#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 0.78 0.00 3.97 -0.44 -1.26 -4.97 119.66 117.73 1kma s GLN 2 Ca 0.00 -0.33 0.00 0.00 -2.50 0.00 0.00 55.36 52.53 1kma s GLN 2 Cb 0.00 0.33 0.00 0.00 -1.64 0.00 0.00 33.01 31.70 1kma s GLN 2 CO 0.00 -0.34 0.00 0.41 0.50 0.00 0.00 175.29 175.86 1kma n GLY 3 N -0.28 1.22 0.24 2.59 0.00 -1.26 -4.46 105.19 103.24 1kma n GLY 3 Ca -0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1kma n GLY 3 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1kma h ASN 4 N 0.00 0.74 -0.66 1.61 -0.00 -1.99 -0.63 115.58 114.65 1kma h ASN 4 Ca 0.00 -0.17 0.19 0.00 -0.00 0.00 0.00 56.30 56.32 1kma h ASN 4 Cb 0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 38.10 1kma h ASN 4 CO 0.00 0.71 0.65 1.55 -0.00 0.00 0.00 177.43 180.33 1kma h PRO 5 N 0.73 0.00 -0.50 6.67 0.13 -1.88 -1.11 132.00 136.04 1kma h PRO 5 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1kma h PRO 5 Cb 0.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.28 1kma h PRO 5 CO -0.02 0.00 0.07 0.00 -0.23 0.00 0.00 178.00 177.83 1kma n GLU 7 N -0.14 1.04 -3.75 0.00 2.13 -0.42 -4.75 120.64 114.74 1kma n GLU 7 Ca 0.30 -1.80 -0.07 0.00 0.66 0.00 0.00 57.16 56.25 1kma n GLU 7 Cb 1.14 -3.15 -0.02 0.00 0.27 0.00 0.00 31.44 29.68 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kma s PRO 9 N -3.69 3.74 0.00 0.00 0.04 -1.26 -4.94 135.00 128.89 1kma s PRO 9 Ca 0.10 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 1kma s PRO 9 Cb -0.04 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1kma s PRO 9 CO 0.02 -0.45 2.49 0.54 0.04 0.00 0.00 177.00 179.64 1kma n ARG 10 N -2.20 1.31 -2.07 4.56 1.74 -1.26 -4.93 116.66 113.80 1kma n ARG 10 Ca 0.06 -0.35 -0.40 0.00 -0.77 0.00 0.00 57.85 56.39 1kma n ARG 10 Cb 0.54 -1.38 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.46 3.43 -0.21 7.54 0.00 -1.26 -4.93 121.76 126.80 1kma s ALA 11 Ca 0.24 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 1kma s ALA 11 Cb 0.11 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1kma s ALA 11 CO 0.00 -0.73 2.46 1.28 0.00 0.00 0.00 175.76 178.77 1kma n LEU 12 N 0.56 5.97 -2.23 0.00 7.99 -1.26 -4.03 117.00 124.00 1kma n LEU 12 Ca 0.01 -3.21 -0.22 0.00 -0.01 0.00 0.00 56.01 52.58 1kma n LEU 12 Cb 0.42 -1.18 -0.03 0.00 -0.11 0.00 0.00 43.42 42.53 1kma n LEU 12 CO 0.58 1.36 1.44 1.41 -1.51 0.00 0.00 177.39 180.68 1kma n HIS 13 N 1.14 1.48 -1.51 -1.77 8.25 -0.37 -4.93 115.22 117.50 1kma n HIS 13 Ca 0.29 -1.93 -0.41 0.00 -0.26 0.00 0.00 57.72 55.41 1kma n HIS 13 Cb 0.61 -1.23 0.01 0.00 1.12 0.00 0.00 29.99 30.51 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 0.77 0.81 -4.07 -0.41 1.74 -0.64 -4.10 116.66 110.77 1kma n ARG 14 Ca 0.41 0.30 -0.12 0.00 -0.77 0.00 0.00 57.85 57.67 1kma n ARG 14 Cb 0.58 -1.72 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.44 0.00 -0.06 1.55 -7.23 -0.35 -3.41 120.40 109.46 1kma s VAL 15 Ca 0.65 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1kma s VAL 15 Cb -0.56 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1kma s VAL 15 CO 0.57 0.00 -0.19 0.00 -0.31 0.00 0.00 