#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2koe h VAL 2 N 0.00 0.31 -0.32 12.58 -1.51 -2.04 0.46 116.25 125.72 2koe h VAL 2 Ca 0.00 -0.08 0.07 0.00 -1.23 0.00 0.00 66.70 65.46 2koe h VAL 2 Cb 0.00 0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.14 2koe h VAL 2 CO 0.00 0.04 -0.11 -0.26 -1.23 0.00 0.00 177.57 176.01 2koe h PHE 3 N 0.24 -0.25 -0.25 5.19 0.04 -2.05 0.72 116.94 120.58 2koe h PHE 3 Ca 0.60 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 61.26 2koe h PHE 3 Cb 1.26 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.56 2koe h PHE 3 CO -0.20 -0.18 -0.43 0.00 -0.60 0.00 0.00 178.31 176.91 2koe h ALA 4 N 1.25 0.78 0.50 2.45 0.00 -0.96 -2.55 119.26 120.73 2koe h ALA 4 Ca 0.16 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2koe h ALA 4 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2koe h ALA 4 CO -0.36 0.66 -0.24 0.35 0.00 0.00 0.00 179.25 179.66 2koe h PHE 5 N 0.51 -0.62 -1.18 0.00 3.57 0.14 0.27 116.94 119.63 2koe h PHE 5 Ca 0.04 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.86 2koe h PHE 5 Cb 0.95 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.84 2koe h PHE 5 CO 0.04 -0.39 0.83 0.00 -2.23 0.00 0.00 178.31 176.57 2koe h ALA 6 N -1.66 2.97 0.31 2.41 0.00 0.32 0.74 119.26 124.36 2koe h ALA 6 Ca -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2koe h ALA 6 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2koe h ALA 6 CO 0.11 -1.34 -0.15 0.77 0.00 0.00 0.00 179.25 178.64 2koe h SER 7 N 0.07 -0.36 -0.23 0.00 0.02 -0.98 0.29 113.55 112.36 2koe h SER 7 Ca 0.59 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.60 2koe h SER 7 Cb 2.18 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.76 2koe h SER 7 CO -0.07 -0.06 -0.09 0.24 -1.14 0.00 0.00 176.83 175.70 2koe h MET 8 N -0.80 -0.05 0.09 3.45 2.07 0.84 0.69 114.93 121.22 2koe h MET 8 Ca -0.04 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 2koe h MET 8 Cb 0.32 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.03 2koe h MET 8 CO 0.07 -0.03 -0.39 -0.07 1.07 0.00 0.00 176.91 177.56 2koe h LEU 9 N -0.05 -1.16 -0.64 1.22 -0.00 0.35 1.90 115.31 116.93 2koe h LEU 9 Ca 0.12 0.12 0.10 0.00 -0.00 0.00 0.00 57.88 58.23 2koe h LEU 9 Cb 0.23 0.43 -0.12 0.00 -0.00 0.00 0.00 40.66 41.21 2koe h LEU 9 CO -0.27 -0.41 -0.38 0.00 -0.00 0.00 0.00 178.44 177.38 2koe n LEU 11 N -5.43 0.28 0.20 0.00 7.94 0.20 0.63 117.00 120.82 2koe n LEU 11 Ca 0.04 0.69 0.16 0.00 -1.11 0.00 0.00 56.01 55.79 2koe n LEU 11 Cb 0.36 -0.33 0.63 0.00 0.53 0.00 0.00 43.42 44.61 2koe n LEU 11 CO -0.02 -0.33 1.14 -0.07 -1.11 0.00 0.00 177.39 177.00 2koe h LEU 12 N 0.00 0.00 0.00 -1.96 -0.00 0.31 -1.66 115.31 112.00 2koe h LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2koe h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2koe h LEU 12 CO 0.00 0.00 -0.65 -3.20 -0.00 0.00 0.00 178.44 174.59 2koe n ASN 13 N -3.12 1.52 0.16 -0.43 2.85 0.40 -3.07 115.26 113.57 2koe n ASN 13 Ca 0.04 0.38 0.19 0.00 -0.11 0.00 0.00 54.58 55.08 2koe n ASN 13 Cb 0.68 -0.74 0.79 0.00 1.24 0.00 0.00 39.78 41.76 2koe n ASN 13 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2koe h SER 14 N -0.80 0.00 0.00 1.20 0.87 0.45 -0.04 113.55 115.22 2koe h SER 14 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2koe h SER 14 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2koe h SER 14 CO 0.00 0.00 -0.85 1.07 -0.53 0.00 0.00 176.83 176.52 2koe n THR 15 N -3.68 0.00 -3.12 2.23 5.66 -0.65 -4.88 