#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjk n ASP 2 N 0.00 0.00 -0.06 3.17 5.75 -1.26 -4.97 116.55 119.18 1fjk n ASP 2 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.71 1fjk n ASP 2 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1fjk n ASP 2 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1fjk n LYS 3 N -1.26 1.26 0.09 0.11 2.85 -1.26 -4.42 118.16 115.53 1fjk n LYS 3 Ca 0.00 0.04 0.08 0.00 -1.05 0.00 0.00 58.31 57.38 1fjk n LYS 3 Cb 0.00 -1.25 0.37 0.00 -0.65 0.00 0.00 35.03 33.50 1fjk n LYS 3 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1fjk n VAL 4 N -2.64 1.20 -0.02 0.58 3.14 -1.26 -1.66 118.33 117.67 1fjk n VAL 4 Ca -0.19 0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 61.48 1fjk n VAL 4 Cb 0.78 -1.39 -0.11 0.00 -1.06 0.00 0.00 33.84 32.06 1fjk n VAL 4 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1fjk h GLN 5 N 0.00 0.31 0.07 1.45 3.07 -1.94 -2.78 115.11 115.29 1fjk h GLN 5 Ca 0.00 -0.31 -0.31 0.00 0.09 0.00 0.00 58.65 58.13 1fjk h GLN 5 Cb 0.14 0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.76 1fjk h GLN 5 CO 0.00 0.99 -1.64 0.10 0.09 0.00 0.00 178.83 178.37 1fjk h TYR 6 N -0.26 0.27 -0.96 0.06 -0.00 -1.76 -3.11 116.97 111.22 1fjk h TYR 6 Ca -0.05 -0.20 0.05 0.00 -0.00 0.00 0.00 58.73 58.54 1fjk h TYR 6 Cb 1.12 -0.01 -0.06 0.00 -0.00 0.00 0.00 36.73 37.78 1fjk h TYR 6 CO 0.15 1.30 0.62 -0.07 -0.00 0.00 0.00 178.16 180.17 1fjk h LEU 7 N 0.04 1.01 -0.28 0.10 3.38 -1.45 -2.20 115.31 115.90 1fjk h LEU 7 Ca -0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1fjk h LEU 7 Cb 2.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1fjk h LEU 7 CO 0.12 0.66 -0.39 0.74 0.09 0.00 0.00 178.44 179.66 1fjk h THR 8 N 1.16 1.30 -0.86 0.22 2.02 -1.59 -1.74 112.91 113.41 1fjk h THR 8 Ca 0.40 -1.58 0.14 0.00 0.77 0.00 0.00 66.41 66.14 1fjk h THR 8 Cb 0.09 1.62 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 1fjk h THR 8 CO -0.15 0.51 0.46 -0.09 0.37 0.00 0.00 175.52 176.61 1fjk h ARG 9 N 0.52 0.65 -0.00 6.66 2.43 -1.34 0.25 114.38 123.55 1fjk h ARG 9 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1fjk h ARG 9 Cb 0.98 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1fjk h ARG 9 CO 0.09 0.43 -0.24 -1.13 -1.51 0.00 0.00 179.97 177.61 1fjk n SER 10 N -4.84 0.34 0.08 -3.80 3.41 -0.94 -2.23 113.62 105.64 1fjk n SER 10 Ca 0.17 -0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.62 1fjk n SER 10 Cb 0.41 -0.08 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1fjk n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fjk h ALA 11 N 3.15 0.43 0.00 7.33 0.00 0.43 -3.25 119.26 127.34 1fjk h ALA 11 Ca 0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.94 1fjk h ALA 11 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1fjk h ALA 11 CO 0.00 1.10 -1.53 -0.89 0.00 0.00 0.00 179.25 177.93 1fjk n ILE 12 N -3.48 0.53 -0.10 0.00 -0.00 -1.04 -4.34 119.36 110.93 1fjk n ILE 12 Ca -0.02 -0.21 -0.11 0.00 -0.00 0.00 0.00 62.75 62.42 1fjk n ILE 12 Cb 0.89 -0.83 -0.03 0.00 -0.00 0.00 0.00 39.64 39.67 1fjk n ILE 12 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1fjk h ARG 13 N 0.00 0.49 -0.94 0.38 2.47 -1.65 1.05 114.38 116.19 1fjk h ARG 13 Ca -0.21 -0.13 -0.22 0.00 -1.26 0.00 0.00 59.98 58.16 1fjk h ARG 13 Cb 1.33 -0.06 -0.13 0.00 -1.65 0.00 0.00 29.97 29.46 1fjk h ARG 13 CO -0.03 0.60 0.28 0.54 0.56 0.00 0.00 179.97 181.92 1fjk n ARG 14 