#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc6 n PRO 2 N 0.00 0.98 0.10 -0.53 -0.04 -1.26 -0.88 135.00 133.37 2kc6 n PRO 2 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2kc6 n PRO 2 Cb 0.00 -1.28 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 2kc6 n PRO 2 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kc6 h GLU 3 N 0.01 0.46 -0.24 0.54 4.81 -2.01 -3.43 114.58 114.73 2kc6 h GLU 3 Ca 0.00 -0.79 -0.12 0.00 -0.13 0.00 0.00 59.36 58.33 2kc6 h GLU 3 Cb 0.28 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2kc6 h GLU 3 CO 0.00 1.38 -0.35 0.22 -0.73 0.00 0.00 179.01 179.53 2kc6 h ASP 4 N 0.11 0.54 -0.22 1.04 3.58 -1.46 -3.12 116.42 116.90 2kc6 h ASP 4 Ca -0.31 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2kc6 h ASP 4 Cb 2.12 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 43.02 2kc6 h ASP 4 CO 0.22 0.85 0.00 0.79 -2.88 0.00 0.00 179.24 178.22 2kc6 n TRP 5 N -4.06 0.28 -2.46 0.28 8.01 -1.21 -4.94 117.44 113.34 2kc6 n TRP 5 Ca -0.01 -0.14 -0.42 0.00 -1.31 0.00 0.00 57.50 55.62 2kc6 n TRP 5 Cb 0.48 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.74 2kc6 n TRP 5 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 2kc6 s PHE 6 N -1.72 3.49 -0.68 -5.99 5.36 -1.18 -0.91 117.98 116.35 2kc6 s PHE 6 Ca 0.31 1.42 0.05 0.00 -0.96 0.00 0.00 56.93 57.75 2kc6 s PHE 6 Cb 0.17 -3.36 0.20 0.00 -0.34 0.00 0.00 43.02 39.68 2kc6 s PHE 6 CO 0.25 -1.00 0.58 0.25 -1.46 0.00 0.00 175.22 173.83 2kc6 n THR 7 N 3.40 1.84 0.19 0.12 -2.24 -0.69 -4.85 114.28 112.05 2kc6 n THR 7 Ca 0.07 -4.97 0.12 0.00 -2.27 0.00 0.00 64.05 57.00 2kc6 n THR 7 Cb 0.47 -2.15 0.65 0.00 -2.10 0.00 0.00 70.33 67.19 2kc6 n THR 7 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kc6 h PRO 8 N 4.99 0.00 -0.07 -0.78 0.13 -1.84 -2.42 132.00 132.01 2kc6 h PRO 8 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 2kc6 h PRO 8 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kc6 h PRO 8 CO 0.75 0.00 0.19 -0.44 -0.23 0.00 0.00 178.00 178.28 2kc6 h ASP 9 N 0.00 0.00 0.00 1.44 3.32 -1.95 -3.11 116.42 116.13 2kc6 h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kc6 h ASP 9 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2kc6 h ASP 9 CO 0.00 0.00 0.00 1.07 -1.72 0.00 0.00 179.24 178.59 2kc6 n THR 10 N -3.28 0.00 -3.19 0.35 5.66 -0.94 -5.03 114.28 107.85 2kc6 n THR 10 Ca -0.01 -0.17 -0.39 0.00 -3.05 0.00 0.00 64.05 60.43 2kc6 n THR 10 Cb 0.28 1.04 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 2kc6 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kc6 n ALA 12 N 4.41 2.96 -2.72 0.00 0.00 -1.26 -4.70 120.51 119.20 2kc6 n ALA 12 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 2kc6 n ALA 12 Cb 0.51 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 2kc6 n ALA 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kc6 s TYR 13 N 0.04 1.08 -1.06 0.00 1.51 -1.26 -5.06 117.35 112.59 2kc6 s TYR 13 Ca 0.00 -0.42 0.19 0.00 -1.01 0.00 0.00 57.07 55.82 2kc6 s TYR 13 Cb 0.00 -0.62 -0.16 0.00 -0.11 0.00 0.00 41.96 41.07 2kc6 s TYR 13 CO 0.00 0.02 0.82 0.41 -1.11 0.00 0.00 175.55 175.69 2kc6 n GLY 14 N 1.56 -0.58 3.17 0.71 0.00 -1.26 -4.84 105.19 103.95 2kc6 n GLY 14 Ca -0.20 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 2kc6 n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc6 s ASP 15 N -2.62 3.03 0.57 1.61 1.11 -1.26 -4.99 116.67 114.11 2kc6 s ASP 15 Ca 0.09 -0.57 0.25 0.00 0.18 0.00 0.00 52.55 52.50 2kc6 s ASP 15 Cb 0.14 -1.40 1.65 0.00 1.07 0.00 0.00 42.92 44.39 2kc6 s ASP 15 CO 0.70 0.10 2.22 0.77 1.18 0.00 0.00 175.17 180.14 2kc6 h SER 16 N 7.13 0.00 0.36 0.27 4.64 -1.91 0.92 113.55 124.96 2kc6 h SER 16 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2kc6 h SER 16 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2kc6 h SER 16 CO 0.52 0.00 -0.17 0.78 -0.87 0.00 0.00 176.83 177.09 2kc6 h ASN 17 N 0.00 -0.40 -0.76 4.97 2.35 -1.94 -0.32 115.58 119.47 2kc6 h ASN 17 Ca 0.00 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2kc6 h ASN 17 Cb 0.01 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 2kc6 h ASN 17 CO -0.00 -0.13 0.50 0.74 -1.65 0.00 0.00 177.43 176.89 2kc6 h THR 18 N -0.80 0.94 0.47 2.81 2.02 -1.92 -0.02 112.91 116.40 2kc6 h THR 18 Ca -0.05 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2kc6 h THR 18 Cb 0.37 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2kc6 h THR 18 CO 0.08 0.12 -0.22 0.00 0.37 0.00 0.00 175.52 175.87 2kc6 h ALA 19 N 1.62 -1.10 -0.63 6.16 0.00 -0.86 -0.35 119.26 124.10 2kc6 h ALA 19 Ca 0.35 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2kc6 h ALA 19 Cb 0.47 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2kc6 h ALA 19 CO -0.13 -1.05 0.04 2.35 0.00 0.00 0.00 179.25 180.46 2kc6 h TRP 20 N -0.66 0.04 -0.51 0.00 2.91 -0.67 -0.27 115.95 116.78 2kc6 h TRP 20 Ca -0.06 0.04 -0.10 0.00 1.13 0.00 0.00 58.89 59.90 2kc6 h TRP 20 Cb 0.48 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 29.19 2kc6 h TRP 20 CO 0.11 -0.14 -0.07 1.15 -1.03 0.00 0.00 178.44 178.46 2kc6 h THR 21 N 0.16 1.26 0.18 2.65 2.02 -1.03 0.28 112.91 118.42 2kc6 h THR 21 Ca 0.33 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.36 2kc6 h THR 21 Cb 0.54 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2kc6 h THR 21 CO -0.51 0.41 -0.23 0.74 0.37 0.00 0.00 175.52 176.29 2kc6 h THR 22 N 0.82 0.49 0.00 3.16 2.02 0.12 -2.01 112.91 117.51 2kc6 h THR 22 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2kc6 h THR 22 Cb 0.58 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2kc6 h THR 22 CO 0.04 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.93 2kc6 n THR 24 N -2.85 1.36 -4.20 0.00 -2.24 -0.00 -1.90 114.28 104.44 2kc6 n THR 24 Ca -0.02 -1.21 -0.15 0.00 -2.27 0.00 0.00 64.05 60.40 2kc6 n THR 24 Cb 0.09 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.51 2kc6 n THR 24 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2kc6 s THR 25 N -1.48 1.05 -0.01 4.28 -4.23 -0.62 -3.81 115.64 110.82 2kc6 s THR 25 Ca 0.31 