#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 2.01 0.00 -1.08 -0.44 -1.26 -4.97 119.66 113.92 1kma s GLN 2 Ca 0.00 -1.28 0.00 0.00 -2.50 0.00 0.00 55.36 51.58 1kma s GLN 2 Cb 0.00 0.60 0.00 0.00 -1.64 0.00 0.00 33.01 31.97 1kma s GLN 2 CO 0.00 -0.92 0.00 0.41 0.50 0.00 0.00 175.29 175.28 1kma n GLY 3 N -0.50 2.12 0.23 2.59 0.00 -1.26 -4.46 105.19 103.91 1kma n GLY 3 Ca -0.06 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.67 -0.06 1.61 -0.00 -2.01 -0.10 115.58 115.70 1kma h ASN 4 Ca 0.00 -0.16 0.02 0.00 -0.00 0.00 0.00 56.30 56.16 1kma h ASN 4 Cb 0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 38.32 38.14 1kma h ASN 4 CO 0.00 0.64 0.14 1.55 -0.00 0.00 0.00 177.43 179.76 1kma h PRO 5 N 0.66 0.00 -1.28 6.67 0.13 -1.89 -3.31 132.00 132.98 1kma h PRO 5 Ca 0.17 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.71 1kma h PRO 5 Cb 0.17 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.89 1kma h PRO 5 CO -0.02 0.00 -0.65 0.00 -0.23 0.00 0.00 178.00 177.10 1kma h GLU 7 N 2.46 0.00 -7.23 0.00 4.11 -1.64 -3.47 114.58 108.80 1kma h GLU 7 Ca 0.34 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.24 1kma h GLU 7 Cb 1.08 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.50 1kma h GLU 7 CO 0.86 0.09 0.32 0.00 0.07 0.00 0.00 179.01 180.35 1kma s PRO 9 N -4.31 2.34 -0.10 0.00 0.04 -1.26 -4.92 135.00 126.79 1kma s PRO 9 Ca 0.70 0.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1kma s PRO 9 Cb -0.26 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1kma s PRO 9 CO 0.52 -1.43 2.50 0.54 0.04 0.00 0.00 177.00 179.17 1kma n ARG 10 N -3.29 1.54 -2.04 4.56 3.00 -1.26 -4.91 116.66 114.25 1kma n ARG 10 Ca 0.07 -0.76 -0.42 0.00 -0.01 0.00 0.00 57.85 56.73 1kma n ARG 10 Cb 0.57 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.52 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 -0.23 3.65 -0.22 7.54 0.00 -1.26 -4.94 121.76 126.31 1kma s ALA 11 Ca 0.29 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 1kma s ALA 11 Cb 0.16 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.77 1kma s ALA 11 CO -0.02 -0.71 2.43 1.28 0.00 0.00 0.00 175.76 178.74 1kma n LEU 12 N 3.09 6.00 -3.60 0.00 7.99 -1.25 -4.12 117.00 125.10 1kma n LEU 12 Ca 0.09 -3.22 -0.41 0.00 -0.01 0.00 0.00 56.01 52.47 1kma n LEU 12 Cb 0.40 -1.17 -0.00 0.00 -0.11 0.00 0.00 43.42 42.54 1kma n LEU 12 CO 0.60 1.35 2.41 1.41 -1.51 0.00 0.00 177.39 181.66 1kma n HIS 13 N 1.09 2.74 -1.75 -1.77 8.25 0.08 -4.92 115.22 118.93 1kma n HIS 13 Ca 0.28 -2.86 -0.38 0.00 -0.26 0.00 0.00 57.72 54.51 1kma n HIS 13 Cb 0.61 -2.00 0.05 0.00 1.12 0.00 0.00 29.99 29.76 1kma n HIS 13 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1kma s ARG 14 N 0.06 3.01 0.08 -0.41 0.52 -0.98 -3.97 118.95 117.26 1kma s ARG 14 Ca 0.51 2.23 -0.09 0.00 -0.52 0.00 0.00 55.73 57.86 1kma s ARG 14 Cb 0.15 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1kma s ARG 14 CO -0.06 -1.29 0.21 0.14 0.02 0.00 0.00 175.30 174.32 1kma s VAL 15 N -1.30 0.13 -0.02 3.52 -7.23 0.29 -3.42 120.40 112.36 1kma s VAL 15 Ca 0.74 -1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 