma n ARG 10 N -2.56 1.52 -2.00 4.56 1.74 -1.26 -4.88 116.66 113.78 1kma n ARG 10 Ca 0.09 -0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 55.99 1kma n ARG 10 Cb 0.53 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.30 3.65 -0.67 7.54 0.00 -1.26 -4.95 121.76 125.78 1kma s ALA 11 Ca 0.27 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 1kma s ALA 11 Cb 0.16 -3.69 -0.18 0.00 0.00 0.00 0.00 23.12 19.41 1kma s ALA 11 CO -0.02 -1.14 3.31 1.28 0.00 0.00 0.00 175.76 179.19 1kma n LEU 12 N 5.93 6.70 -4.58 0.00 7.99 -1.25 -4.29 117.00 127.50 1kma n LEU 12 Ca 0.16 -3.71 -0.32 0.00 -0.01 0.00 0.00 56.01 52.13 1kma n LEU 12 Cb 0.42 -1.46 -0.05 0.00 -0.11 0.00 0.00 43.42 42.22 1kma n LEU 12 CO 0.62 1.85 1.58 -1.00 -1.51 0.00 0.00 177.39 178.93 1kma s HIS 13 N 1.26 2.13 -0.97 -1.77 3.76 -0.10 -4.91 115.29 114.69 1kma s HIS 13 Ca 0.67 0.00 -0.25 0.00 -0.15 0.00 0.00 55.06 55.34 1kma s HIS 13 Cb 0.27 -4.19 -0.11 0.00 1.11 0.00 0.00 32.58 29.66 1kma s HIS 13 CO -0.03 -1.42 2.08 1.03 -0.85 0.00 0.00 174.74 175.55 1kma s ARG 14 N 6.01 2.08 0.18 1.40 1.81 -1.24 -2.19 118.95 127.01 1kma s ARG 14 Ca 0.65 -0.33 -0.00 0.00 -1.72 0.00 0.00 55.73 54.32 1kma s ARG 14 Cb -0.00 -5.02 -0.04 0.00 -0.45 0.00 0.00 34.95 29.43 1kma s ARG 14 CO 0.09 -4.13 0.36 0.14 -0.68 0.00 0.00 175.30 171.09 1kma s VAL 15 N 12.58 5.23 -0.10 3.52 -7.23 -0.07 -1.95 120.40 132.37 1kma s VAL 15 Ca 0.77 -0.40 -0.24 0.00 -1.81 0.00 0.00 61.98 60.31 1kma s VAL 15 Cb -0.07 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 1kma s VAL 15 CO 0.08 -0.13 0.73 0.00 -0.31 0.00 0.00 175.10 175.47 1kma s GLY 17 N 0.94 1.51 0.18 0.00 0.00 0.33 -4.17 107.32 106.11 1kma s GLY 17 Ca 0.37 -1.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 1kma s GLY 17 CO 0.16 -0.87 1.07 -1.14 0.00 0.00 0.00 173.10 172.32 1kma n SER 18 N -2.00 -0.33 -1.00 1.64 3.41 -1.00 -1.81 113.62 112.53 1kma n SER 18 Ca -0.00 1.19 -0.02 0.00 -0.26 0.00 0.00 58.87 59.78 1kma n SER 18 Cb 0.57 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 -5.08 2.68 0.00 4.04 9.92 -1.26 -4.65 116.55 122.19 1kma n ASP 19 Ca 0.09 -2.14 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 1kma n ASP 19 Cb 0.32 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 0.27 0.52 3.56 0.44 0.00 -0.96 -4.92 105.19 104.09 1kma n GLY 20 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.46 5.79 0.43 1.61 3.84 -0.75 -4.49 114.94 118.90 1kma s ASN 21 Ca 0.00 -1.12 -0.25 0.00 0.21 0.00 0.00 52.86 51.70 1kma s ASN 21 Cb 0.00 -2.57 -0.08 0.00 -0.55 0.00 0.00 41.25 38.05 1kma s ASN 21 CO 0.00 -2.17 1.28 -0.89 -2.79 0.00 0.00 177.10 172.53 1kma s THR 22 N 7.71 2.64 0.11 -5.21 2.01 -1.26 -0.51 115.64 121.13 1kma s THR 22 Ca 0.59 0.55 0.07 0.00 0.31 0.00 0.00 61.69 63.21 1kma s THR 22 Cb -0.03 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1kma s THR 22 CO -0.04 0.06 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.46 1kma s TYR 23 N -1.31 1.63 0.18 4.92 1.51 0.12 -4.84 117.35 119.56 1kma s TYR 23 Ca 0.60 -0.46 0.35 0.00 -1.01 0.00 0.00 57.07 56.54 1kma s TYR 23 Cb -0.37 -0.87 1.67 0.00 -0.11 0.00 0.00 41.96 42.28 1kma s TYR 23 CO 0.46 0.20 2.05 0.77 -1.11 0.00 0.00 175.55 177.92 1kma h SER 24 N 3.83 0.00 -4.68 2.29 0.02 -1.85 -0.15 113.55 113.02 1kma h SER 24 Ca -0.43 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1kma h SER 24 Cb 1.