#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 0.15 0.00 -1.08 -2.07 -1.26 -4.95 119.66 110.45 1kma s GLN 2 Ca 0.00 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 53.76 1kma s GLN 2 Cb 0.00 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1kma s GLN 2 CO 0.00 -0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.35 1kma n GLY 3 N 2.68 1.65 0.25 2.60 0.00 -1.26 -4.60 105.19 106.52 1kma n GLY 3 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1kma n GLY 3 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kma h ASN 4 N 0.00 -0.47 -0.06 1.61 2.35 -2.01 -3.38 115.58 113.62 1kma h ASN 4 Ca 0.00 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1kma h ASN 4 Cb 0.00 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1kma h ASN 4 CO 0.00 -0.09 -0.07 1.55 -1.65 0.00 0.00 177.43 177.17 1kma h PRO 5 N -0.91 0.15 -5.27 0.81 0.13 -1.87 -3.43 132.00 121.60 1kma h PRO 5 Ca -0.06 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 64.38 1kma h PRO 5 Cb 0.56 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.57 1kma h PRO 5 CO 0.09 0.62 -0.35 0.00 -0.23 0.00 0.00 178.00 178.13 1kma n GLU 7 N 4.34 0.94 -0.95 0.00 1.02 -1.26 -4.05 120.64 120.68 1kma n GLU 7 Ca -0.12 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.68 1kma n GLU 7 Cb 0.52 -0.14 0.09 0.00 -0.02 0.00 0.00 31.44 31.89 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kma s PRO 9 N -3.08 1.28 -0.01 0.00 0.04 -1.26 -4.90 135.00 127.07 1kma s PRO 9 Ca 0.56 0.33 -0.02 0.00 0.04 0.00 0.00 61.00 61.90 1kma s PRO 9 Cb -0.24 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1kma s PRO 9 CO 0.68 -2.11 2.59 0.54 0.04 0.00 0.00 177.00 178.74 1kma n ARG 10 N -3.71 1.38 -1.95 4.56 1.74 -1.26 -4.89 116.66 112.53 1kma n ARG 10 Ca 0.07 -0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 56.32 1kma n ARG 10 Cb 0.59 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.30 3.65 0.00 7.54 0.00 -1.26 -4.91 121.76 127.09 1kma s ALA 11 Ca 0.25 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1kma s ALA 11 Cb 0.12 -3.71 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1kma s ALA 11 CO -0.00 -1.21 2.10 1.28 0.00 0.00 0.00 175.76 177.93 1kma n LEU 12 N 6.16 4.51 -3.52 0.00 7.99 -1.26 -4.41 117.00 126.47 1kma n LEU 12 Ca 0.16 -2.25 -0.40 0.00 -0.01 0.00 0.00 56.01 53.51 1kma n LEU 12 Cb 0.41 -1.03 -0.01 0.00 -0.11 0.00 0.00 43.42 42.69 1kma n LEU 12 CO 0.63 1.00 2.73 1.57 -1.51 0.00 0.00 177.39 181.80 1kma n HIS 13 N 1.86 2.74 -1.69 -1.77 -0.00 -0.95 -4.97 115.22 110.44 1kma n HIS 13 Ca 0.10 -2.94 -0.44 0.00 0.46 0.00 0.00 57.72 54.90 1kma n HIS 13 Cb 0.52 -2.20 -0.02 0.00 -0.12 0.00 0.00 29.99 28.17 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 3.41 2.17 -3.91 1.57 1.74 -1.15 -3.87 116.66 116.63 1kma n ARG 14 Ca 0.63 0.77 -0.17 0.00 -0.77 0.00 0.00 57.85 58.31 1kma n ARG 14 Cb 0.28 -2.45 -0.07 0.00 -1.02 0.00 0.00 32.46 29.20 1kma n ARG 14 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1kma n VAL 15 N 1.93 0.00 -4.91 1.55 0.24 0.15 -3.20 118.33 114.08 1kma n VAL 15 Ca 0.11 -2.07 -0.26 