59.68 1kma s VAL 15 Cb -0.41 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 1kma s VAL 15 CO 0.47 -0.58 0.48 0.00 -0.31 0.00 0.00 175.10 175.16 1kma s GLY 17 N -0.49 1.53 0.49 0.00 0.00 -0.09 -4.24 107.32 104.52 1kma s GLY 17 Ca 0.26 -1.17 0.31 0.00 0.00 0.00 0.00 44.72 44.12 1kma s GLY 17 CO 0.14 -1.05 1.76 1.48 0.00 0.00 0.00 173.10 175.43 1kma h SER 18 N 0.63 0.16 0.28 1.64 4.64 -1.85 0.22 113.55 119.27 1kma h SER 18 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1kma h SER 18 Cb 1.25 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1kma h SER 18 CO 0.57 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.00 1kma n ASP 19 N -4.36 0.00 0.00 4.97 8.00 -1.26 -4.80 116.55 119.10 1kma n ASP 19 Ca 0.28 0.26 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1kma n ASP 19 Cb 1.21 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kma n GLY 20 N -0.32 2.82 3.55 0.44 0.00 0.76 -4.98 105.19 107.46 1kma n GLY 20 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.89 4.80 0.44 1.61 2.47 -1.18 -4.31 114.94 114.87 1kma s ASN 21 Ca 0.00 0.29 -0.24 0.00 0.42 0.00 0.00 52.86 53.33 1kma s ASN 21 Cb 0.00 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.19 1kma s ASN 21 CO 0.00 -2.82 1.26 -0.89 -3.72 0.00 0.00 177.10 170.93 1kma s THR 22 N 11.02 2.73 0.05 -5.21 2.01 -1.26 -0.91 115.64 124.06 1kma s THR 22 Ca 0.80 0.61 0.08 0.00 0.31 0.00 0.00 61.69 63.48 1kma s THR 22 Cb -0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1kma s THR 22 CO 0.16 0.05 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.61 1kma s TYR 23 N -1.36 1.91 -0.05 4.92 2.02 0.75 -4.89 117.35 120.65 1kma s TYR 23 Ca 0.61 -0.38 0.28 0.00 -0.37 0.00 0.00 57.07 57.20 1kma s TYR 23 Cb -0.35 -1.14 1.42 0.00 -0.40 0.00 0.00 41.96 41.49 1kma s TYR 23 CO 0.44 0.11 1.84 0.77 -1.57 0.00 0.00 175.55 177.14 1kma h SER 24 N 4.80 0.00 -4.80 2.29 0.02 -1.89 0.84 113.55 114.81 1kma h SER 24 Ca -0.44 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.55 1kma h SER 24 Cb 1.16 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.55 1kma h SER 24 CO 0.43 0.00 0.34 0.54 -1.14 0.00 0.00 176.83 177.01 1kma s ASN 25 N -4.43 -0.48 0.31 3.07 2.20 -1.25 -0.74 114.94 113.61 1kma s ASN 25 Ca -0.01 0.09 0.26 0.00 -0.94 0.00 0.00 52.86 52.25 1kma s ASN 25 Cb 0.08 0.49 1.02 0.00 -2.00 0.00 0.00 41.25 40.84 1kma s ASN 25 CO 0.30 -0.76 1.77 1.55 -2.94 0.00 0.00 177.10 177.02 1kma h PRO 26 N 2.12 0.00 -0.19 3.55 0.13 -1.84 -2.96 132.00 132.81 1kma h PRO 26 Ca -0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.64 1kma h PRO 26 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1kma h PRO 26 CO 0.35 0.00 -0.70 0.00 -0.23 0.00 0.00 178.00 177.42 1kma h MET 28 N 0.56 0.59 0.35 0.00 1.85 -1.87 0.30 114.93 116.70 1kma h MET 28 Ca -0.03 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1kma h MET 28 Cb 1.32 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1kma h MET 28 CO 0.15 0.49 -0.33 1.25 -0.40 0.00 0.00 176.91 178.06 1kma h LEU 29 N 0.54 -0.90 -1.47 3.39 6.46 -1.49 0.20 115.31 122.03 1kma h LEU 29 Ca 0.15 