175.10 175.17 1kma s GLY 17 N -0.38 1.50 0.52 0.00 0.00 0.23 -3.53 107.32 105.66 1kma s GLY 17 Ca 0.04 -1.20 0.25 0.00 0.00 0.00 0.00 44.72 43.81 1kma s GLY 17 CO 0.02 -1.10 1.75 1.48 0.00 0.00 0.00 173.10 175.25 1kma h SER 18 N 0.71 0.00 0.87 1.64 4.64 -1.86 0.15 113.55 119.71 1kma h SER 18 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1kma h SER 18 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1kma h SER 18 CO 0.57 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.86 1kma n ASP 19 N -2.57 0.00 0.00 4.97 2.03 -1.26 -4.89 116.55 114.83 1kma n ASP 19 Ca -0.02 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.69 1kma n ASP 19 Cb 0.28 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.27 0.62 3.62 0.27 0.00 0.52 -5.05 105.19 106.45 1kma n GLY 20 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1kma n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kma s ASN 21 N -2.78 6.38 0.45 1.61 2.20 -1.18 -3.98 114.94 117.64 1kma s ASN 21 Ca 0.00 1.43 -0.24 0.00 -0.94 0.00 0.00 52.86 53.11 1kma s ASN 21 Cb 0.00 -2.53 -0.07 0.00 -2.00 0.00 0.00 41.25 36.64 1kma s ASN 21 CO 0.00 -1.29 1.26 -0.89 -2.94 0.00 0.00 177.10 173.24 1kma s THR 22 N 5.25 2.68 0.12 0.54 2.01 -1.16 -0.60 115.64 124.49 1kma s THR 22 Ca 0.69 0.55 0.10 0.00 0.31 0.00 0.00 61.69 63.34 1kma s THR 22 Cb -0.22 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1kma s THR 22 CO 0.29 0.03 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.70 1kma s TYR 23 N -1.37 2.05 0.54 4.92 1.51 0.12 -4.90 117.35 120.22 1kma s TYR 23 Ca 0.62 -0.40 0.23 0.00 -1.01 0.00 0.00 57.07 56.52 1kma s TYR 23 Cb -0.35 -1.11 1.54 0.00 -0.11 0.00 0.00 41.96 41.92 1kma s TYR 23 CO 0.43 0.28 2.18 0.77 -1.11 0.00 0.00 175.55 178.11 1kma h SER 24 N 3.92 0.00 -4.94 2.29 0.02 -1.89 -0.93 113.55 112.03 1kma h SER 24 Ca -0.48 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.54 1kma h SER 24 Cb 1.18 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.60 1kma h SER 24 CO 0.40 0.02 0.37 0.54 -1.14 0.00 0.00 176.83 177.02 1kma s ASN 25 N -6.55 -0.38 0.39 3.07 2.20 -1.26 -1.23 114.94 111.18 1kma s ASN 25 Ca -0.05 -0.17 0.28 0.00 -0.94 0.00 0.00 52.86 51.98 1kma s ASN 25 Cb 0.16 0.52 1.11 0.00 -2.00 0.00 0.00 41.25 41.04 1kma s ASN 25 CO 0.61 -0.89 1.83 1.55 -2.94 0.00 0.00 177.10 177.25 1kma h PRO 26 N 2.00 0.00 -0.64 3.55 0.13 -1.86 -1.95 132.00 133.23 1kma h PRO 26 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1kma h PRO 26 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1kma h PRO 26 CO 0.31 0.00 0.08 0.00 -0.23 0.00 0.00 178.00 178.16 1kma h MET 28 N 1.00 1.00 0.45 0.00 2.86 -1.70 0.29 114.93 118.83 1kma h MET 28 Ca 0.19 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1kma h MET 28 Cb 0.47 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1kma h MET 28 CO 0.02 0.99 -0.24 1.25 1.06 0.00 0.00 176.91 179.99 1kma h LEU 29 N 0.88 -0.57 -1.84 1.22 6.46 -1.41 -1.59 115.31 118.47 1kma h LEU 29 Ca 0.16 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1kma h LEU 29 Cb 0.54 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 