0.00 -2.04 0.00 0.00 64.34 60.08 1kma n VAL 15 Cb 0.33 1.01 -0.16 0.00 -1.47 0.00 0.00 33.84 33.55 1kma n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kma s GLY 17 N -0.19 1.81 0.51 0.00 0.00 0.07 -4.40 107.32 105.11 1kma s GLY 17 Ca 0.01 -1.40 0.29 0.00 0.00 0.00 0.00 44.72 43.62 1kma s GLY 17 CO 0.01 -1.19 1.87 1.48 0.00 0.00 0.00 173.10 175.27 1kma h SER 18 N 0.36 0.10 0.00 1.64 4.64 -1.87 0.13 113.55 118.55 1kma h SER 18 Ca -0.42 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1kma h SER 18 Cb 1.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1kma h SER 18 CO 0.51 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.97 1kma n ASP 19 N -4.33 0.00 0.00 4.97 8.00 -1.26 -4.79 116.55 119.14 1kma n ASP 19 Ca 0.20 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1kma n ASP 19 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.10 0.88 3.60 0.44 0.00 0.44 -4.99 105.19 105.47 1kma n GLY 20 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.86 6.38 0.44 1.61 3.84 -1.16 -4.33 114.94 118.85 1kma s ASN 21 Ca 0.00 0.88 -0.25 0.00 0.21 0.00 0.00 52.86 53.71 1kma s ASN 21 Cb 0.00 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 38.08 1kma s ASN 21 CO 0.00 -1.38 1.28 -0.89 -2.79 0.00 0.00 177.10 173.32 1kma s THR 22 N 5.27 2.64 0.06 -5.21 2.01 -1.26 -0.75 115.64 118.41 1kma s THR 22 Ca 0.61 0.54 0.09 0.00 0.31 0.00 0.00 61.69 63.24 1kma s THR 22 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1kma s THR 22 CO 0.31 0.05 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.73 1kma s TYR 23 N -1.33 2.36 0.53 4.92 1.51 0.12 -4.89 117.35 120.57 1kma s TYR 23 Ca 0.60 -0.38 0.21 0.00 -1.01 0.00 0.00 57.07 56.49 1kma s TYR 23 Cb -0.36 -1.38 1.38 0.00 -0.11 0.00 0.00 41.96 41.49 1kma s TYR 23 CO 0.46 0.18 2.11 1.03 -1.11 0.00 0.00 175.55 178.22 1kma h SER 24 N 4.60 0.00 -4.73 2.29 0.87 -1.88 0.45 113.55 115.15 1kma h SER 24 Ca -0.47 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1kma h SER 24 Cb 1.15 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.94 1kma h SER 24 CO 0.43 0.00 0.36 0.54 -0.53 0.00 0.00 176.83 177.63 1kma s ASN 25 N -6.66 -0.49 0.35 6.23 2.20 -1.25 -2.23 114.94 113.09 1kma s ASN 25 Ca -0.05 0.23 0.27 0.00 -0.94 0.00 0.00 52.86 52.37 1kma s ASN 25 Cb 0.17 0.46 1.10 0.00 -2.00 0.00 0.00 41.25 40.99 1kma s ASN 25 CO 0.66 -0.66 1.80 1.55 -2.94 0.00 0.00 177.10 177.51 1kma h PRO 26 N 2.33 0.00 -0.36 3.55 0.13 -1.86 -2.63 132.00 133.15 1kma h PRO 26 Ca -0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1kma h PRO 26 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1kma h PRO 26 CO 0.35 0.00 -0.29 0.00 -0.23 0.00 0.00 178.00 177.82 1kma h MET 28 N 0.63 0.19 0.17 0.00 2.86 -1.85 -1.15 114.93 115.78 1kma h MET 28 Ca 0.07 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1kma h MET 28 Cb 0.87 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1kma h MET 28 CO 0.08 0.43 -0.09 1.25 1.06 0.00 0.00 176.91 179.64 1kma h LEU 29 N 0.17 -0.20 -1.08 1.22 6.46 -1.39 0.11 115.31 120.60 1kma h LEU 29 Ca 0.03 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 