#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 -1.31 -1.08 7.27 -1.26 -5.02 117.38 115.98 1kma n GLN 2 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1kma n GLN 2 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1kma n GLY 3 N -0.59 4.11 2.12 1.69 0.00 -1.26 -1.34 105.19 109.91 1kma n GLY 3 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1kma n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kma n ASN 4 N 4.18 -2.10 0.03 1.61 5.03 -1.26 -4.91 115.26 117.84 1kma n ASN 4 Ca 0.70 0.46 -0.12 0.00 0.87 0.00 0.00 54.58 56.49 1kma n ASN 4 Cb 0.25 2.18 -0.07 0.00 -1.02 0.00 0.00 39.78 41.12 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1kma h PRO 5 N 0.00 0.00 -4.74 3.52 0.13 -1.85 -3.36 132.00 125.71 1kma h PRO 5 Ca 0.00 -0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1kma h PRO 5 Cb 0.00 -0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 1kma h PRO 5 CO 0.00 0.05 0.84 0.00 -0.23 0.00 0.00 178.00 178.66 1kma n GLU 7 N 5.81 1.22 -4.19 0.00 2.13 -1.26 -4.49 120.64 119.87 1kma n GLU 7 Ca 0.26 -3.19 -0.11 0.00 0.66 0.00 0.00 57.16 54.77 1kma n GLU 7 Cb 0.47 -1.21 -0.10 0.00 0.27 0.00 0.00 31.44 30.87 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 -3.99 2.31 -0.19 0.00 0.04 -1.26 -4.97 135.00 126.95 1kma s PRO 9 Ca 0.24 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.26 1kma s PRO 9 Cb 0.07 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1kma s PRO 9 CO 0.03 -1.26 2.53 0.54 0.04 0.00 0.00 177.00 178.88 1kma n ARG 10 N -3.03 1.76 -1.91 4.56 1.74 -1.26 -4.95 116.66 113.58 1kma n ARG 10 Ca 0.07 -1.19 -0.41 0.00 -0.77 0.00 0.00 57.85 55.55 1kma n ARG 10 Cb 0.60 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.69 3.68 -0.22 7.54 0.00 -1.26 -4.94 121.76 125.87 1kma s ALA 11 Ca 0.37 1.43 -0.02 0.00 0.00 0.00 0.00 51.96 53.74 1kma s ALA 11 Cb 0.23 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.81 1kma s ALA 11 CO -0.05 -0.84 2.40 1.28 0.00 0.00 0.00 175.76 178.54 1kma n LEU 12 N 2.29 6.02 -4.58 0.00 7.99 -1.26 -4.14 117.00 123.32 1kma n LEU 12 Ca 0.07 -3.21 -0.40 0.00 -0.01 0.00 0.00 56.01 52.46 1kma n LEU 12 Cb 0.39 -1.16 -0.01 0.00 -0.11 0.00 0.00 43.42 42.52 1kma n LEU 12 CO 0.62 1.34 1.81 -1.00 -1.51 0.00 0.00 177.39 178.65 1kma s HIS 13 N -0.94 2.60 0.02 -1.77 3.76 -0.52 -4.96 115.29 113.49 1kma s HIS 13 Ca 0.34 -1.16 -0.30 0.00 -0.15 0.00 0.00 55.06 53.79 1kma s HIS 13 Cb 0.22 -4.63 -0.08 0.00 1.11 0.00 0.00 32.58 29.19 1kma s HIS 13 CO -0.04 -1.76 1.91 1.03 -0.85 0.00 0.00 174.74 175.03 1kma s ARG 14 N 4.73 4.15 0.05 1.40 0.52 -1.23 -2.35 118.95 126.22 1kma s ARG 14 Ca 0.55 2.54 0.00 0.00 -0.52 0.00 0.00 55.73 58.30 1kma s ARG 14 Cb 0.02 -4.