1kma h LEU 29 CO 0.03 -0.38 0.09 0.00 -0.62 0.00 0.00 178.44 177.56 1kma h THR 30 N -0.63 1.04 0.03 1.05 1.03 -0.79 0.12 112.91 114.76 1kma h THR 30 Ca -0.06 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1kma h THR 30 Cb 0.49 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 68.40 1kma h THR 30 CO 0.09 0.04 -0.05 0.00 -0.01 0.00 0.00 175.52 175.59 1kma h ALA 32 N -1.55 0.24 0.04 0.00 0.00 -0.50 0.45 119.26 117.95 1kma h ALA 32 Ca -0.00 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1kma h ALA 32 Cb 0.08 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1kma h ALA 32 CO -0.02 -0.57 -0.34 -0.22 0.00 0.00 0.00 179.25 178.10 1kma h LYS 33 N -0.03 -0.44 0.00 0.00 3.64 -0.57 0.24 116.57 119.42 1kma h LYS 33 Ca 0.35 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1kma h LYS 33 Cb 0.61 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1kma h LYS 33 CO -0.93 -0.29 -0.08 0.45 -2.27 0.00 0.00 179.45 176.33 1kma h HIS 34 N -0.46 0.00 0.24 1.91 3.86 -0.33 -1.34 115.15 119.03 1kma h HIS 34 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1kma h HIS 34 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1kma h HIS 34 CO -0.42 0.08 -0.12 1.49 0.86 0.00 0.00 177.93 179.82 1kma h GLU 35 N 0.00 -0.31 0.00 2.45 4.22 0.60 -3.46 114.58 118.08 1kma h GLU 35 Ca -0.00 0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 1kma h GLU 35 Cb 0.18 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1kma h GLU 35 CO 0.01 -0.21 -0.03 0.41 -2.18 0.00 0.00 179.01 177.01 1kma n GLY 36 N 0.69 0.96 2.60 1.92 0.00 0.71 -4.79 105.19 107.28 1kma n GLY 36 Ca -0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 3.32 0.20 1.61 2.85 -0.40 -4.94 115.26 117.90 1kma n ASN 37 Ca -0.01 -3.42 0.14 0.00 -0.11 0.00 0.00 54.58 51.18 1kma n ASN 37 Cb 0.52 -0.61 0.71 0.00 1.24 0.00 0.00 39.78 41.64 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 -1.85 -0.72 132.00 134.18 1kma h PRO 38 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1kma h PRO 38 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1kma h PRO 38 CO 0.74 0.00 -0.56 0.22 -0.23 0.00 0.00 178.00 178.17 1kma h ASP 39 N 0.00 0.00 -4.11 1.44 3.58 -1.92 -3.46 116.42 111.96 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 0.06 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.22 1kma h ASP 39 CO 0.00 0.30 0.45 -0.22 -2.88 0.00 0.00 179.24 176.89 1kma s LEU 40 N -6.13 3.65 0.12 2.28 2.96 -0.28 -4.90 118.68 116.38 1kma s LEU 40 Ca 0.03 2.31 -0.16 0.00 -0.22 0.00 0.00 54.13 56.09 1kma s LEU 40 Cb 0.07 -4.59 0.04 0.00 0.50 0.00 0.00 46.19 42.21 1kma s LEU 40 CO 0.74 -1.54 0.40 0.68 -1.32 0.00 0.00 176.35 175.31 1kma s VAL 41 N -1.71 0.07 -1.17 1.68 -7.23 -1.26 -4.96 120.40 105.82 1kma s VAL 41 Ca 0.75 -0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 1kma s VAL 41 Cb -0.28 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1kma s VAL 41 CO 0.33 -0.31 1.84 -1.58 -0.31 0.00 0.00 175.10 175.07 1kma s GLN 42 N -3.75 3.01 0.22 4.82 2.00 -1.26 -3.50 119.66 121.20 1kma s GLN 42 Ca 0.03 -1.30 -0.09 0.00 -2.00 0.00 0.00 55.36 52.00 1kma s GLN 