#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 -1.93 -1.08 6.02 -1.26 -4.99 117.38 114.13 1kma n GLN 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1kma n GLN 2 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kma n GLY 3 N -1.40 4.62 1.38 1.08 0.00 -1.26 -2.21 105.19 107.39 1kma n GLY 3 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 4.48 -0.65 -0.12 1.61 3.02 -1.26 -4.96 115.26 117.38 1kma n ASN 4 Ca 0.52 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 55.13 1kma n ASN 4 Cb 0.34 0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 40.39 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1kma h PRO 5 N 0.00 0.72 -3.92 3.52 0.13 -1.86 -3.42 132.00 127.17 1kma h PRO 5 Ca 0.00 -0.29 -0.77 0.00 -0.87 0.00 0.00 66.00 64.07 1kma h PRO 5 Cb 0.00 -0.03 -0.27 0.00 0.13 0.00 0.00 31.00 30.83 1kma h PRO 5 CO 0.00 0.89 -0.08 0.00 -0.23 0.00 0.00 178.00 178.57 1kma n GLU 7 N 4.33 -0.03 -2.45 0.00 0.28 -1.26 -4.80 120.64 116.70 1kma n GLU 7 Ca 0.04 -0.68 -0.23 0.00 -0.16 0.00 0.00 57.16 56.13 1kma n GLU 7 Cb 0.44 -0.95 0.06 0.00 1.43 0.00 0.00 31.44 32.42 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 -5.00 2.55 0.00 0.00 0.04 -1.26 -4.96 135.00 126.36 1kma s PRO 9 Ca 0.60 -0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 1kma s PRO 9 Cb -0.10 -2.17 -0.15 0.00 0.04 0.00 0.00 34.50 32.12 1kma s PRO 9 CO 0.42 -1.03 2.86 0.54 0.04 0.00 0.00 177.00 179.83 1kma n ARG 10 N -2.83 1.53 -1.83 4.56 3.00 -1.26 -4.89 116.66 114.94 1kma n ARG 10 Ca 0.06 -0.56 -0.42 0.00 -0.01 0.00 0.00 57.85 56.93 1kma n ARG 10 Cb 0.59 -1.57 -0.03 0.00 0.00 0.00 0.00 32.46 31.45 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 0.63 3.56 0.00 7.54 0.00 -1.26 -4.90 121.76 127.33 1kma s ALA 11 Ca 0.37 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1kma s ALA 11 Cb 0.18 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 1kma s ALA 11 CO 0.00 -1.55 2.02 1.28 0.00 0.00 0.00 175.76 177.51 1kma n LEU 12 N 7.53 4.27 -3.63 0.00 7.99 -1.26 -4.40 117.00 127.50 1kma n LEU 12 Ca 0.19 -2.15 -0.41 0.00 -0.01 0.00 0.00 56.01 53.63 1kma n LEU 12 Cb 0.42 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1kma n LEU 12 CO 0.65 0.94 2.15 1.57 -1.51 0.00 0.00 177.39 181.20 1kma n HIS 13 N 1.89 2.68 -1.75 -1.77 -0.00 -0.69 -4.96 115.22 110.63 1kma n HIS 13 Ca 0.10 -2.78 -0.42 0.00 0.46 0.00 0.00 57.72 55.08 1kma n HIS 13 Cb 0.50 -1.80 -0.00 0.00 -0.12 0.00 0.00 29.99 28.57 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kma n ARG 14 N 2.23 2.47 -3.92 1.57 1.74 -1.03 -3.94 116.66 115.77 1kma n ARG 14 Ca 0.53 0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 58.39 1kma n ARG 14 Cb 0.29 -2.54 -0.08 0.00 -1.02 0.00 0.00 32.46 29.10 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 -1.11 0.16 -0.07 1.55 -7.23 0.09 -3.13 120.40 110.65 1kma s VAL 15 Ca 0.54 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 59.21 1kma s VAL 15 Cb -0.51 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1kma s VAL 15 CO 0.63 -0.73 0.39 