#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6l s ASN 2 N 0.00 0.21 0.02 7.83 -0.87 -1.26 -5.14 114.94 115.74 2k6l s ASN 2 Ca 0.00 -0.51 -0.20 0.00 -1.57 0.00 0.00 52.86 50.57 2k6l s ASN 2 Cb 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 41.25 41.34 2k6l s ASN 2 CO 0.00 -0.40 0.58 0.42 -2.57 0.00 0.00 177.10 175.13 2k6l s THR 3 N -2.04 4.85 0.06 1.60 -4.23 -1.26 -5.07 115.64 109.55 2k6l s THR 3 Ca -0.10 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 2k6l s THR 3 Cb -0.05 -3.92 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 2k6l s THR 3 CO -0.03 0.47 0.17 -0.69 -0.54 0.00 0.00 174.62 174.00 2k6l s VAL 4 N -0.51 5.11 -0.31 2.29 1.01 -1.26 -5.08 120.40 121.66 2k6l s VAL 4 Ca 0.30 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2k6l s VAL 4 Cb -0.19 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2k6l s VAL 4 CO 0.18 0.15 0.40 -0.13 0.00 0.00 0.00 175.10 175.69 2k6l s ARG 5 N -2.43 3.77 -0.29 2.72 0.52 -1.26 -5.05 118.95 116.93 2k6l s ARG 5 Ca 0.33 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.31 2k6l s ARG 5 Cb -0.13 -3.74 0.02 0.00 0.52 0.00 0.00 34.95 31.62 2k6l s ARG 5 CO 0.25 -0.44 0.06 -1.58 0.02 0.00 0.00 175.30 173.62 2k6l s TRP 6 N 2.12 3.15 -0.27 -0.53 0.52 -1.26 -5.07 118.94 117.60 2k6l s TRP 6 Ca 0.15 -1.13 -0.06 0.00 0.02 0.00 0.00 56.10 55.07 2k6l s TRP 6 Cb -0.16 -2.23 -0.00 0.00 -1.15 0.00 0.00 33.47 29.93 2k6l s TRP 6 CO 0.11 -0.62 0.05 1.21 0.02 0.00 0.00 176.95 177.72 2k6l s ASN 7 N 1.46 4.97 0.04 2.95 3.84 -1.26 -5.08 114.94 121.86 2k6l s ASN 7 Ca 0.02 -0.53 0.00 0.00 0.21 0.00 0.00 52.86 52.56 2k6l s ASN 7 Cb -0.17 -1.86 -0.03 0.00 -0.55 0.00 0.00 41.25 38.63 2k6l s ASN 7 CO 0.01 -0.12 -0.04 0.27 -2.79 0.00 0.00 177.10 174.43 2k6l s ILE 8 N 1.52 0.28 -0.17 -5.21 -4.36 -1.26 -5.14 121.20 106.86 2k6l s ILE 8 Ca 0.04 -1.43 -0.09 0.00 -0.26 0.00 0.00 60.65 58.91 2k6l s ILE 8 Cb -0.16 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.50 2k6l s ILE 8 CO 0.02 -0.74 0.12 0.00 0.24 0.00 0.00 174.94 174.57 2k6l s ALA 9 N -2.73 3.67 0.11 2.27 0.00 -1.26 -5.09 121.76 118.73 2k6l s ALA 9 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2k6l s ALA 9 Cb -0.01 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2k6l s ALA 9 CO -0.05 0.29 0.03 0.14 0.00 0.00 0.00 175.76 176.17 2k6l s VAL 10 N -0.01 0.18 0.17 0.00 -7.23 -1.26 -5.13 120.40 107.12 2k6l s VAL 10 Ca 0.09 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2k6l s VAL 10 Cb -0.11 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.82 2k6l s VAL 10 CO -0.00 -0.59 1.19 -0.94 -0.31 0.00 0.00 175.10 174.45 2k6l s SER 11 N -3.03 7.09 0.06 4.85 1.04 -1.26 -4.85 113.70 117.61 2k6l s SER 11 Ca 0.20 2.20 0.03 0.00 0.48 0.00 0.00 55.95 58.86 2k6l s SER 11 Cb 0.07 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.74 2k6l s SER 11 CO -0.01 -0.38 0.92 -0.81 0.98 0.00 0.00 173.24 173.95 2k6l n PRO 12 N 2.70 0.02 0.12 4.02 -0.04 -1.26 -0.43 135.00 140.13 2k6l n PRO 12 Ca 0.05 0.37 -0.02 0.00 -0.04 0.00 0.00 63.50 63.86 2k6l n PRO 12 Cb 0.45 -1.76 0.11 0.00 -0.04 0.00 0.00 33.50 32.26 2k6l n PRO 12 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k6l h ASP 13 N 0.00 0.00 0.65 3.54 3.58 -2.01 -3.16 116.42 119.01 2k6l h ASP 13 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2k6l h ASP 13 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2k6l h ASP 13 CO 0.00 0.69 -0.92 -0.37 -2.88 0.00 