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 1kma s ARG 14 CO 0.05 -0.93 -0.05 0.14 0.02 0.00 0.00 175.30 174.53 1kma s VAL 15 N 4.37 0.35 -0.11 3.52 -7.23 -0.29 -2.59 120.40 118.42 1kma s VAL 15 Ca 0.86 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1kma s VAL 15 Cb -0.41 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 1kma s VAL 15 CO 0.39 -0.72 -0.01 0.00 -0.31 0.00 0.00 175.10 174.46 1kma s GLY 17 N -0.48 1.52 0.25 0.00 0.00 -0.11 -3.68 107.32 104.83 1kma s GLY 17 Ca 0.08 -1.15 0.12 0.00 0.00 0.00 0.00 44.72 43.77 1kma s GLY 17 CO 0.02 -1.03 1.12 -1.14 0.00 0.00 0.00 173.10 172.07 1kma n SER 18 N -1.89 0.17 0.00 1.64 3.41 -1.19 -1.23 113.62 114.53 1kma n SER 18 Ca -0.00 1.19 0.07 0.00 -0.26 0.00 0.00 58.87 59.87 1kma n SER 18 Cb 0.58 -0.54 0.43 0.00 -0.26 0.00 0.00 64.21 64.41 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 -4.69 0.00 0.00 4.04 9.92 -1.26 -4.79 116.55 119.77 1kma n ASP 19 Ca 0.25 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1kma n ASP 19 Cb 0.83 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.31 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 -0.09 1.51 3.58 0.44 0.00 -0.36 -4.98 105.19 105.29 1kma n GLY 20 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.14 6.20 0.44 1.61 3.84 -1.14 -4.47 114.94 118.28 1kma s ASN 21 Ca 0.00 0.37 -0.24 0.00 0.21 0.00 0.00 52.86 53.19 1kma s ASN 21 Cb 0.00 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 38.08 1kma s ASN 21 CO 0.00 -1.63 1.27 -0.89 -2.79 0.00 0.00 177.10 173.05 1kma s THR 22 N 5.83 2.69 0.13 -5.21 2.01 -1.26 -0.94 115.64 118.89 1kma s THR 22 Ca 0.53 0.57 0.09 0.00 0.31 0.00 0.00 61.69 63.19 1kma s THR 22 Cb -0.11 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1kma s THR 22 CO 0.26 0.05 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.72 1kma s TYR 23 N -1.35 1.88 0.37 4.92 1.51 0.15 -4.92 117.35 119.91 1kma s TYR 23 Ca 0.61 -0.43 0.31 0.00 -1.01 0.00 0.00 57.07 56.55 1kma s TYR 23 Cb -0.36 -0.99 1.53 0.00 -0.11 0.00 0.00 41.96 42.04 1kma s TYR 23 CO 0.44 0.28 2.08 0.77 -1.11 0.00 0.00 175.55 178.01 1kma h SER 24 N 3.72 0.00 -4.74 2.29 0.02 -1.85 -0.75 113.55 112.25 1kma h SER 24 Ca -0.45 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1kma h SER 24 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.57 1kma h SER 24 CO 0.44 0.09 0.36 0.54 -1.14 0.00 0.00 176.83 177.12 1kma s ASN 25 N -5.94 -0.48 0.50 3.07 2.20 -0.99 -1.43 114.94 111.86 1kma s ASN 25 Ca -0.02 0.20 0.33 0.00 -0.94 0.00 0.00 52.86 52.43 1kma s ASN 25 Cb 0.12 0.47 1.42 0.00 -2.00 0.00 0.00 41.25 41.26 1kma s ASN 25 CO 0.56 -0.68 1.97 1.55 -2.94 0.00 0.00 177.10 177.55 1kma h PRO 26 N 2.28 0.00 -0.45 3.55 0.13 -1.87 -1.80 132.00 133.84 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 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1kma h PRO 26 CO 0.35 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.09 1kma h MET 28 N 0.65 1.06 0.36 0.00 2.86 -1.70 0.33 114.93 118.50 1kma h MET 28 Ca 0.12 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1kma h MET 28 Cb 0.53 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1kma h MET 28 CO 0.03 0.79 -0.26 1.25 1.06 0.00 0.00 176.91 179.78 1kma h LEU 29 N 1.05 -0.67 -1.86 1.22 6.46 -1.40 -1.73 115.31 118.38 1kma h LEU 29 Ca 0.27 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1kma h LEU 29 Cb 0.04 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1kma h LEU 29 CO -0.04 -0.37 -0.07 0.00 -0.62 0.00 0.00 178.44 177.34 1kma h THR 30 N -0.59 1.05 0.02 1.05 1.03 -0.78 0.13 112.91 114.82 1kma h THR 30 Ca -0.05 -0.24 -0.00 0.00 -0.01 0.00 0.00 66.41 66.11 1kma h THR 30 Cb 0.48 1.