0.00 -0.31 0.00 0.00 175.10 175.08 1kma s GLY 17 N -0.30 1.57 0.38 0.00 0.00 0.18 -4.45 107.32 104.71 1kma s GLY 17 Ca 0.22 -1.20 0.21 0.00 0.00 0.00 0.00 44.72 43.95 1kma s GLY 17 CO 0.10 -1.06 1.66 1.48 0.00 0.00 0.00 173.10 175.27 1kma h SER 18 N 0.57 0.40 0.01 1.64 4.64 -1.86 0.11 113.55 119.07 1kma h SER 18 Ca -0.46 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1kma h SER 18 Cb 1.25 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1kma h SER 18 CO 0.56 -0.15 0.00 0.47 -0.87 0.00 0.00 176.83 176.83 1kma n ASP 19 N -4.91 0.00 0.00 4.97 9.92 -1.26 -4.78 116.55 120.49 1kma n ASP 19 Ca 0.33 -0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1kma n ASP 19 Cb 1.14 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.61 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 0.00 1.43 3.55 0.44 0.00 0.37 -5.01 105.19 105.97 1kma n GLY 20 Ca 0.12 0.00 -0.39 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 -3.16 5.43 0.47 1.61 3.84 -1.05 -3.88 114.94 118.20 1kma s ASN 21 Ca 0.00 0.19 -0.23 0.00 0.21 0.00 0.00 52.86 53.02 1kma s ASN 21 Cb 0.00 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 38.09 1kma s ASN 21 CO 0.00 -2.28 1.23 -0.89 -2.79 0.00 0.00 177.10 172.37 1kma s THR 22 N 8.46 2.79 0.19 -5.21 2.01 -1.26 -0.64 115.64 121.99 1kma s THR 22 Ca 0.61 0.62 0.08 0.00 0.31 0.00 0.00 61.69 63.31 1kma s THR 22 Cb -0.12 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1kma s THR 22 CO 0.20 0.01 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.68 1kma s TYR 23 N -1.43 1.71 0.47 4.92 1.51 0.15 -4.90 117.35 119.78 1kma s TYR 23 Ca 0.64 -0.55 0.17 0.00 -1.01 0.00 0.00 57.07 56.32 1kma s TYR 23 Cb -0.33 -0.81 1.16 0.00 -0.11 0.00 0.00 41.96 41.86 1kma s TYR 23 CO 0.40 0.34 2.05 0.77 -1.11 0.00 0.00 175.55 178.00 1kma h SER 24 N 2.78 0.00 -4.72 2.29 0.02 -1.89 0.29 113.55 112.31 1kma h SER 24 Ca -0.39 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1kma h SER 24 Cb 1.22 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.58 1kma h SER 24 CO 0.59 0.13 0.35 0.54 -1.14 0.00 0.00 176.83 177.29 1kma s ASN 25 N -6.88 -0.50 0.44 3.07 2.20 -1.25 -1.70 114.94 110.31 1kma s ASN 25 Ca -0.04 0.29 0.30 0.00 -0.94 0.00 0.00 52.86 52.47 1kma s ASN 25 Cb 0.16 0.46 1.21 0.00 -2.00 0.00 0.00 41.25 41.08 1kma s ASN 25 CO 0.67 -0.64 1.88 1.55 -2.94 0.00 0.00 177.10 177.61 1kma h PRO 26 N 2.41 0.00 -0.31 3.55 0.13 -1.88 -2.25 132.00 133.64 1kma h PRO 26 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1kma h PRO 26 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1kma h PRO 26 CO 0.35 0.00 0.14 0.00 -0.23 0.00 0.00 178.00 178.26 1kma h MET 28 N 0.36 0.20 0.59 0.00 2.86 -1.79 0.74 114.93 117.90 1kma h MET 28 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1kma h MET 28 Cb 0.14 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.78 1kma h MET 28 CO -0.01 0.44 -0.28 1.25 1.06 0.00 0.00 176.91 179.37 1kma h LEU 29 N 0.18 -0.67 -1.46 1.22 6.46 -1.37 0.13 115.31 119.79 1kma h LEU 29 Ca 0.03 