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 1kma h SER 24 CO 0.44 0.00 0.37 0.54 -1.14 0.00 0.00 176.83 177.04 1kma s ASN 25 N -5.12 -0.49 0.55 3.07 2.20 -0.93 -0.93 114.94 113.30 1kma s ASN 25 Ca -0.01 0.29 0.34 0.00 -0.94 0.00 0.00 52.86 52.54 1kma s ASN 25 Cb 0.10 0.45 1.45 0.00 -2.00 0.00 0.00 41.25 41.25 1kma s ASN 25 CO 0.44 -0.62 2.02 1.55 -2.94 0.00 0.00 177.10 177.55 1kma h PRO 26 N 2.41 0.00 0.84 3.55 0.13 -1.86 -2.05 132.00 135.01 1kma h PRO 26 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1kma h PRO 26 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1kma h PRO 26 CO 0.34 0.03 -0.40 0.00 -0.23 0.00 0.00 178.00 177.74 1kma h MET 28 N -1.12 0.52 0.24 0.00 2.86 -1.78 0.48 114.93 116.13 1kma h MET 28 Ca -0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1kma h MET 28 Cb 0.86 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1kma h MET 28 CO 0.19 0.40 -0.25 1.25 1.06 0.00 0.00 176.91 179.55 1kma h LEU 29 N 0.52 -0.70 -1.90 1.22 6.46 -1.39 -0.36 115.31 119.17 1kma h LEU 29 Ca 0.13 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.93 1kma h LEU 29 Cb 0.05 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1kma h LEU 29 CO -0.02 -0.33 -0.11 0.00 -0.62 0.00 0.00 178.44 177.36 1kma h THR 30 N -0.50 0.89 0.68 1.05 1.03 -0.11 0.20 112.91 116.15 1kma h THR 30 Ca -0.03 -0.39 -0.03 0.00 -0.01 0.00 0.00 66.41 65.94 1kma h THR 30 Cb 0.43 1.22 0.01 0.00 -1.07 0.00 0.00 68.15 68.74 1kma h THR 30 CO -0.04 0.11 -0.33 0.00 -0.01 0.00 0.00 175.52 175.25 1kma h ALA 32 N -1.57 0.21 -0.12 0.00 0.00 -0.24 0.44 119.26 117.98 1kma h ALA 32 Ca -0.09 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1kma h ALA 32 Cb 0.70 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1kma h ALA 32 CO 0.15 -0.57 -0.43 -0.22 0.00 0.00 0.00 179.25 178.18 1kma h LYS 33 N -0.06 -0.44 0.00 0.00 3.64 -0.49 0.36 116.57 119.58 1kma h LYS 33 Ca 0.33 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1kma h LYS 33 Cb 0.59 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1kma h LYS 33 CO -0.85 -0.29 0.00 0.45 -2.27 0.00 0.00 179.45 176.49 1kma h HIS 34 N -0.45 0.00 0.06 1.91 3.86 -0.46 -1.11 115.15 118.95 1kma h HIS 34 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1kma h HIS 34 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1kma h HIS 34 CO -0.56 0.00 -0.03 1.49 0.86 0.00 0.00 177.93 179.69 1kma h GLU 35 N 0.00 -0.07 0.00 2.45 4.22 0.65 -3.47 114.58 118.36 1kma h GLU 35 Ca 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1kma h GLU 35 Cb 0.50 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1kma h GLU 35 CO 0.00 -0.05 -0.25 0.41 -2.18 0.00 0.00 179.01 176.94 1kma n GLY 36 N 1.14 0.79 2.58 1.92 0.00 0.12 -4.74 105.19 107.00 1kma n GLY 36 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 0.04 2.92 0.32 1.61 2.85 -0.45 -4.95 115.26 117.59 1kma n ASN 37 Ca -0.05 -3.34 0.20 0.00 -0.11 0.00 0.00 54.58 51.28 1kma n ASN 37 Cb 0.64 -0.56 1.08 0.00 1.24 0.00 0.00 39.78 42.18 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 2.92 0.00 -0.31 1.20 0.13 -1.77 0.49 132.00 134.66 1kma h PRO 38 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1kma h PRO 38 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1kma h PRO 38 CO 0.68 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.98 1kma h ASP 39 N 0.00 0.46 -4.17 1.44 5.19 -1.93 -3.46 116.42 113.95 1kma h ASP 39 Ca 0.01 -0.09 -0.52 0.00 -0.62 0.00 0.00 57.03 55.81 1kma h ASP 39 Cb 0.12 -0.12 0.13 0.00 0.18 0.00 0.00 39.33 39.64 1kma h ASP 39 CO -0.00 0.54 0.40 -0.22 -3.12 0.00 0.00 179.24 176.84 1kma s LEU 40 N -9.00 3.40 -0.00 1.55 2.96 0.16 -5.02 118.68 112.72 1kma s LEU 40 Ca -0.07 2.22 -0.15 0.00 -0.22 0.00 0.00 54.13 55.92 1kma s LEU 40 Cb 0.15 -4.58 0.02 0.00 