#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 0.13 3.97 0.00 -1.26 -4.97 117.38 115.25 1kma n GLN 2 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.00 57.13 1kma n GLN 2 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 30.24 30.57 1kma n GLN 2 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1kma h GLY 3 N 0.00 0.00 0.96 1.69 0.00 -2.02 -1.62 103.07 102.09 1kma h GLY 3 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1kma h GLY 3 CO 0.00 0.00 0.17 -0.57 0.00 0.00 0.00 176.54 176.14 1kma h ASN 4 N 0.00 0.67 0.08 0.19 -0.00 -2.01 -2.76 115.58 111.75 1kma h ASN 4 Ca 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 56.30 56.11 1kma h ASN 4 Cb 0.81 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 1kma h ASN 4 CO 0.00 0.67 -0.04 1.55 -0.00 0.00 0.00 177.43 179.61 1kma h PRO 5 N 0.62 -0.10 -3.51 6.67 0.13 -1.87 -3.41 132.00 130.54 1kma h PRO 5 Ca 0.15 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 64.54 1kma h PRO 5 Cb 0.23 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.23 1kma h PRO 5 CO -0.01 0.31 2.02 0.00 -0.23 0.00 0.00 178.00 180.09 1kma n GLU 7 N 3.87 0.23 -1.91 0.00 0.28 -1.06 -4.61 120.64 117.45 1kma n GLU 7 Ca 0.40 0.13 -0.30 0.00 -0.16 0.00 0.00 57.16 57.23 1kma n GLU 7 Cb 0.36 -1.71 0.03 0.00 1.43 0.00 0.00 31.44 31.55 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 -5.25 2.23 -0.18 0.00 0.04 -1.26 -4.93 135.00 125.65 1kma s PRO 9 Ca 0.56 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1kma s PRO 9 Cb -0.11 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1kma s PRO 9 CO 0.52 -1.49 2.45 0.54 0.04 0.00 0.00 177.00 179.06 1kma n ARG 10 N -3.32 1.68 -1.99 4.56 3.00 -1.26 -4.91 116.66 114.42 1kma n ARG 10 Ca 0.07 -1.08 -0.42 0.00 -0.01 0.00 0.00 57.85 56.41 1kma n ARG 10 Cb 0.57 -1.58 -0.03 0.00 0.00 0.00 0.00 32.46 31.42 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 -0.67 3.64 0.00 7.54 0.00 -1.26 -4.92 121.76 126.09 1kma s ALA 11 Ca 0.33 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1kma s ALA 11 Cb 0.20 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1kma s ALA 11 CO -0.04 -1.23 2.24 1.28 0.00 0.00 0.00 175.76 178.01 1kma n LEU 12 N 6.35 4.48 -3.33 0.00 7.99 -1.26 -4.35 117.00 126.89 1kma n LEU 12 Ca 0.16 -2.31 -0.38 0.00 -0.01 0.00 0.00 56.01 53.47 1kma n LEU 12 Cb 0.42 -1.05 -0.01 0.00 -0.11 0.00 0.00 43.42 42.68 1kma n LEU 12 CO 0.62 1.04 2.07 1.41 -1.51 0.00 0.00 177.39 181.03 1kma n HIS 13 N 1.95 2.48 -1.60 -1.77 8.25 -0.94 -4.98 115.22 118.62 1kma n HIS 13 Ca 0.14 -2.62 -0.39 0.00 -0.26 0.00 0.00 57.72 54.59 1kma n HIS 13 Cb 0.56 -1.63 0.04 0.00 1.12 0.00 0.00 29.99 30.07 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 1.19 1.04 -3.77 -0.41 1.74 -0.83 -3.98 116.66 111.64 1kma n ARG 14 Ca 0.57 0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 57.93 1kma n ARG 14 Cb 0.30 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.58 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 -1.45 0.08 0.01 1.55 -7.23 0.26 -2.90 120.40 110.72 1kma s VAL 15 Ca 0.70 -0.68 