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1kma h LEU 29 Cb 0.08 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1kma h LEU 29 CO -0.02 -0.44 0.22 0.00 -0.62 0.00 0.00 178.44 177.57 1kma h THR 30 N -0.67 1.14 0.00 1.05 1.03 -0.82 0.23 112.91 114.87 1kma h THR 30 Ca -0.04 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1kma h THR 30 Cb 0.58 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 1kma h THR 30 CO -0.03 0.15 -0.05 0.00 -0.01 0.00 0.00 175.52 175.58 1kma h ALA 32 N -1.41 0.34 -0.07 0.00 0.00 -0.15 0.41 119.26 118.38 1kma h ALA 32 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1kma h ALA 32 Cb 0.07 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1kma h ALA 32 CO -0.03 -0.54 -0.46 -0.22 0.00 0.00 0.00 179.25 178.00 1kma h LYS 33 N -0.00 -0.51 0.00 0.00 3.64 -0.30 0.27 116.57 119.67 1kma h LYS 33 Ca 0.39 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1kma h LYS 33 Cb 0.64 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1kma h LYS 33 CO -1.00 -0.34 -0.16 0.45 -2.27 0.00 0.00 179.45 176.13 1kma h HIS 34 N -0.53 0.00 0.04 1.91 3.86 -0.34 -1.26 115.15 118.84 1kma h HIS 34 Ca 0.02 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1kma h HIS 34 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 1kma h HIS 34 CO -0.53 0.16 -0.42 1.49 0.86 0.00 0.00 177.93 179.48 1kma h GLU 35 N 0.00 0.22 0.00 2.45 4.22 0.81 -3.45 114.58 118.83 1kma h GLU 35 Ca -0.00 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1kma h GLU 35 Cb 0.46 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1kma h GLU 35 CO 0.02 1.05 0.00 0.41 -2.18 0.00 0.00 179.01 178.31 1kma n GLY 36 N 1.32 0.67 2.34 1.92 0.00 0.86 -4.76 105.19 107.55 1kma n GLY 36 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 1.66 0.33 1.61 2.85 -0.48 -4.95 115.26 116.27 1kma n ASN 37 Ca 0.00 -3.07 0.22 0.00 -0.11 0.00 0.00 54.58 51.62 1kma n ASN 37 Cb 0.34 -0.63 1.14 0.00 1.24 0.00 0.00 39.78 41.87 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 3.57 0.00 0.00 1.20 0.13 -1.85 -0.55 132.00 134.51 1kma h PRO 38 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1kma h PRO 38 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1kma h PRO 38 CO 0.59 0.00 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.73 1kma h ASP 39 N 0.00 0.00 -4.14 1.44 5.19 -1.92 -3.45 116.42 113.54 1kma h ASP 39 Ca -0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1kma h ASP 39 Cb 0.08 0.00 0.11 0.00 0.18 0.00 0.00 39.33 39.70 1kma h ASP 39 CO 0.00 0.20 0.42 -0.22 -3.12 0.00 0.00 179.24 176.52 1kma s LEU 40 N -6.35 3.53 0.06 1.55 2.96 -0.21 -4.97 118.68 115.25 1kma s LEU 40 Ca 0.05 2.25 -0.15 0.00 -0.22 0.00 0.00 54.13 56.06 1kma s LEU 40 Cb 0.07 -4.58 0.03 0.00 0.50 0.00 0.00 46.19 42.20 1kma s LEU 40 CO 0.69 -1.69 0.35 0.68 -1.32 0.00 0.00 176.35 175.06 1kma s VAL 41 N -1.89 0.07 -1.11 1.68 -7.23 -1.26 -4.96 120.40 105.70 1kma s VAL 41 Ca 0.73 -0.61 -0.22 0.00 -1.81 0.00 0.00 61.98 60.07 1kma s VAL 41 Cb -0.27 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.65 1kma s VAL 41 CO 0.37 -0.34 1.81 -1.58 -0.31 0.00 0.00 175.10 175.05 1kma s GLN 