0.00 179.24 175.77 2k6l h VAL 14 N 0.00 1.52 -0.07 2.25 -1.51 -1.12 -3.16 116.25 114.17 2k6l h VAL 14 Ca -0.01 -2.75 -0.01 0.00 -1.23 0.00 0.00 66.70 62.70 2k6l h VAL 14 Cb 1.25 2.55 -0.00 0.00 -2.13 0.00 0.00 31.29 32.96 2k6l h VAL 14 CO 0.09 0.80 -0.00 -0.78 -1.23 0.00 0.00 177.57 176.45 2k6l h ASP 15 N 0.08 0.12 -0.72 4.19 1.82 -1.64 -1.01 116.42 119.27 2k6l h ASP 15 Ca -0.05 -0.32 0.07 0.00 -0.39 0.00 0.00 57.03 56.34 2k6l h ASP 15 Cb 1.57 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 41.50 2k6l h ASP 15 CO 0.14 0.41 0.47 1.56 -1.61 0.00 0.00 179.24 180.21 2k6l h GLN 16 N -0.17 0.72 -0.05 0.28 4.20 -1.64 -1.03 115.11 117.42 2k6l h GLN 16 Ca 0.02 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 2k6l h GLN 16 Cb 0.35 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2k6l h GLN 16 CO 0.00 0.48 -0.77 0.77 -0.67 0.00 0.00 178.83 178.65 2k6l h SER 17 N 0.74 0.39 -0.75 1.46 0.02 -1.48 -3.20 113.55 110.72 2k6l h SER 17 Ca 0.31 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k6l h SER 17 Cb 0.27 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2k6l h SER 17 CO -0.10 1.01 0.48 0.58 -1.14 0.00 0.00 176.83 177.66 2k6l h VAL 18 N 0.21 1.20 -0.46 2.27 2.07 0.14 -1.26 116.25 120.43 2k6l h VAL 18 Ca -0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2k6l h VAL 18 Cb 1.35 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2k6l h VAL 18 CO 0.13 0.21 0.30 0.03 0.02 0.00 0.00 177.57 178.25 2k6l h ARG 19 N 1.03 0.61 -0.70 1.57 3.08 -1.44 -1.27 114.38 117.26 2k6l h ARG 19 Ca 0.27 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2k6l h ARG 19 Cb -0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2k6l h ARG 19 CO -0.06 0.40 0.39 0.52 -1.07 0.00 0.00 179.97 180.16 2k6l h MET 20 N 0.62 0.97 0.05 0.04 2.86 -1.46 -1.77 114.93 116.24 2k6l h MET 20 Ca 0.17 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k6l h MET 20 Cb -0.07 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.40 2k6l h MET 20 CO -0.04 0.72 -0.03 0.35 1.06 0.00 0.00 176.91 178.97 2k6l h PHE 21 N 0.95 -0.07 -0.94 -0.22 3.04 -0.67 -2.73 116.94 116.30 2k6l h PHE 21 Ca 0.25 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 2k6l h PHE 21 Cb 0.02 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.51 2k6l h PHE 21 CO -0.01 -0.03 0.56 -0.84 -2.02 0.00 0.00 178.31 175.97 2k6l h ILE 22 N -0.08 1.26 -0.31 1.41 3.07 -1.07 -0.87 117.51 120.92 2k6l h ILE 22 Ca -0.01 -0.58 0.09 0.00 1.55 0.00 0.00 64.86 65.92 2k6l h ILE 22 Cb 0.06 -0.06 -0.01 0.00 -0.27 0.00 0.00 36.82 36.54 2k6l h ILE 22 CO 0.01 0.28 0.26 0.00 -1.05 0.00 0.00 178.15 177.64 2k6l h ALA 23 N 1.32 2.16 0.00 0.16 0.00 -1.04 0.62 119.26 122.48 2k6l h ALA 23 Ca 0.34 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 2k6l h ALA 23 Cb -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k6l h ALA 23 CO -0.06 -0.42 -0.81 0.00 0.00 0.00 0.00 179.25 177.96 2k6l h ALA 24 N 1.78 0.66 -0.02 0.00 0.00 -0.89 -3.14 119.26 117.65 2k6l h ALA 24 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k6l h ALA 24 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k6l h ALA 24 CO -0.00 1.00 -0.22 1.04 0.00 0.00 0.00 179.25 181.07 2k6l n GLN 25 N -3.59 1.58 -0.18 0.00 1.13 0.94 -5.01 117.38 112.25 2k6l n GLN 25 Ca -0.01 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 2k6l n GLN 25 Cb 0.78 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.65 