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 1kma s VAL 15 Cb -0.47 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1kma s VAL 15 CO 0.52 -0.37 0.70 0.00 -0.31 0.00 0.00 175.10 175.63 1kma s GLY 17 N 0.05 1.54 0.60 0.00 0.00 0.44 -4.23 107.32 105.72 1kma s GLY 17 Ca 0.36 -1.20 0.28 0.00 0.00 0.00 0.00 44.72 44.16 1kma s GLY 17 CO 0.20 -1.08 1.84 1.48 0.00 0.00 0.00 173.10 175.54 1kma h SER 18 N 0.65 0.00 0.00 1.64 4.64 -1.84 0.74 113.55 119.38 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 0.56 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.99 1kma n ASP 19 N -3.57 0.00 0.00 4.97 8.00 -1.26 -4.79 116.55 119.90 1kma n ASP 19 Ca 0.08 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1kma n ASP 19 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 0.26 2.71 3.55 0.44 0.00 0.22 -4.98 105.19 107.40 1kma n GLY 20 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.86 4.92 0.44 1.61 3.04 -0.99 -3.64 114.94 116.47 1kma s ASN 21 Ca 0.00 0.27 -0.24 0.00 0.04 0.00 0.00 52.86 52.92 1kma s ASN 21 Cb 0.00 -2.53 -0.08 0.00 -1.54 0.00 0.00 41.25 37.10 1kma s ASN 21 CO 0.00 -2.72 1.27 -0.89 -3.04 0.00 0.00 177.10 171.72 1kma s THR 22 N 10.55 2.68 0.15 -5.21 2.01 -1.16 -0.42 115.64 124.24 1kma s THR 22 Ca 0.77 0.56 0.09 0.00 0.31 0.00 0.00 61.69 63.42 1kma s THR 22 Cb -0.12 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1kma s THR 22 CO 0.16 0.04 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.62 1kma s TYR 23 N -1.35 1.93 0.35 4.92 1.51 0.12 -4.87 117.35 119.96 1kma s TYR 23 Ca 0.61 -0.43 0.35 0.00 -1.01 0.00 0.00 57.07 56.59 1kma s TYR 23 Cb -0.36 -0.99 1.67 0.00 -0.11 0.00 0.00 41.96 42.17 1kma s TYR 23 CO 0.44 0.33 2.11 0.77 -1.11 0.00 0.00 175.55 178.09 1kma h SER 24 N 3.50 0.00 -4.81 2.29 0.02 -1.90 0.76 113.55 113.41 1kma h SER 24 Ca -0.45 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.55 1kma h SER 24 Cb 1.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 1kma h SER 24 CO 0.47 0.05 0.36 0.54 -1.14 0.00 0.00 176.83 177.10 1kma s ASN 25 N -5.70 -0.46 0.59 3.07 2.20 -1.26 -1.96 114.94 111.42 1kma s ASN 25 Ca -0.02 0.00 0.37 0.00 -0.94 0.00 0.00 52.86 52.28 1kma s ASN 25 Cb 0.11 0.49 1.73 0.00 -2.00 0.00 0.00 41.25 41.58 1kma s ASN 25 CO 0.52 -0.79 2.12 1.55 -2.94 0.00 0.00 177.10 177.56 1kma h PRO 26 N 2.00 0.00 -0.20 3.55 0.13 -1.86 -1.92 132.00 133.70 1kma h PRO 26 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1kma h PRO 26 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1kma h PRO 26 CO 0.34 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 177.99 1kma h MET 28 N 0.12 0.92 0.22 0.00 2.86 -1.74 0.33 114.93 117.65 1kma h MET 28 Ca 0.04 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1kma h MET 28 Cb 0.64 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1kma h MET 28 CO 0.04 0.76 -0.17 1.25 1.06 0.00 0.00 176.91 179.85 1kma h LEU 29 N 0.91 -0.43 -1.78 1.22 6.46 -1.43 -0.44 115.31 119.82 1kma h LEU 29 Ca 0.21 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1kma h LEU 29 Cb 0.19 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1kma