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1kma h THR 30 CO 0.02 0.07 -0.02 0.00 -0.01 0.00 0.00 175.52 175.58 1kma h ALA 32 N -1.73 0.29 -0.14 0.00 0.00 -0.58 0.43 119.26 117.53 1kma h ALA 32 Ca -0.00 0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1kma h ALA 32 Cb 0.03 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1kma h ALA 32 CO -0.00 -0.56 -0.41 -0.22 0.00 0.00 0.00 179.25 178.06 1kma h LYS 33 N -0.00 -0.40 0.00 0.00 3.64 -0.60 0.26 116.57 119.46 1kma h LYS 33 Ca 0.38 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1kma h LYS 33 Cb 0.63 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1kma h LYS 33 CO -0.99 -0.27 0.00 0.45 -2.27 0.00 0.00 179.45 176.37 1kma h HIS 34 N -0.41 0.00 0.00 1.91 3.86 -0.01 -1.39 115.15 119.10 1kma h HIS 34 Ca 0.03 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1kma h HIS 34 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1kma h HIS 34 CO -0.58 0.00 -0.00 1.49 0.86 0.00 0.00 177.93 179.70 1kma h GLU 35 N 0.00 -0.00 0.00 2.45 4.22 1.00 -3.46 114.58 118.79 1kma h GLU 35 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1kma h GLU 35 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1kma h GLU 35 CO 0.00 0.86 -0.05 0.41 -2.18 0.00 0.00 179.01 178.06 1kma n GLY 36 N 1.63 0.53 2.55 1.92 0.00 0.79 -4.76 105.19 107.84 1kma n GLY 36 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 2.65 0.26 1.61 2.85 -0.47 -4.95 115.26 117.21 1kma n ASN 37 Ca -0.05 -3.33 0.17 0.00 -0.11 0.00 0.00 54.58 51.26 1kma n ASN 37 Cb 0.38 -0.60 0.90 0.00 1.24 0.00 0.00 39.78 41.70 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 3.13 0.00 -0.02 1.20 0.13 -1.84 -0.64 132.00 133.96 1kma h PRO 38 Ca 0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1kma h PRO 38 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 1kma h PRO 38 CO 0.67 0.00 -0.45 -0.44 -0.23 0.00 0.00 178.00 177.54 1kma h ASP 39 N 0.00 0.05 -4.20 1.44 5.19 -1.92 -3.45 116.42 113.52 1kma h ASP 39 Ca 0.04 -0.02 -0.52 0.00 -0.62 0.00 0.00 57.03 55.91 1kma h ASP 39 Cb 0.28 -0.01 0.13 0.00 0.18 0.00 0.00 39.33 39.91 1kma h ASP 39 CO -0.00 0.49 0.37 -0.22 -3.12 0.00 0.00 179.24 176.76 1kma s LEU 40 N -8.03 3.31 0.03 1.55 2.96 -0.25 -4.98 118.68 113.26 1kma s LEU 40 Ca -0.03 2.14 -0.19 0.00 -0.22 0.00 0.00 54.13 55.83 1kma s LEU 40 Cb 0.14 -4.56 0.04 0.00 0.50 0.00 0.00 46.19 42.30 1kma s LEU 40 CO 0.74 -1.99 0.44 0.68 -1.32 0.00 0.00 176.35 174.90 1kma s VAL 41 N -2.25 0.05 -1.15 1.68 -7.23 -1.26 -4.97 120.40 105.26 1kma s VAL 41 Ca 0.69 -0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 60.26 1kma s VAL 41 Cb -0.24 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1kma s VAL 41 CO 0.45 -0.21 1.79 -1.58 -0.31 0.00 0.00 175.10 175.24 1kma s GLN 42 N -2.20 3.18 0.31 4.82 2.00 -1.26 -3.18 119.66 123.33 1kma