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k6l n GLY 26 N 1.35 0.00 2.09 1.08 0.00 0.18 -4.89 105.19 105.00 2k6l n GLY 26 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2k6l n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6l n GLY 27 N 0.33 2.83 0.00 -0.02 0.00 -1.26 -5.10 105.19 101.97 2k6l n GLY 27 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2k6l n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6l n GLY 28 N 1.36 1.23 0.37 -0.02 0.00 -1.26 -4.90 105.19 101.97 2k6l n GLY 28 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k6l n GLY 28 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k6l h ARG 29 N 0.00 -0.03 -6.28 1.61 3.08 -2.04 -3.39 114.38 107.33 2k6l h ARG 29 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 2k6l h ARG 29 Cb 0.00 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 2k6l h ARG 29 CO 0.00 -0.02 -0.67 0.15 -1.07 0.00 0.00 179.97 178.36 2k6l s LYS 30 N -6.01 2.60 0.00 0.04 1.02 -1.26 -4.83 119.74 111.31 2k6l s LYS 30 Ca -0.14 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2k6l s LYS 30 Cb 0.20 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 2k6l s LYS 30 CO 0.72 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 176.14 2k6l n GLY 31 N 1.13 -0.40 0.00 -3.33 0.00 -1.26 -4.53 105.19 96.80 2k6l n GLY 31 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k6l n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6l n ASP 32 N 0.00 0.00 -0.02 1.61 5.68 -1.26 -4.80 116.55 117.75 2k6l n ASP 32 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2k6l n ASP 32 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 2k6l n ASP 32 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k6l h LEU 33 N 0.00 -0.03 -0.89 -2.12 4.07 -2.00 -2.78 115.31 111.56 2k6l h LEU 33 Ca 0.00 -0.64 0.10 0.00 0.08 0.00 0.00 57.88 57.42 2k6l h LEU 33 Cb 0.00 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 2k6l h LEU 33 CO 0.00 0.65 0.53 0.77 -1.08 0.00 0.00 178.44 179.31 2k6l h SER 34 N -0.73 0.76 -0.23 -0.43 4.64 -2.00 -2.07 113.55 113.48 2k6l h SER 34 Ca -0.00 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 2k6l h SER 34 Cb 0.67 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2k6l h SER 34 CO 0.01 0.42 -0.43 -0.09 -0.87 0.00 0.00 176.83 175.86 2k6l h ARG 35 N 0.86 0.79 -0.33 4.77 2.43 -1.93 -1.49 114.38 119.48 2k6l h ARG 35 Ca 0.43 -0.43 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2k6l h ARG 35 Cb 0.41 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2k6l h ARG 35 CO -0.26 1.06 0.04 0.35 -1.51 0.00 0.00 179.97 179.66 2k6l h PHE 36 N 0.64 0.06 -0.03 2.20 3.57 -1.08 -1.51 116.94 120.79 2k6l h PHE 36 Ca 0.04 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.34 2k6l h PHE 36 Cb 1.00 0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.77 2k6l h PHE 36 CO 0.06 -0.01 -0.91 0.97 -2.23 0.00 0.00 178.31 176.19 2k6l h ILE 37 N 0.15 1.36 -0.33 1.41 2.10 -1.51 -2.88 117.51 117.81 2k6l h ILE 37 Ca 0.16 -2.31 0.04 0.00 1.08 0.00 0.00 64.86 63.83 2k6l h ILE 37 Cb 0.19 2.31 -0.04 0.00 -1.09 0.00 0.00 36.82 38.19 2k6l h ILE 37 CO -0.22 0.70 0.10 -0.08 -1.08 0.00 0.00 178.15 177.57 2k6l h GLU 38 N 0.30 0.23 -0.03 2.19 4.81 -0.87 -0.96 114.58 120.27 2k6l h GLU 38 Ca -0.08 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.03 2k6l h GLU 38 Cb 1.