N -4.63 2.13 0.00 0.04 1.74 -1.23 -3.31 116.66 111.40 1fjk n ARG 14 Ca -0.02 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 1fjk n ARG 14 Cb 0.21 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1fjk n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fjk n ALA 15 N -0.23 1.42 0.94 7.54 0.00 -1.00 -4.76 120.51 124.42 1fjk n ALA 15 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.86 1fjk n ALA 15 Cb 1.07 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.74 1fjk n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fjk n SER 16 N -1.50 2.77 0.00 0.00 7.64 0.36 -3.50 113.62 119.38 1fjk n SER 16 Ca 0.00 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1fjk n SER 16 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1fjk n SER 16 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1fjk n THR 17 N 1.12 0.00 0.01 0.44 -1.04 -1.21 -4.39 114.28 109.21 1fjk n THR 17 Ca 0.16 -0.30 0.05 0.00 -2.04 0.00 0.00 64.05 61.93 1fjk n THR 17 Cb 0.54 0.86 -0.08 0.00 -1.82 0.00 0.00 70.33 69.83 1fjk n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fjk n ILE 18 N -0.85 0.00 -0.01 12.58 0.13 -1.26 -4.06 119.36 125.89 1fjk n ILE 18 Ca 0.00 -0.24 0.09 0.00 -1.10 0.00 0.00 62.75 61.50 1fjk n ILE 18 Cb 0.00 0.29 -0.14 0.00 -0.84 0.00 0.00 39.64 38.94 1fjk n ILE 18 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1fjk n GLU 19 N -1.84 0.57 -2.90 9.51 -0.58 -1.23 -4.67 120.64 119.50 1fjk n GLU 19 Ca -0.02 -0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.43 1fjk n GLU 19 Cb 0.27 -1.44 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1fjk n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fjk n MET 20 N -2.15 1.06 0.16 3.49 0.00 -1.26 -4.91 117.12 113.50 1fjk n MET 20 Ca -0.04 -3.01 0.01 0.00 0.00 0.00 0.00 57.70 54.66 1fjk n MET 20 Cb 0.49 -1.30 0.24 0.00 0.00 0.00 0.00 33.22 32.65 1fjk n MET 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1fjk h PRO 21 N 2.90 0.00 0.05 3.17 0.13 -1.80 0.28 132.00 136.74 1fjk h PRO 21 Ca -0.03 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.81 1fjk h PRO 21 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1fjk h PRO 21 CO 0.40 0.52 -1.52 1.96 -0.23 0.00 0.00 178.00 179.14 1fjk h GLN 22 N 0.00 0.10 0.05 0.86 4.20 -1.92 -3.22 115.11 115.18 1fjk h GLN 22 Ca -0.01 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1fjk h GLN 22 Cb 0.98 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1fjk h GLN 22 CO 0.07 0.87 -0.55 0.37 -0.67 0.00 0.00 178.83 178.92 1fjk h GLN 23 N 0.03 0.10 -0.75 1.46 5.75 -1.92 -3.21 115.11 116.57 1fjk h GLN 23 Ca -0.22 -0.17 0.12 0.00 -0.15 0.00 0.00 58.65 58.23 1fjk h GLN 23 Cb 1.96 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 30.49 1fjk h GLN 23 CO 0.12 1.08 0.35 0.00 -2.65 0.00 0.00 178.83 177.73 1fjk h ALA 24 N -0.06 1.06 -0.52 3.38 0.00 -0.61 0.39 119.26 122.90 1fjk h ALA 24 Ca -0.12 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fjk h ALA 24 Cb 1.28 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1fjk h ALA 24 CO 0.01 -0.12 0.31 -0.09 0.00 0.00 0.00 179.25 179.36 1fjk h ARG 25 N 0.55 0.59 -0.20 0.00 2.43 -1.67 0.79 114.38 116.86 1fjk h ARG 25 Ca 0.39 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1fjk h ARG 25 Cb 0.51 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1fjk h ARG 25 CO -0.33 0.39 -0.17 1.96 -1.51 0.00 0.00 179.97 180.31 1fjk h GLN 26 N 0.61 0.47 -0.83 0.20 