114.28 109.84 2koe n THR 15 Ca 0.04 -0.15 0.04 0.00 -3.05 0.00 0.00 64.05 60.93 2koe n THR 15 Cb 0.47 0.91 -0.00 0.00 -1.55 0.00 0.00 70.33 70.16 2koe n THR 15 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2koe s VAL 16 N -2.56 -0.66 0.08 1.08 -7.23 -0.04 -5.03 120.40 106.03 2koe s VAL 16 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2koe s VAL 16 Cb 0.12 -0.52 0.00 0.00 0.56 0.00 0.00 36.38 36.54 2koe s VAL 16 CO 0.65 0.00 0.00 0.59 -0.31 0.00 0.00 175.10 176.03 2koe n ASN 17 N 5.02 -0.75 -1.73 4.85 5.03 -1.12 -4.18 115.26 122.38 2koe n ASN 17 Ca 0.07 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2koe n ASN 17 Cb 0.57 0.94 0.00 0.00 -1.02 0.00 0.00 39.78 40.26 2koe n ASN 17 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2koe n PRO 18 N -2.59 0.18 0.00 3.52 -0.02 -1.26 -2.57 135.00 132.25 2koe n PRO 18 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2koe n PRO 18 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2koe n PRO 18 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2koe n ILE 19 N 1.71 0.00 0.02 4.25 5.41 -1.26 -5.02 119.36 124.47 2koe n ILE 19 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2koe n ILE 19 Cb 0.09 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 2koe n ILE 19 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2koe n ILE 20 N -1.01 0.14 -0.56 1.39 -0.00 -1.25 -4.73 119.36 113.35 2koe n ILE 20 Ca 0.00 0.05 -0.07 0.00 -0.00 0.00 0.00 62.75 62.73 2koe n ILE 20 Cb 0.00 -0.99 -0.10 0.00 -0.00 0.00 0.00 39.64 38.55 2koe n ILE 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2koe n TYR 21 N -2.92 0.00 -0.26 1.39 4.11 -1.26 -4.60 117.16 113.62 2koe n TYR 21 Ca 0.00 -0.84 0.06 0.00 -0.00 0.00 0.00 57.90 57.12 2koe n TYR 21 Cb 0.18 -1.07 0.13 0.00 -0.00 0.00 0.00 39.34 38.58 2koe n TYR 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2koe n ALA 22 N 2.72 0.22 0.00 -3.48 0.00 -1.06 -4.21 120.51 114.69 2koe n ALA 22 Ca 0.24 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.47 2koe n ALA 22 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2koe n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2koe n LEU 23 N -5.14 0.00 -0.19 0.00 4.77 -1.26 -4.63 117.00 110.55 2koe n LEU 23 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 2koe n LEU 23 Cb 0.40 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 2koe n LEU 23 CO -0.08 0.00 0.74 0.08 -1.33 0.00 0.00 177.39 176.80 2koe h ARG 24 N 0.00 -0.01 -0.70 3.23 0.11 -1.94 0.18 114.38 115.26 2koe h ARG 24 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2koe h ARG 24 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2koe h ARG 24 CO 0.00 -0.01 0.00 -1.13 0.10 0.00 0.00 179.97 178.93 2koe n SER 25 N -5.41 4.23 -0.27 0.08 3.41 -1.26 -4.33 113.62 110.08 2koe n SER 25 Ca 0.06 -2.19 0.07 0.00 -0.26 0.00 0.00 58.87 56.56 2koe n SER 25 Cb 0.31 -0.52 0.21 0.00 -0.26 0.00 0.00 64.21 63.94 2koe n SER 25 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2koe h LYS 26 N 4.15 0.34 -0.32 4.33 1.79 -0.79 -0.04 116.57 126.02 2koe h LYS 26 Ca 0.00 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2koe h LYS 26 Cb 1.17 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.70 2koe h LYS 26 CO 0.10 0.23 0.08 0.22 -1.08 0.00 0.00 179.45 179.00 2koe h ASP 27 N 0.35 0.05 -0.33 0.86 3.58 -1.75 -0.79 116.42 118.39 2koe h ASP 27 Ca 0.45 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.94 2koe h ASP 27 Cb 0.77 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.85 