57.98 1kma h LEU 29 Cb 0.54 0.05 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 1kma h LEU 29 CO 0.04 -0.14 0.61 0.00 -0.62 0.00 0.00 178.44 178.33 1kma h THR 30 N -0.23 0.74 0.05 1.05 1.03 -1.38 0.27 112.91 114.44 1kma h THR 30 Ca -0.02 -0.26 -0.00 0.00 -0.01 0.00 0.00 66.41 66.12 1kma h THR 30 Cb 0.18 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.17 1kma h THR 30 CO 0.04 0.14 -0.08 0.00 -0.01 0.00 0.00 175.52 175.61 1kma n ALA 32 N -2.43 -0.00 0.07 0.00 0.00 0.38 0.42 120.51 118.95 1kma n ALA 32 Ca -0.02 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.31 1kma n ALA 32 Cb 0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.48 0.00 0.00 3.64 -0.14 0.20 116.57 119.79 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 0.62 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1kma h LYS 33 CO -0.97 -0.32 0.00 0.45 -2.27 0.00 0.00 179.45 176.35 1kma h HIS 34 N -0.50 0.00 0.04 1.91 3.86 -0.20 -1.65 115.15 118.61 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 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1kma h HIS 34 CO -0.40 0.00 -0.02 1.49 0.86 0.00 0.00 177.93 179.86 1kma h GLU 35 N 0.00 -0.05 0.00 2.45 4.22 0.99 -3.47 114.58 118.72 1kma h GLU 35 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1kma h GLU 35 Cb 0.24 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1kma h GLU 35 CO 0.00 -0.04 -0.15 0.41 -2.18 0.00 0.00 179.01 177.05 1kma n GLY 36 N 1.58 0.80 2.64 1.92 0.00 0.56 -4.76 105.19 107.93 1kma n GLY 36 Ca -0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 0.01 3.11 0.26 1.61 2.85 -0.35 -4.93 115.26 117.82 1kma n ASN 37 Ca -0.10 -3.42 0.17 0.00 -0.11 0.00 0.00 54.58 51.13 1kma n ASN 37 Cb 0.60 -0.59 0.91 0.00 1.24 0.00 0.00 39.78 41.94 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 3.06 0.00 0.00 1.20 0.13 -1.85 -0.27 132.00 134.26 1kma h PRO 38 Ca 0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 1kma h PRO 38 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1kma h PRO 38 CO 0.70 0.00 -0.59 0.22 -0.23 0.00 0.00 178.00 178.10 1kma h ASP 39 N 0.00 0.00 -4.16 1.44 3.58 -1.91 -3.46 116.42 111.91 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 0.05 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.23 1kma h ASP 39 CO 0.00 0.59 0.40 -0.22 -2.88 0.00 0.00 179.24 177.14 1kma s LEU 40 N -6.63 3.44 -0.03 2.28 2.96 -0.11 -4.98 118.68 115.61 1kma s LEU 40 Ca 0.03 2.22 -0.17 0.00 -0.22 0.00 0.00 54.13 55.99 1kma s LEU 40 Cb 0.09 -4.58 0.03 0.00 0.50 0.00 0.00 46.19 42.23 1kma s LEU 40 CO 0.75 -1.84 0.36 0.68 -1.32 0.00 0.00 176.35 174.98 1kma s VAL 41 N -2.02 0.05 -1.06 1.68 -7.23 -1.26 -4.97 120.40 105.59 1kma s VAL 41 Ca 0.72 -0.39 -0.23 0.00 -1.81 0.00 0.00 61.98 60.27 1kma s VAL 41 Cb -0.26 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1kma s VAL 41 CO 0.40 -0.21 1.84 -1.58 -0.31 0.00 0.00 175.10 175.24 1kma s GLN 42 N -1.23 2.86 0.17 4.82 2.00 -1.26 -3.98 119.66 123.04 1kma s GLN 42 Ca -0.13 -0.90 -0.15 0.00 -2.00 0.00 0.00 55.36 52.18 1kma s GLN 42 Cb -0.04 -5.22 0.10 0.00 0.80 0.00 0.00 33.01 28.64 1kma s GLN 42 CO 0.05 -3.26 1.75 -0.39 -0.50 0.00 0.00 175.29 172.94 1kma h VAL 43 N 6.64 0.89 0.00 1.34 -1.51 -1.93 -3.48 116.25 118.20 1kma h VAL 43 Ca 0.19 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1kma h VAL 43 Cb 0.97 0.