1.08 -1.17 -3.16 115.11 112.31 1fjk h GLN 26 Ca 0.21 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1fjk h GLN 26 Cb 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 1fjk h GLN 26 CO -0.10 0.80 0.53 -0.97 -0.95 0.00 0.00 178.83 178.14 1fjk h ASN 27 N 0.15 0.88 -0.44 1.46 -1.24 0.04 -1.03 115.58 115.41 1fjk h ASN 27 Ca 0.04 -0.00 0.13 0.00 0.71 0.00 0.00 56.30 57.17 1fjk h ASN 27 Cb 0.70 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1fjk h ASN 27 CO 0.04 0.61 0.53 0.25 -1.29 0.00 0.00 177.43 177.57 1fjk h LEU 28 N 1.04 0.00 -2.02 0.34 5.85 -0.81 0.90 115.31 120.61 1fjk h LEU 28 Ca 0.33 0.00 0.14 0.00 0.84 0.00 0.00 57.88 59.20 1fjk h LEU 28 Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1fjk h LEU 28 CO -0.12 0.00 0.38 1.56 -0.34 0.00 0.00 178.44 179.92 1fjk h GLN 29 N 0.00 0.00 -0.09 1.25 4.20 -1.26 0.18 115.11 119.39 1fjk h GLN 29 Ca 0.21 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.93 1fjk h GLN 29 Cb 1.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1fjk h GLN 29 CO -0.00 0.00 0.06 -0.91 -0.67 0.00 0.00 178.83 177.31 1fjk h ASN 30 N 0.00 0.08 0.21 1.46 -0.26 -1.00 -1.01 115.58 115.05 1fjk h ASN 30 Ca 0.24 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.94 1fjk h ASN 30 Cb 0.99 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.23 1fjk h ASN 30 CO -0.00 0.05 -0.17 0.25 -1.06 0.00 0.00 177.43 176.51 1fjk h LEU 31 N 0.09 0.00 0.10 1.61 5.85 -1.14 -1.67 115.31 120.14 1fjk h LEU 31 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1fjk h LEU 31 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1fjk h LEU 31 CO -0.01 0.17 -0.05 0.15 -0.34 0.00 0.00 178.44 178.36 1fjk h PHE 32 N 0.00 -0.13 -0.62 1.25 3.57 -1.30 -2.68 116.94 117.02 1fjk h PHE 32 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1fjk h PHE 32 Cb 0.31 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1fjk h PHE 32 CO 0.00 0.39 0.25 0.97 -2.23 0.00 0.00 178.31 177.69 1fjk h ILE 33 N -0.82 1.22 0.38 1.41 -0.00 -1.48 -0.99 117.51 117.22 1fjk h ILE 33 Ca -0.01 -0.69 -0.02 0.00 -0.00 0.00 0.00 64.86 64.14 1fjk h ILE 33 Cb 0.57 0.47 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 1fjk h ILE 33 CO 0.02 0.28 -0.18 -1.13 -0.00 0.00 0.00 178.15 177.14 1fjk h ASN 34 N 0.90 -0.43 -0.41 2.19 -0.00 -1.38 0.13 115.58 116.58 1fjk h ASN 34 Ca 0.21 -0.08 0.01 0.00 -0.00 0.00 0.00 56.30 56.44 1fjk h ASN 34 Cb 0.17 0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 38.58 1fjk h ASN 34 CO -0.02 -0.17 0.25 0.15 -0.00 0.00 0.00 177.43 177.65 1fjk h PHE 35 N -0.68 0.48 -0.99 0.67 3.57 -1.37 -0.67 116.94 117.95 1fjk h PHE 35 Ca -0.05 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1fjk h PHE 35 Cb 0.49 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1fjk h PHE 35 CO -0.01 0.29 0.65 0.00 -2.23 0.00 0.00 178.31 177.01 1fjk h LEU 37 N 1.26 -0.49 -1.61 0.00 7.12 -0.22 -0.22 115.31 121.15 1fjk h LEU 37 Ca 0.39 -0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 1fjk h LEU 37 Cb -0.02 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1fjk h LEU 37 CO -0.11 -0.22 -0.14 -0.29 -0.13 0.00 0.00 178.44 177.54 1fjk h ILE 38 N -0.76 0.46 0.06 4.05 6.09 -0.82 -0.82 117.51 125.77 1fjk h ILE 38 Ca -0.06 -0.73 -0.24 0.00 -1.37 0.00 0.00 64.86 62.46 1fjk h ILE 38 Cb 0.53 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 1fjk h ILE 38 CO 0.10 0.14 -1.11 0.25 -3.07 0.00 0.00 178.15 174.46 1fjk