2koe h ASP 27 CO -0.49 0.07 0.19 -0.07 -2.88 0.00 0.00 179.24 176.06 2koe h LEU 28 N 0.20 0.42 0.19 2.28 3.38 -1.35 -1.04 115.31 119.40 2koe h LEU 28 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2koe h LEU 28 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2koe h LEU 28 CO -0.18 0.35 -0.11 -0.09 0.09 0.00 0.00 178.44 178.50 2koe h ARG 29 N 0.48 -0.26 -0.26 1.13 1.12 -0.13 0.86 114.38 117.32 2koe h ARG 29 Ca 0.13 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.98 2koe h ARG 29 Cb 0.02 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2koe h ARG 29 CO -0.02 -0.17 0.02 1.12 -3.11 0.00 0.00 179.97 177.81 2koe h HIS 30 N -0.27 0.49 -0.53 2.20 2.07 -1.46 0.54 115.15 118.19 2koe h HIS 30 Ca -0.03 -0.08 0.10 0.00 -2.85 0.00 0.00 60.37 57.52 2koe h HIS 30 Cb 0.21 -0.13 -0.08 0.00 2.57 0.00 0.00 27.41 29.98 2koe h HIS 30 CO 0.10 0.58 0.03 0.00 -3.07 0.00 0.00 177.93 175.58 2koe h ALA 31 N 0.84 0.54 -0.45 6.11 0.00 -1.24 2.33 119.26 127.38 2koe h ALA 31 Ca 0.08 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2koe h ALA 31 Cb 0.37 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2koe h ALA 31 CO 0.01 -0.37 0.18 0.35 0.00 0.00 0.00 179.25 179.42 2koe h PHE 32 N 0.15 0.31 -0.48 0.00 3.57 0.14 3.60 116.94 124.24 2koe h PHE 32 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2koe h PHE 32 Cb 0.41 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2koe h PHE 32 CO -0.30 0.13 0.00 0.54 -2.23 0.00 0.00 178.31 176.44 2koe n ARG 33 N -4.98 3.45 0.00 1.11 5.12 0.18 -3.07 116.66 118.47 2koe n ARG 33 Ca 0.04 -2.28 0.00 0.00 -1.93 0.00 0.00 57.85 53.67 2koe n ARG 33 Cb 0.16 -1.88 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 2koe n ARG 33 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2koe n SER 34 N 0.69 0.00 0.03 0.55 7.64 0.74 -4.97 113.62 118.31 2koe n SER 34 Ca 0.20 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.08 2koe n SER 34 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 2koe n SER 34 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2koe n MET 35 N 0.00 0.00 -3.11 1.43 2.81 1.10 -4.89 117.12 114.46 2koe n MET 35 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2koe n MET 35 Cb 0.42 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.86 2koe n MET 35 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2koe s PHE 36 N -2.00 3.02 0.03 2.03 5.36 0.42 -4.89 117.98 121.94 2koe s PHE 36 Ca 0.00 -0.37 -0.05 0.00 -0.96 0.00 0.00 56.93 55.56 2koe s PHE 36 Cb 0.00 -3.54 -0.29 0.00 -0.34 0.00 0.00 43.02 38.85 2koe s PHE 36 CO 0.00 -1.03 0.96 -1.00 -1.46 0.00 0.00 175.22 172.69 2koe h PRO 37 N 9.00 0.28 -5.34 10.12 0.13 -1.87 -3.40 132.00 140.93 2koe h PRO 37 Ca -0.27 -0.48 -0.24 0.00 -0.87 0.00 0.00 66.00 64.14 2koe h PRO 37 Cb 1.09 0.18 0.19 0.00 0.13 0.00 0.00 31.00 32.59 2koe h PRO 37 CO 0.96 1.18 -0.81 0.43 -0.23 0.00 0.00 178.00 179.52 2koe n SER 38 N -3.50 -6.17 -4.56 1.44 7.64 -1.26 -4.81 113.62 102.40 2koe n SER 38 Ca -0.14 -0.67 -0.27 0.00 1.01 0.00 0.00 58.87 58.80 2koe n SER 38 Cb 1.04 -4.99 -0.05 0.00 -1.01 0.00 0.00 64.21 59.20 2koe n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2koe s ALA 39 N -3.37 1.66 0.00 -0.43 0.00 -1.26 -5.29 121.76 113.07 2koe s ALA 39 Ca 0.41 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2koe s ALA 39 Cb -0.05 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.49 2koe s ALA 39 CO 0.70 -4.89 0.00 -1.91 0.00 0.00 0.00 175.76 169.66