42 N -2.81 3.03 0.15 4.82 2.00 -1.26 -3.89 119.66 121.70 1kma s GLN 42 Ca -0.03 -1.13 -0.19 0.00 -2.00 0.00 0.00 55.36 52.01 1kma s GLN 42 Cb -0.00 -5.28 0.03 0.00 0.80 0.00 0.00 33.01 28.56 1kma s GLN 42 CO -0.05 -3.15 1.68 -0.39 -0.50 0.00 0.00 175.29 172.89 1kma h VAL 43 N 6.42 0.67 -2.46 1.34 -1.51 -1.92 -3.46 116.25 115.33 1kma h VAL 43 Ca 0.24 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.69 1kma h VAL 43 Cb 0.95 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 1kma h VAL 43 CO 1.31 0.00 0.11 0.00 -1.23 0.00 0.00 177.57 177.76 1kma n HIS 44 N -5.26 -1.56 0.00 5.19 -0.00 -1.26 -5.08 115.22 107.24 1kma n HIS 44 Ca -0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.72 56.89 1kma n HIS 44 Cb 0.18 0.40 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 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 -0.23 2.64 -2.01 -1.40 2.13 -1.26 -4.30 120.64 116.21 1kma n GLU 45 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1kma n GLU 45 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kma n GLY 46 N 2.84 -3.35 3.70 8.31 0.00 -1.24 -1.19 105.19 114.25 1kma n GLY 46 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.34 4.32 0.30 1.61 0.04 -1.22 -1.71 135.00 138.01 1kma s PRO 47 Ca 0.00 1.97 0.14 0.00 0.04 0.00 0.00 61.00 63.14 1kma s PRO 47 Cb 0.00 -3.42 0.42 0.00 0.04 0.00 0.00 34.50 31.54 1kma s PRO 47 CO 0.00 -0.47 1.63 0.00 0.04 0.00 0.00 177.00 178.19 1kma n ASP 49 N -3.63 0.00 -3.81 0.00 2.03 -1.26 -5.04 116.55 104.84 1kma n ASP 49 Ca -0.01 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.58 1kma n ASP 49 Cb 0.60 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.99 1kma n ASP 49 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1kma s GLU 50 N -0.67 1.57 -0.70 -0.67 0.41 -1.26 -5.11 118.70 112.27 1kma s GLU 50 Ca 0.00 -0.87 0.05 0.00 -0.41 0.00 0.00 54.97 53.74 1kma s GLU 50 Cb 0.00 0.53 0.18 0.00 -1.78 0.00 0.00 34.13 33.06 1kma s GLU 50 CO 0.00 -0.72 0.53 -2.39 -0.49 0.00 0.00 175.26 172.19 1kma n HIS 51 N -0.47 3.28 -0.63 1.61 1.44 -1.26 -4.72 115.22 114.47 1kma n HIS 51 Ca -0.05 -4.28 -0.30 0.00 -2.01 0.00 0.00 57.72 51.08 1kma n HIS 51 Cb 0.60 -0.61 0.21 0.00 0.12 0.00 0.00 29.99 30.31 1kma n HIS 51 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1kma s ASP 52 N -1.61 1.92 -0.29 4.39 -4.77 -1.26 -5.02 116.67 110.03 1kma s ASP 52 Ca 0.27 1.84 0.19 0.00 -3.30 0.00 0.00 52.55 51.56 1kma s ASP 52 Cb -0.01 -2.43 0.47 0.00 -1.09 0.00 0.00 42.92 39.86 1kma s ASP 52 CO -0.15 -3.67 1.22 1.57 0.70 0.00 0.00 175.17 174.84 1kma n HIS 53 N -4.58 0.22 -0.11 2.11 -0.00 -1.26 -4.97 115.22 106.62 1kma n HIS 53 Ca 0.07 -2.09 -0.10 0.00 0.46 0.00 0.00 57.72 56.06 1kma n HIS 53 Cb 0.53 0.30 -0.02 0.00 -0.12 0.00 0.00 29.99 30.68 1kma n HIS 53 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1kma h ASP 54 N 2.21 0.45 -0.02 0.26 3.58 -2.02 -3.57 116.42 117.31 1kma h ASP 54 Ca -0.22 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1kma h ASP 54 Cb 1.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1kma h ASP 54 CO 0.11 0.48 0.00 0.49 -2.88 0.00 0.00 179.24 177.44