42 Cb 0.02 -5.32 0.18 0.00 0.80 0.00 0.00 33.01 28.70 1kma s GLN 42 CO -0.12 -3.29 1.88 -0.39 -0.50 0.00 0.00 175.29 172.88 1kma h VAL 43 N 6.18 1.19 -2.24 1.34 -1.51 -1.89 -3.44 116.25 115.87 1kma h VAL 43 Ca 0.27 -0.36 -0.07 0.00 -1.23 0.00 0.00 66.70 65.31 1kma h VAL 43 Cb 0.93 0.04 -0.22 0.00 -2.13 0.00 0.00 31.29 29.91 1kma h VAL 43 CO 1.30 0.19 0.01 -2.28 -1.23 0.00 0.00 177.57 175.57 1kma s HIS 44 N -6.13 -0.68 -0.19 5.19 5.65 -1.23 -5.04 115.29 112.86 1kma s HIS 44 Ca -0.13 1.64 -0.00 0.00 0.25 0.00 0.00 55.06 56.82 1kma s HIS 44 Cb 0.16 0.24 0.15 0.00 -1.18 0.00 0.00 32.58 31.95 1kma s HIS 44 CO 0.79 -0.33 1.84 -0.85 -0.65 0.00 0.00 174.74 175.53 1kma n GLU 45 N 2.69 1.49 -3.95 2.88 0.28 -1.26 -2.23 120.64 120.53 1kma n GLU 45 Ca -0.14 -0.99 -0.08 0.00 -0.16 0.00 0.00 57.16 55.79 1kma n GLU 45 Cb 0.56 -1.39 -0.08 0.00 1.43 0.00 0.00 31.44 31.96 1kma n GLU 45 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1kma s GLY 46 N 0.70 0.24 0.44 -1.84 0.00 -1.26 -4.77 107.32 100.84 1kma s GLY 46 Ca 0.19 -0.86 -0.21 0.00 0.00 0.00 0.00 44.72 43.84 1kma s GLY 46 CO 0.01 -1.01 1.01 2.56 0.00 0.00 0.00 173.10 175.66 1kma s PRO 47 N -3.88 4.03 0.00 2.90 0.04 -1.22 -1.68 135.00 135.19 1kma s PRO 47 Ca 0.06 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1kma s PRO 47 Cb 0.06 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1kma s PRO 47 CO -0.11 -0.22 0.00 0.00 0.04 0.00 0.00 177.00 176.71 1kma s ASP 49 N -3.01 -0.16 -0.12 0.00 2.15 -1.26 -5.05 116.67 109.21 1kma s ASP 49 Ca 0.00 -0.06 -0.31 0.00 0.43 0.00 0.00 52.55 52.62 1kma s ASP 49 Cb 0.00 0.21 0.13 0.00 -0.30 0.00 0.00 42.92 42.96 1kma s ASP 49 CO 0.00 -0.36 1.03 -0.70 -0.17 0.00 0.00 175.17 174.97 1kma s GLU 50 N -2.60 0.57 -0.09 4.34 2.56 -1.26 -3.00 118.70 119.22 1kma s GLU 50 Ca 0.10 -0.07 0.25 0.00 0.00 0.00 0.00 54.97 55.25 1kma s GLU 50 Cb 0.00 0.26 0.46 0.00 2.00 0.00 0.00 34.13 36.85 1kma s GLU 50 CO -0.05 -0.22 1.15 1.58 -0.56 0.00 0.00 175.26 177.16 1kma n HIS 51 N 0.22 0.42 -3.82 5.30 -0.00 -1.26 -5.08 115.22 110.99 1kma n HIS 51 Ca -0.07 -1.05 0.00 0.00 0.46 0.00 0.00 57.72 57.07 1kma n HIS 51 Cb 0.59 -0.18 0.01 0.00 -0.12 0.00 0.00 29.99 30.29 1kma n HIS 51 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1kma n ASP 52 N 0.13 -0.76 -3.35 0.26 -0.08 -1.26 -5.10 116.55 106.39 1kma n ASP 52 Ca 0.06 -1.28 -0.25 0.00 -1.51 0.00 0.00 54.79 51.80 1kma n ASP 52 Cb 1.03 1.21 -0.09 0.00 2.34 0.00 0.00 41.12 45.61 1kma n ASP 52 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 1kma s HIS 53 N -3.13 0.88 1.03 -0.67 5.65 -1.26 -5.14 115.29 112.65 1kma s HIS 53 Ca 0.14 -2.18 -0.14 0.00 0.25 0.00 0.00 55.06 53.14 1kma s HIS 53 Cb -0.01 -0.82 0.12 0.00 -1.18 0.00 0.00 32.58 30.69 1kma s HIS 53 CO 0.01 -0.86 0.57 -0.25 -0.65 0.00 0.00 174.74 173.56 1kma n ASP 54 N 2.90 -1.59 0.00 9.88 9.92 -1.26 -5.33 116.55 131.07 1kma n ASP 54 Ca 0.28 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 1kma n ASP 54 Cb 0.48 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1kma n ASP 54 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55