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 2k6l h GLU 38 CO 0.16 0.15 -0.50 0.22 -0.73 0.00 0.00 179.01 178.32 2k6l h ASP 39 N 0.24 0.07 -0.22 1.04 3.58 -1.36 -2.96 116.42 116.81 2k6l h ASP 39 Ca 0.15 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 2k6l h ASP 39 Cb 0.13 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2k6l h ASP 39 CO -0.16 0.56 -0.03 0.00 -2.88 0.00 0.00 179.24 176.73 2k6l h ALA 40 N 1.44 0.31 -0.33 -0.78 0.00 -1.11 -2.93 119.26 115.85 2k6l h ALA 40 Ca -0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2k6l h ALA 40 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k6l h ALA 40 CO 0.07 0.07 -0.15 -0.39 0.00 0.00 0.00 179.25 178.84 2k6l h VAL 41 N 0.16 1.25 -0.60 0.00 -1.51 -1.19 -2.93 116.25 111.42 2k6l h VAL 41 Ca 0.06 -1.14 -0.02 0.00 -1.23 0.00 0.00 66.70 64.37 2k6l h VAL 41 Cb 0.47 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 2k6l h VAL 41 CO 0.02 0.38 0.30 0.03 -1.23 0.00 0.00 177.57 177.06 2k6l h ARG 42 N 0.54 0.87 -0.62 5.19 2.47 -1.46 -1.09 114.38 120.27 2k6l h ARG 42 Ca 0.09 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 2k6l h ARG 42 Cb 0.57 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2k6l h ARG 42 CO 0.04 0.69 0.15 0.00 0.56 0.00 0.00 179.97 181.41 2k6l h ALA 43 N 1.13 1.10 -0.09 0.04 0.00 -1.38 -2.60 119.26 117.46 2k6l h ALA 43 Ca 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k6l h ALA 43 Cb 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2k6l h ALA 43 CO -0.03 0.60 -0.10 1.88 0.00 0.00 0.00 179.25 181.60 2k6l h TYR 44 N 0.92 0.27 -0.77 0.00 -1.99 -1.31 -3.04 116.97 111.05 2k6l h TYR 44 Ca 0.20 -0.09 0.08 0.00 2.00 0.00 0.00 58.73 60.93 2k6l h TYR 44 Cb 0.33 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.95 2k6l h TYR 44 CO 0.02 0.67 0.51 -0.07 -0.00 0.00 0.00 178.16 179.29 2k6l h LEU 45 N -0.20 0.67 -0.48 3.88 3.38 -1.13 -1.91 115.31 119.52 2k6l h LEU 45 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k6l h LEU 45 Cb 0.63 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2k6l h LEU 45 CO 0.02 0.41 0.01 2.19 0.09 0.00 0.00 178.44 181.16 2k6l h PHE 46 N 0.75 0.92 -0.77 1.13 -5.15 -1.44 -2.28 116.94 110.10 2k6l h PHE 46 Ca 0.35 -0.16 0.07 0.00 -0.20 0.00 0.00 57.97 58.03 2k6l h PHE 46 Cb 0.37 -0.24 -0.06 0.00 0.22 0.00 0.00 35.95 36.24 2k6l h PHE 46 CO -0.00 0.87 0.45 1.49 -2.00 0.00 0.00 178.31 179.12 2k6l h GLU 47 N 0.70 0.79 0.00 6.09 4.81 -1.23 -0.80 114.58 124.93 2k6l h GLU 47 Ca 0.14 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2k6l h GLU 47 Cb 0.50 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2k6l h GLU 47 CO 0.02 0.52 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.58 2k6l h ARG 48 N 0.81 0.00 -0.13 1.92 2.43 -1.36 -2.95 114.38 115.10 2k6l h ARG 48 Ca 0.34 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2k6l h ARG 48 Cb 0.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2k6l h ARG 48 CO -0.19 0.15 0.06 0.00 -1.51 0.00 0.00 179.97 178.48 2k6l h ALA 49 N 1.85 0.17 -0.13 2.80 0.00 -0.55 -3.17 119.26 120.24 2k6l h ALA 49 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2k6l h ALA 49 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k6l h ALA 49 CO 0.02 -0.25 -0.38 0.28 0.00 0.00 0.00 179.25 178.92 2k6l h VAL 50 N 0.06 1.37 0.00 0.00 2.07 -1.54 -3.52 116.25 114.69 2k6l h VAL 50 Ca 0.04 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2k6l h VAL 50 Cb 0.16 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2k6l h VAL 50 CO -0.00 0.50 0.00 1.21 0.02 0.00 0.00 177.57 179.30