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1kma h LEU 29 Cb 0.55 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.62 1kma h LEU 29 CO 0.04 -0.47 0.40 0.00 -0.62 0.00 0.00 178.44 177.79 1kma h THR 30 N -0.83 1.08 0.15 1.05 1.03 -0.96 0.25 112.91 114.68 1kma h THR 30 Ca -0.08 -0.24 -0.00 0.00 -0.01 0.00 0.00 66.41 66.07 1kma h THR 30 Cb 0.61 0.31 -0.01 0.00 -1.07 0.00 0.00 68.15 67.99 1kma h THR 30 CO 0.13 0.13 -0.18 0.00 -0.01 0.00 0.00 175.52 175.59 1kma n ALA 32 N -2.48 -0.07 0.08 0.00 0.00 0.44 0.28 120.51 118.76 1kma n ALA 32 Ca -0.04 0.94 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1kma n ALA 32 Cb 0.16 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.54 0.00 0.00 3.64 -0.23 0.23 116.57 119.67 1kma h LYS 33 Ca 0.34 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1kma h LYS 33 Cb 0.57 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1kma h LYS 33 CO -0.92 -0.36 0.00 0.45 -2.27 0.00 0.00 179.45 176.35 1kma h HIS 34 N -0.56 0.00 0.09 1.91 3.86 -0.39 -1.45 115.15 118.61 1kma h HIS 34 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1kma h HIS 34 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1kma h HIS 34 CO -0.43 0.00 -0.04 1.49 0.86 0.00 0.00 177.93 179.81 1kma h GLU 35 N 0.00 -0.12 0.00 2.45 4.22 0.83 -3.46 114.58 118.50 1kma h GLU 35 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1kma h GLU 35 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1kma h GLU 35 CO 0.00 0.20 0.00 0.41 -2.18 0.00 0.00 179.01 177.44 1kma n GLY 36 N 1.30 0.72 2.80 1.92 0.00 0.66 -4.74 105.19 107.85 1kma n GLY 36 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 4.18 0.31 1.61 2.85 -0.32 -4.91 115.26 118.98 1kma n ASN 37 Ca 0.00 -3.61 0.19 0.00 -0.11 0.00 0.00 54.58 51.06 1kma n ASN 37 Cb 0.36 -0.58 1.04 0.00 1.24 0.00 0.00 39.78 41.83 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 3.22 0.00 0.00 1.20 0.13 -1.85 -0.12 132.00 134.58 1kma h PRO 38 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 1kma h PRO 38 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1kma h PRO 38 CO 0.81 0.02 -0.47 -0.44 -0.23 0.00 0.00 178.00 177.68 1kma h ASP 39 N 0.00 0.00 -4.24 1.44 3.32 -1.91 -3.45 116.42 111.58 1kma h ASP 39 Ca -0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1kma h ASP 39 Cb 0.11 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.80 1kma h ASP 39 CO 0.00 0.47 0.33 -0.22 -1.72 0.00 0.00 179.24 178.10 1kma s LEU 40 N -7.87 3.16 -0.03 1.55 2.96 -0.06 -5.01 118.68 113.39 1kma s LEU 40 Ca -0.02 2.07 -0.17 0.00 -0.22 0.00 0.00 54.13 55.79 1kma s LEU 40 Cb 0.13 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 42.30 1kma s LEU 40 CO 0.74 -2.20 0.36 0.68 -1.32 0.00 0.00 176.35 174.61 1kma s VAL 41 N -2.48 0.05 -0.96 1.68 -7.23 -1.26 -4.97 120.40 105.22 1kma s VAL 41 Ca 0.67 -0.38 -0.24 0.00 -1.81 0.00 0.00 61.98 60.22 1kma s VAL 41 Cb -0.22 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1kma s VAL 41 CO 0.50 -0.21 1.80 -1.58 -0.31 0.00 0.00 175.10 175.30 1kma s GLN 42 N -1.21 2.88 0.12 4.82 