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1kma h VAL 43 CO 1.28 0.06 0.00 1.57 -1.23 0.00 0.00 177.57 179.25 1kma n HIS 44 N -5.00 0.00 -0.59 5.19 -0.00 -1.26 -5.09 115.22 108.47 1kma n HIS 44 Ca 0.03 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.11 1kma n HIS 44 Cb 0.15 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.10 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 -0.69 -1.91 -0.46 1.57 0.00 -1.26 -4.03 120.64 113.85 1kma n GLU 45 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 57.16 56.59 1kma n GLU 45 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 31.44 30.88 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 -0.24 -3.40 3.78 -1.84 0.00 -1.25 -4.48 105.19 97.75 1kma n GLY 46 Ca 0.05 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 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 -5.15 4.58 -0.08 1.61 0.04 -1.20 -1.16 135.00 133.63 1kma s PRO 47 Ca 0.00 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 1kma s PRO 47 Cb 0.00 -2.86 -0.29 0.00 0.04 0.00 0.00 34.50 31.39 1kma s PRO 47 CO 0.00 0.26 0.65 0.00 0.04 0.00 0.00 177.00 177.95 1kma s ASP 49 N -7.08 3.80 0.04 0.00 -1.08 -1.26 -4.99 116.67 106.10 1kma s ASP 49 Ca -0.18 2.02 -0.21 0.00 -0.52 0.00 0.00 52.55 53.67 1kma s ASP 49 Cb 0.04 -2.55 -0.11 0.00 -1.46 0.00 0.00 42.92 38.84 1kma s ASP 49 CO 0.80 -2.51 1.32 -0.33 0.52 0.00 0.00 175.17 174.96 1kma h GLU 50 N -1.37 -0.66 0.00 4.34 4.39 -1.99 -3.44 114.58 115.85 1kma h GLU 50 Ca -0.44 0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.22 1kma h GLU 50 Cb 1.25 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.96 1kma h GLU 50 CO 0.47 -0.44 -0.18 -2.39 -1.16 0.00 0.00 179.01 175.31 1kma n HIS 51 N -4.07 -0.59 -3.42 4.33 1.44 -1.26 -5.04 115.22 106.61 1kma n HIS 51 Ca -0.08 -0.66 0.00 0.00 -2.01 0.00 0.00 57.72 54.97 1kma n HIS 51 Cb 0.28 0.76 0.00 0.00 0.12 0.00 0.00 29.99 31.15 1kma n HIS 51 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1kma n ASP 52 N -0.44 0.00 -2.70 4.39 8.00 -1.26 -5.12 116.55 119.42 1kma n ASP 52 Ca -0.15 -0.75 -0.05 0.00 0.71 0.00 0.00 54.79 54.55 1kma n ASP 52 Cb 0.63 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.82 1kma n ASP 52 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1kma n HIS 53 N 0.00 -1.16 -3.55 1.24 -0.00 -1.26 -4.84 115.22 105.65 1kma n HIS 53 Ca 0.00 -2.07 -0.08 0.00 -0.00 0.00 0.00 57.72 55.57 1kma n HIS 53 Cb 0.00 0.96 -0.03 0.00 -0.00 0.00 0.00 29.99 30.92 1kma n HIS 53 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1kma s ASP 54 N -1.91 -0.31 0.00 0.26 -4.77 -1.26 -5.18 116.67 103.51 1kma s ASP 54 Ca 0.20 0.11 0.31 0.00 -3.30 0.00 0.00 52.55 49.87 1kma s ASP 54 Cb 0.41 0.30 1.62 0.00 -1.09 0.00 0.00 42.92 44.17 1kma s ASP 54 CO -0.07 -0.45 2.07 0.49 0.70 0.00 0.00 175.17 177.91