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.79 2kc6 s THR 25 Cb 0.19 -1.48 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 2kc6 s THR 25 CO 0.16 -0.57 1.63 -2.16 -0.54 0.00 0.00 174.62 173.14 2kc6 s PRO 26 N -2.95 4.20 0.00 3.99 0.04 -1.26 -4.11 135.00 134.90 2kc6 s PRO 26 Ca 0.08 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2kc6 s PRO 26 Cb -0.02 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2kc6 s PRO 26 CO 0.01 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2kc6 n GLY 27 N 4.05 5.17 0.08 0.56 0.00 -1.26 -4.99 105.19 108.80 2kc6 n GLY 27 Ca 0.16 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.60 2kc6 n GLY 27 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2kc6 h GLN 28 N 0.00 0.00 -1.47 1.61 -0.00 -1.95 -3.44 115.11 109.86 2kc6 h GLN 28 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 2kc6 h GLN 28 Cb 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 27.48 27.24 2kc6 h GLN 28 CO 0.00 0.00 -0.64 0.95 -0.00 0.00 0.00 178.83 179.14 2kc6 s THR 29 N -3.16 -0.57 0.00 1.86 -4.23 -1.26 -5.03 115.64 103.26 2kc6 s THR 29 Ca 0.07 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2kc6 s THR 29 Cb 0.13 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.56 2kc6 s THR 29 CO 0.69 -0.40 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 2kc6 n TYR 31 N 0.00 0.39 -0.06 0.00 4.19 -0.80 0.15 117.16 121.04 2kc6 n TYR 31 Ca 0.00 0.57 -0.03 0.00 3.31 0.00 0.00 57.90 61.75 2kc6 n TYR 31 Cb 0.00 -0.91 0.21 0.00 0.49 0.00 0.00 39.34 39.12 2kc6 n TYR 31 CO 0.00 0.00 0.00 1.15 0.91 0.00 0.00 176.86 178.92 2kc6 h THR 32 N 0.00 1.23 -0.65 2.97 2.02 -1.86 -2.36 112.91 114.27 2kc6 h THR 32 Ca 0.33 -0.98 0.10 0.00 0.77 0.00 0.00 66.41 66.63 2kc6 h THR 32 Cb 0.76 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 2kc6 h THR 32 CO -0.42 0.34 0.43 0.00 0.37 0.00 0.00 175.52 176.24 2kc6 h SER 35 N 0.53 0.65 -0.56 0.00 0.87 -1.08 -3.28 113.55 110.68 2kc6 h SER 35 Ca 0.56 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2kc6 h SER 35 Cb 1.20 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2kc6 h SER 35 CO -0.31 1.49 0.00 -1.20 -0.53 0.00 0.00 176.83 176.28 2kc6 n SER 36 N -3.98 4.26 0.00 6.23 7.64 -0.32 -4.20 113.62 123.24 2kc6 n SER 36 Ca -0.14 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2kc6 n SER 36 Cb 0.90 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2kc6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kc6 s PHE 38 N 0.00 0.41 0.98 0.00 0.40 -1.24 -1.70 117.98 116.83 2kc6 s PHE 38 Ca 0.00 -0.68 -0.11 0.00 -0.60 0.00 0.00 56.93 55.55 2kc6 s PHE 38 Cb 0.00 -0.28 0.18 0.00 0.51 0.00 0.00 43.02 43.43 2kc6 s PHE 38 CO 0.00 -0.22 1.11 -0.25 0.70 0.00 0.00 175.22 176.56 2kc6 n ASP 39 N 1.13 -0.16 -0.46 1.36 8.00 -0.09 -4.52 116.55 121.82 2kc6 n ASP 39 Ca -0.21 0.29 0.38 0.00 0.71 0.00 0.00 54.79 55.95 2kc6 n ASP 39 Cb 0.57 -1.43 0.68 0.00 -0.02 0.00 0.00 41.12 40.92 2kc6 n ASP 39 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2kc6 h VAL 40 N -2.09 0.20 -0.14 2.53 3.04 -1.91 0.34 116.25 118.23 2kc6 h VAL 40 Ca -0.47 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.13 2kc6 h VAL 40 Cb 1.28 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 2kc6 h VAL 40 CO 0.43 0.02 -0.10 0.58 -1.01 0.00 0.00 177.57 177.48 2kc6 h VAL 41 N 0.10 1.34 -0.04 1.51 2.07 -1.94 -2.81 116.25 116.48 2kc6 h VAL 41 Ca 0.77 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.93 2kc6 h VAL 41 Cb 2.60 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 34.19 2kc6 h VAL 41 CO -0.26 0.35 -0.65 1.23 0.02 0.00 0.00 177.57 178.25 2kc6 h GLY 42 N -0.05 0.17 0.39 2.17 0.00 -1.13 -3.07 103.07 101.57 2kc6 h GLY 42 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2kc6 h GLY 42 CO 0.03 0.21 -0.45 -2.09 0.00 0.00 0.00 176.54 174.23 2kc6 h GLU 43 N 0.11 -0.83 -0.86 4.80 4.81 -0.42 0.13 114.58 122.33 2kc6 h GLU 43 Ca -0.01 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2kc6 h GLU 43 Cb 1.17 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.70 2kc6 h GLU 43 CO 0.10 -0.55 0.42 0.37 -0.73 0.00 0.00 179.01 178.62 2kc6 h GLN 44 N -0.86 1.24 -0.13 1.92 4.15 -1.57 0.41 115.11 120.27 2kc6 h GLN 44 Ca -0.05 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.13 2kc6 h GLN 44 Cb 0.76 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2kc6 h GLN 44 CO -0.09 0.94 -0.20 0.00 -1.93 0.00 0.00 178.83 177.55 2kc6 h ALA 45 N 1.23 1.42 0.00 3.38 0.00 -1.40 -1.03 119.26 122.87 2kc6 h ALA 45 Ca 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kc6 h ALA 45 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kc6 h ALA 45 CO -0.04 0.41 -0.00 0.00 0.00 0.00 0.00 179.25 179.62 2kc6 h GLN 47 N -1.00 0.00 0.00 0.00 4.20 -0.16 0.34 115.11 118.50 2kc6 h GLN 47 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kc6 h GLN 47 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2kc6 h GLN 47 CO 0.00 0.00 -0.60 0.00 -0.67 0.00 0.00 178.83 177.56 2kc6 n MET 48 N -3.02 0.07 0.00 1.46 0.00 -0.40 -4.14 117.12 111.10 2kc6 n MET 48 Ca -0.02 0.01 0.05 0.00 0.00 0.00 0.00 57.70 57.74 2kc6 n MET 48 Cb 0.26 -1.54 0.04 0.00 0.00 0.00 0.00 33.22 31.98 2kc6 n MET 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2kc6 n SER 49 N -1.64 1.76 -4.40 3.17 2.88 0.95 -5.00 113.62 111.34 2kc6 n SER 49 Ca 0.05 -1.38 -0.43 0.00 -1.33 0.00 0.00 58.87 55.78 2kc6 n SER 49 Cb 0.36 0.02 -0.10 0.00 -0.75 0.00 0.00 64.21 63.74 2kc6 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kc6 s ALA 50 N -0.80 3.44 -0.38 -1.46 0.00 0.23 -4.84 121.76 117.95 2kc6 s ALA 50 Ca 0.11 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.20 2kc6 s ALA 50 Cb 0.08 -2.85 0.12 0.00 0.00 0.00 0.00 23.12 20.47 2kc6 s ALA 50 CO 0.12 -1.54 0.18 -0.65 0.00 0.00 0.00 175.76 173.87 2kc6 s GLN 51 N 1.61 0.97 0.00 0.00 -0.21 -1.25 -4.76 119.66 116.02 2kc6 s GLN 51 Ca 0.04 -1.56 0.30 0.00 0.02 0.00 0.00 55.36 54.16 2kc6 s GLN 51 Cb -0.21 -2.07 1.50 0.00 1.00 0.00 0.00 33.01 33.23 2kc6 s GLN 51 CO 0.07 -1.10 2.00 0.00 -2.12 0.00 0.00 175.29 174.14