0.50 0.00 0.00 46.19 42.29 1kma s LEU 40 CO 0.76 -1.93 0.31 0.68 -1.32 0.00 0.00 176.35 174.85 1kma s VAL 41 N -2.06 0.06 -1.10 1.68 -7.23 -1.26 -4.97 120.40 105.52 1kma s VAL 41 Ca 0.72 -0.53 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 1kma s VAL 41 Cb -0.26 -0.69 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1kma s VAL 41 CO 0.42 -0.29 1.69 -1.58 -0.31 0.00 0.00 175.10 175.03 1kma s GLN 42 N -1.62 3.36 0.41 4.82 0.74 -1.26 -2.38 119.66 123.73 1kma s GLN 42 Ca -0.12 -1.22 0.15 0.00 0.05 0.00 0.00 55.36 54.22 1kma s GLN 42 Cb -0.04 -5.34 1.02 0.00 1.10 0.00 0.00 33.01 29.75 1kma s GLN 42 CO 0.02 -2.69 1.89 -0.39 -0.55 0.00 0.00 175.29 173.58 1kma h VAL 43 N 6.45 0.77 0.00 1.34 -1.51 -1.92 -3.46 116.25 117.92 1kma h VAL 43 Ca 0.25 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 1kma h VAL 43 Cb 0.96 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1kma h VAL 43 CO 1.37 0.08 0.00 0.00 -1.23 0.00 0.00 177.57 177.79 1kma n HIS 44 N -4.50 0.00 -2.25 5.19 -0.00 -1.26 -5.07 115.22 107.33 1kma n HIS 44 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.62 1kma n HIS 44 Cb 0.57 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.70 1kma n HIS 44 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kma s GLU 45 N -2.00 1.19 0.11 -1.40 2.02 -1.26 -4.25 118.70 113.12 1kma s GLU 45 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1kma s GLU 45 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1kma s GLU 45 CO 0.00 -1.91 0.00 0.41 0.02 0.00 0.00 175.26 173.78 1kma n GLY 46 N -3.30 -3.35 3.86 -1.39 0.00 -1.26 -4.63 105.19 95.12 1kma n GLY 46 Ca 0.15 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -5.46 3.89 0.01 1.61 0.04 -0.82 0.12 135.00 134.38 1kma s PRO 47 Ca 0.00 0.60 0.06 0.00 0.04 0.00 0.00 61.00 61.69 1kma s PRO 47 Cb 0.00 -2.39 -0.24 0.00 0.04 0.00 0.00 34.50 31.91 1kma s PRO 47 CO 0.00 0.03 0.86 0.00 0.04 0.00 0.00 177.00 177.93 1kma s ASP 49 N -6.55 2.75 0.00 0.00 2.15 -1.26 -5.01 116.67 108.75 1kma s ASP 49 Ca -0.05 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1kma s ASP 49 Cb 0.08 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 1kma s ASP 49 CO 0.83 -3.11 0.05 1.21 -0.17 0.00 0.00 175.17 173.99 1kma n GLU 50 N -4.20 0.00 0.18 4.34 2.13 -1.26 -4.96 120.64 116.87 1kma n GLU 50 Ca 0.07 -0.05 0.08 0.00 0.66 0.00 0.00 57.16 57.91 1kma n GLU 50 Cb 0.55 -0.15 0.14 0.00 0.27 0.00 0.00 31.44 32.24 1kma n GLU 50 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1kma h HIS 51 N 0.00 0.00 -3.43 4.31 2.76 -2.02 -3.45 115.15 113.32 1kma h HIS 51 Ca 0.00 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.65 1kma h HIS 51 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1kma h HIS 51 CO 0.00 0.25 0.50 0.16 -1.30 0.00 0.00 177.93 177.54 1kma s ASP 52 N -6.31 7.20 -0.39 3.26 -4.77 -1.26 -4.95 116.67 109.45 1kma s ASP 52 Ca 0.05 2.05 0.11 0.00 -3.30 0.00 0.00 52.55 51.45 1kma s ASP 52 Cb 0.07 -2.59 0.37 0.00 -1.09 0.00 0.00 42.92 39.67 1kma s ASP 52 CO 0.70 -0.31 1.04 1.41 0.70 0.00 0.00 175.17 178.71 1kma n HIS 53 N 2.97 -1.17 -2.19 2.11 8.25 -1.26 -5.15 115.22 118.78 1kma n HIS 53 Ca 0.05 -2.66 -0.26 0.00 -0.26 0.00 0.00 57.72 54.59 1kma n HIS 53 Cb 0.46 0.69 0.10 0.00 1.12 0.00 0.00 29.99 32.36 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 -1.93 4.43 0.00 0.41 -1.08 -1.26 -5.33 116.67 111.91 1kma s ASP 54 Ca 0.28 0.33 0.26 0.00 -0.52 0.00 0.00 52.55 52.90 1kma s ASP 54 Cb 0.37 -0.82 1.58 0.00 -1.46 0.00 0.00 42.92 42.58 1kma s ASP 54 CO -0.05 -1.85 1.93 0.49 0.52 0.00 0.00 175.17 176.21