h LEU 39 N 0.00 0.22 0.00 2.19 5.85 0.80 -3.04 115.31 121.33 1fjk h LEU 39 Ca -0.00 -0.23 -0.27 0.00 0.84 0.00 0.00 57.88 58.22 1fjk h LEU 39 Cb 0.50 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1fjk h LEU 39 CO 0.02 1.17 -2.04 -0.38 -0.34 0.00 0.00 178.44 176.87 1fjk n ILE 40 N -3.45 1.23 0.12 4.05 5.41 -0.12 -4.30 119.36 122.29 1fjk n ILE 40 Ca -0.04 -0.77 0.03 0.00 1.00 0.00 0.00 62.75 62.96 1fjk n ILE 40 Cb 0.97 -0.56 0.01 0.00 -0.71 0.00 0.00 39.64 39.35 1fjk n ILE 40 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1fjk h PHE 41 N 0.00 0.00 -0.00 1.39 -1.00 -1.30 -3.23 116.94 112.80 1fjk h PHE 41 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1fjk h PHE 41 Cb 1.93 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.49 1fjk h PHE 41 CO 0.00 0.46 0.01 1.37 -1.61 0.00 0.00 178.31 178.54 1fjk h LEU 42 N 0.00 0.00 0.11 1.54 8.10 -1.72 -1.90 115.31 121.45 1fjk h LEU 42 Ca -0.04 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.61 1fjk h LEU 42 Cb 1.38 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.59 1fjk h LEU 42 CO 0.05 0.00 -1.85 0.25 -4.11 0.00 0.00 178.44 172.78 1fjk h LEU 43 N 0.00 0.38 -0.32 0.17 5.85 -1.79 -3.37 115.31 116.23 1fjk h LEU 43 Ca 0.00 -0.75 -0.04 0.00 0.84 0.00 0.00 57.88 57.94 1fjk h LEU 43 Cb 0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1fjk h LEU 43 CO -0.00 1.66 0.05 -0.07 -0.34 0.00 0.00 178.44 179.74 1fjk h LEU 44 N 0.07 0.50 -2.24 2.25 3.38 -1.44 -2.53 115.31 115.29 1fjk h LEU 44 Ca -0.37 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.36 1fjk h LEU 44 Cb 2.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 1fjk h LEU 44 CO 0.11 0.63 0.26 0.16 0.09 0.00 0.00 178.44 179.69 1fjk h ILE 45 N 0.35 0.06 0.00 1.22 3.07 -1.59 0.89 117.51 121.50 1fjk h ILE 45 Ca 0.10 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.36 1fjk h ILE 45 Cb 0.34 0.75 -0.02 0.00 -0.27 0.00 0.00 36.82 37.63 1fjk h ILE 45 CO 0.01 0.00 -0.84 0.00 -1.05 0.00 0.00 178.15 176.27 1fjk h ILE 47 N 0.00 1.25 0.10 0.00 1.08 -0.82 -0.82 117.51 118.29 1fjk h ILE 47 Ca -0.05 -0.65 -0.26 0.00 -0.39 0.00 0.00 64.86 63.51 1fjk h ILE 47 Cb 1.54 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1fjk h ILE 47 CO 0.08 0.28 -1.17 0.16 -0.69 0.00 0.00 178.15 176.81 1fjk h ILE 48 N 1.13 1.48 -0.03 -0.67 3.07 -1.67 -3.18 117.51 117.64 1fjk h ILE 48 Ca 0.28 -2.94 -0.14 0.00 1.55 0.00 0.00 64.86 63.61 1fjk h ILE 48 Cb 0.07 2.83 -0.02 0.00 -0.27 0.00 0.00 36.82 39.44 1fjk h ILE 48 CO -0.04 0.86 -0.64 0.58 -1.05 0.00 0.00 178.15 177.86 1fjk h VAL 49 N 0.10 1.43 -0.00 0.16 2.07 -1.54 0.53 116.25 118.99 1fjk h VAL 49 Ca -0.12 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1fjk h VAL 49 Cb 1.88 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1fjk h VAL 49 CO 0.19 0.61 -0.03 0.23 0.02 0.00 0.00 177.57 178.59 1fjk n MET 50 N -3.82 0.99 -0.00 1.57 2.81 -0.33 -4.09 117.12 114.26 1fjk n MET 50 Ca -0.02 -0.27 -0.00 0.00 -1.81 0.00 0.00 57.70 55.60 1fjk n MET 50 Cb 0.64 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.65 1fjk n MET 50 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1fjk n LEU 51 N -0.76 2.62 0.00 4.03 4.77 -1.11 -5.08 117.00 121.48 1fjk n LEU 51 Ca 0.19 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1fjk n LEU 51 Cb 0.22 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1fjk n LEU 51 CO 0.20 0.44 0.19 0.18 -1.33 0.00 0.00 177.39 177.07