h LEU 29 CO -0.02 -0.24 0.14 0.00 -0.62 0.00 0.00 178.44 177.70 1kma h THR 30 N -0.37 1.06 0.07 1.05 1.03 -0.66 0.26 112.91 115.35 1kma h THR 30 Ca -0.03 -0.12 -0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1kma h THR 30 Cb 0.31 0.74 -0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1kma h THR 30 CO 0.01 0.06 -0.08 0.00 -0.01 0.00 0.00 175.52 175.50 1kma n ALA 32 N -2.35 -0.01 -0.02 0.00 0.00 -0.18 0.42 120.51 118.37 1kma n ALA 32 Ca -0.02 0.98 -0.12 0.00 0.00 0.00 0.00 53.44 54.28 1kma n ALA 32 Cb 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1kma n ALA 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kma h LYS 33 N 0.00 -0.45 0.00 0.00 3.64 -0.35 0.26 116.57 119.67 1kma h LYS 33 Ca 0.37 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 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 -0.96 -0.30 -0.05 0.45 -2.27 0.00 0.00 179.45 176.33 1kma h HIS 34 N -0.46 0.00 0.01 1.91 3.86 -0.19 -1.45 115.15 118.83 1kma h HIS 34 Ca 0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1kma h HIS 34 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1kma h HIS 34 CO -0.58 0.05 -0.13 1.49 0.86 0.00 0.00 177.93 179.61 1kma h GLU 35 N 0.00 0.07 0.00 2.45 4.22 0.14 -3.46 114.58 118.00 1kma h GLU 35 Ca -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1kma h GLU 35 Cb 0.43 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1kma h GLU 35 CO 0.01 0.92 -0.07 0.41 -2.18 0.00 0.00 179.01 178.10 1kma n GLY 36 N 1.26 0.19 2.46 1.92 0.00 0.78 -4.78 105.19 107.02 1kma n GLY 36 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 2.35 0.33 1.61 2.85 -0.55 -4.95 115.26 116.90 1kma n ASN 37 Ca -0.07 -3.24 0.22 0.00 -0.11 0.00 0.00 54.58 51.39 1kma n ASN 37 Cb 0.35 -0.61 1.16 0.00 1.24 0.00 0.00 39.78 41.92 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 3.39 0.00 0.00 1.20 0.13 -1.85 -0.63 132.00 134.23 1kma h PRO 38 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1kma h PRO 38 Cb 0.75 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1kma h PRO 38 CO 0.65 0.00 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.62 1kma h ASP 39 N 0.00 0.00 -4.19 1.44 5.19 -1.92 -3.46 116.42 113.48 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 0.07 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.70 1kma h ASP 39 CO 0.00 0.36 0.38 -0.22 -3.12 0.00 0.00 179.24 176.64 1kma s LEU 40 N -6.47 3.35 -0.01 1.55 2.96 -0.24 -5.01 118.68 114.81 1kma s LEU 40 Ca 0.04 2.16 -0.16 0.00 -0.22 0.00 0.00 54.13 55.94 1kma s LEU 40 Cb 0.08 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.23 1kma s LEU 40 CO 0.71 -1.92 0.35 0.68 -1.32 0.00 0.00 176.35 174.85 1kma s VAL 41 N -2.19 0.05 -1.07 1.68 -7.23 -1.26 -4.97 120.40 105.41 1kma s VAL 41 Ca 0.70 -0.45 -0.23 0.00 -1.81 0.00 0.00 61.98 60.19 1kma s VAL 41 Cb -0.24 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1kma s VAL 41 CO 0.43 -0.25 1.87 -1.58 -0.31 0.00 0.00 175.10 175.27 1kma s GLN 42 N -1.47 2.77 0.12 4.82 2.00 -1.26 -3.96 119.66 122.68 1kma s GLN 42 Ca -0.12 -0.91 -0.25 0.00 -2.00 0.00 0.00 55.36 52.08 1kma