s GLN 42 Ca -0.07 -1.29 0.02 0.00 -2.00 0.00 0.00 55.36 52.01 1kma s GLN 42 Cb -0.01 -5.33 0.56 0.00 0.80 0.00 0.00 33.01 29.03 1kma s GLN 42 CO -0.00 -3.02 1.92 -0.39 -0.50 0.00 0.00 175.29 173.29 1kma h VAL 43 N 6.26 1.06 -1.86 1.34 -1.51 -1.90 -3.45 116.25 116.18 1kma h VAL 43 Ca 0.27 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1kma h VAL 43 Cb 0.94 -0.01 -0.23 0.00 -2.13 0.00 0.00 31.29 29.85 1kma h VAL 43 CO 1.33 0.18 0.23 -2.28 -1.23 0.00 0.00 177.57 175.80 1kma s HIS 44 N -5.87 -0.71 -1.38 5.19 5.65 -1.24 -5.06 115.29 111.87 1kma s HIS 44 Ca -0.11 1.68 -0.11 0.00 0.25 0.00 0.00 55.06 56.77 1kma s HIS 44 Cb 0.20 0.34 0.09 0.00 -1.18 0.00 0.00 32.58 32.03 1kma s HIS 44 CO 0.79 -0.35 2.15 -1.91 -0.65 0.00 0.00 174.74 174.78 1kma n GLU 45 N 2.78 3.43 0.00 2.88 2.13 -1.26 -3.26 120.64 127.34 1kma n GLU 45 Ca -0.14 -3.06 0.00 0.00 0.66 0.00 0.00 57.16 54.62 1kma n GLU 45 Cb 0.56 -3.02 0.00 0.00 0.27 0.00 0.00 31.44 29.25 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 3.25 0.71 3.86 8.31 0.00 -1.26 -4.94 105.19 115.11 1kma n GLY 46 Ca 0.50 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.88 -0.18 1.61 0.04 -1.07 -1.44 135.00 135.85 1kma s PRO 47 Ca 0.00 0.70 -0.23 0.00 0.04 0.00 0.00 61.00 61.51 1kma s PRO 47 Cb 0.00 -2.29 -0.22 0.00 0.04 0.00 0.00 34.50 32.03 1kma s PRO 47 CO 0.00 -0.11 0.41 0.00 0.04 0.00 0.00 177.00 177.34 1kma s ASP 49 N -6.68 6.09 0.18 0.00 1.01 -1.26 -4.82 116.67 111.18 1kma s ASP 49 Ca -0.25 -1.80 -0.15 0.00 0.71 0.00 0.00 52.55 51.06 1kma s ASP 49 Cb 0.03 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.44 1kma s ASP 49 CO 0.64 -1.93 0.73 -0.62 0.21 0.00 0.00 175.17 174.20 1kma n GLU 50 N 8.54 0.57 0.00 8.23 1.02 -1.26 -5.02 120.64 132.72 1kma n GLU 50 Ca 0.43 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1kma n GLU 50 Cb 0.47 1.64 0.00 0.00 -0.02 0.00 0.00 31.44 33.54 1kma n GLU 50 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1kma n HIS 51 N -0.51 -0.01 -3.76 -0.32 -0.00 -1.26 -5.16 115.22 104.20 1kma n HIS 51 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.70 1kma n HIS 51 Cb 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1kma n HIS 51 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1kma s ASP 52 N -2.71 -0.05 -0.36 0.26 1.47 -1.26 -5.06 116.67 108.96 1kma s ASP 52 Ca 0.00 -0.25 0.14 0.00 1.18 0.00 0.00 52.55 53.62 1kma s ASP 52 Cb 0.00 0.24 0.41 0.00 -0.34 0.00 0.00 42.92 43.23 1kma s ASP 52 CO 0.00 -0.46 0.88 1.41 0.68 0.00 0.00 175.17 177.68 1kma n HIS 53 N -0.61 1.12 -3.70 2.11 8.25 -1.26 -5.12 115.22 116.01 1kma n HIS 53 Ca -0.05 -3.27 -0.16 0.00 -0.26 0.00 0.00 57.72 53.99 1kma n HIS 53 Cb 0.61 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.19 1kma n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kma s ASP 54 N -2.91 0.41 0.00 0.41 1.11 -1.26 -5.37 116.67 109.06 1kma s ASP 54 Ca 0.35 0.32 0.25 0.00 0.18 0.00 0.00 52.55 53.65 1kma s ASP 54 Cb 0.40 0.24 0.50 0.00 1.07 0.00 0.00 42.92 45.13 1kma s ASP 54 CO -0.03 -0.21 1.43 0.33 1.18 0.00 0.00 175.17 177.88