2.00 -1.26 -4.06 119.66 122.94 1kma s GLN 42 Ca -0.12 -0.61 -0.26 0.00 -2.00 0.00 0.00 55.36 52.36 1kma s GLN 42 Cb -0.04 -5.17 -0.06 0.00 0.80 0.00 0.00 33.01 28.54 1kma s GLN 42 CO 0.05 -3.06 1.63 -0.39 -0.50 0.00 0.00 175.29 173.02 1kma h VAL 43 N 7.03 0.39 0.00 1.34 -1.51 -1.94 -3.49 116.25 118.07 1kma h VAL 43 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 1kma h VAL 43 Cb 1.00 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1kma h VAL 43 CO 1.28 0.00 0.00 1.57 -1.23 0.00 0.00 177.57 179.19 1kma n HIS 44 N -5.39 0.00 -1.41 5.19 -0.00 -1.26 -5.10 115.22 107.25 1kma n HIS 44 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1kma n HIS 44 Cb 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 1kma n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1kma n GLU 45 N -0.25 0.47 0.00 1.57 -0.00 -1.26 -4.37 120.64 116.80 1kma n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1kma n GLU 45 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kma n GLY 46 N 5.00 -2.29 3.70 -1.84 0.00 -1.24 -4.43 105.19 104.09 1kma n GLY 46 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.47 4.47 -0.10 1.61 0.04 -1.18 -0.31 135.00 135.05 1kma s PRO 47 Ca 0.00 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 1kma s PRO 47 Cb 0.00 -3.47 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 1kma s PRO 47 CO 0.00 -0.22 0.37 0.00 0.04 0.00 0.00 177.00 177.19 1kma s ASP 49 N -5.66 3.01 0.15 0.00 -1.08 -1.25 -4.94 116.67 106.90 1kma s ASP 49 Ca -0.07 1.08 -0.30 0.00 -0.52 0.00 0.00 52.55 52.73 1kma s ASP 49 Cb -0.01 -1.70 -0.08 0.00 -1.46 0.00 0.00 42.92 39.68 1kma s ASP 49 CO 0.26 -2.88 1.23 -1.83 0.52 0.00 0.00 175.17 172.47 1kma s GLU 50 N -5.11 4.45 -0.10 4.34 -1.05 -1.26 -4.96 118.70 115.01 1kma s GLU 50 Ca 0.65 1.89 -0.06 0.00 -0.15 0.00 0.00 54.97 57.29 1kma s GLU 50 Cb -0.17 -3.26 -0.02 0.00 -0.44 0.00 0.00 34.13 30.24 1kma s GLU 50 CO 0.56 -0.17 -0.12 1.25 0.95 0.00 0.00 175.26 177.72 1kma h HIS 51 N 5.74 0.00 0.00 4.83 -0.00 -1.92 -3.43 115.15 120.36 1kma h HIS 51 Ca -0.44 0.00 -0.43 0.00 -0.00 0.00 0.00 60.37 59.50 1kma h HIS 51 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1kma h HIS 51 CO 0.64 0.00 2.81 -0.25 -0.00 0.00 0.00 177.93 181.12 1kma n ASP 52 N -4.01 5.71 -3.55 3.26 9.92 -1.26 -4.83 116.55 121.79 1kma n ASP 52 Ca -0.05 -2.37 -0.39 0.00 -0.53 0.00 0.00 54.79 51.45 1kma n ASP 52 Cb 0.18 -1.19 -0.04 0.00 -0.64 0.00 0.00 41.12 39.43 1kma n ASP 52 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1kma n HIS 53 N 4.03 1.94 0.11 1.24 -0.00 -1.26 -4.65 115.22 116.64 1kma n HIS 53 Ca 0.51 -1.96 -0.02 0.00 0.46 0.00 0.00 57.72 56.71 1kma n HIS 53 Cb 0.16 -1.79 0.05 0.00 -0.12 0.00 0.00 29.99 28.29 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 7.40 0.00 0.00 0.26 3.58 -2.01 -3.56 116.42 122.10 1kma h ASP 54 Ca 0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1kma h ASP 54 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1kma h ASP 54 CO 1.87 0.73 0.00 0.33 -2.88 0.00 0.00 179.24 179.29