s GLN 42 Cb -0.04 -5.22 -0.06 0.00 0.80 0.00 0.00 33.01 28.49 1kma s GLN 42 CO 0.04 -3.41 1.66 -0.39 -0.50 0.00 0.00 175.29 172.68 1kma h VAL 43 N 6.59 0.53 -2.28 1.34 -1.51 -1.93 -3.48 116.25 115.50 1kma h VAL 43 Ca 0.19 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.88 1kma h VAL 43 Cb 0.96 0.53 -0.06 0.00 -2.13 0.00 0.00 31.29 30.59 1kma h VAL 43 CO 1.26 0.00 0.64 -1.38 -1.23 0.00 0.00 177.57 176.86 1kma s HIS 44 N -6.10 0.00 0.71 5.19 0.00 -1.26 -5.09 115.29 108.73 1kma s HIS 44 Ca -0.15 -0.30 -0.05 0.00 -3.00 0.00 0.00 55.06 51.55 1kma s HIS 44 Cb 0.09 0.65 0.08 0.00 -4.00 0.00 0.00 32.58 29.39 1kma s HIS 44 CO 0.66 -0.73 1.00 -2.00 -1.00 0.00 0.00 174.74 172.67 1kma s GLU 45 N -2.45 2.03 0.10 -0.38 -6.30 -1.26 -4.34 118.70 106.10 1kma s GLU 45 Ca 0.19 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.17 1kma s GLU 45 Cb -0.01 -2.22 0.00 0.00 0.00 0.00 0.00 34.13 31.90 1kma s GLU 45 CO 0.03 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.42 1kma n GLY 46 N -2.89 -3.35 3.77 -1.50 0.00 -1.25 -4.69 105.19 95.27 1kma n GLY 46 Ca 0.10 -1.05 -0.39 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 -5.27 4.57 0.00 1.61 0.04 -1.14 -0.49 135.00 134.31 1kma s PRO 47 Ca 0.00 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1kma s PRO 47 Cb 0.00 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1kma s PRO 47 CO 0.00 0.22 0.00 0.00 0.04 0.00 0.00 177.00 177.26 1kma s ASP 49 N -1.55 -0.12 0.00 0.00 2.15 -1.24 -5.07 116.67 110.83 1kma s ASP 49 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1kma s ASP 49 Cb 0.00 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1kma s ASP 49 CO 0.00 -0.36 0.00 1.21 -0.17 0.00 0.00 175.17 175.85 1kma n GLU 50 N -0.32 0.00 -3.31 4.34 2.13 -1.26 -2.99 120.64 119.23 1kma n GLU 50 Ca -0.05 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.55 1kma n GLU 50 Cb 0.61 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.23 1kma n GLU 50 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1kma s HIS 51 N 0.00 0.37 0.52 4.31 -3.43 -1.26 -5.11 115.29 110.70 1kma s HIS 51 Ca 0.00 -1.67 -0.22 0.00 -0.80 0.00 0.00 55.06 52.38 1kma s HIS 51 Cb 0.00 -0.64 -0.07 0.00 -1.43 0.00 0.00 32.58 30.44 1kma s HIS 51 CO 0.00 -0.92 1.13 -0.40 -2.00 0.00 0.00 174.74 172.55 1kma n ASP 52 N 3.35 1.68 -2.71 7.38 5.75 -1.26 -4.97 116.55 125.77 1kma n ASP 52 Ca 0.21 0.95 -0.07 0.00 -0.01 0.00 0.00 54.79 55.87 1kma n ASP 52 Cb 0.46 -1.45 0.10 0.00 -1.03 0.00 0.00 41.12 39.20 1kma n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kma n HIS 53 N -1.05 -2.39 -1.98 2.11 1.44 -1.26 -5.15 115.22 106.93 1kma n HIS 53 Ca 0.11 -1.86 -0.28 0.00 -2.01 0.00 0.00 57.72 53.67 1kma n HIS 53 Cb 0.44 1.58 0.10 0.00 0.12 0.00 0.00 29.99 32.23 1kma n HIS 53 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1kma s ASP 54 N -1.12 4.31 0.00 4.39 -4.77 -1.26 -5.22 116.67 113.00 1kma s ASP 54 Ca 0.21 0.59 0.25 0.00 -3.30 0.00 0.00 52.55 50.30 1kma s ASP 54 Cb 0.34 -1.03 0.47 0.00 -1.09 0.00 0.00 42.92 41.61 1kma s ASP 54 CO -0.08 -2.00 1.42 0.49 0.70 0.00 0.00 175.17 175.70