#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 4.58 0.38 6.12 2.20 -1.26 -5.09 114.94 121.88 2k6l s ASN 2 Ca 0.00 -0.71 -0.25 0.00 -0.94 0.00 0.00 52.86 50.96 2k6l s ASN 2 Cb 0.00 -1.75 -0.09 0.00 -2.00 0.00 0.00 41.25 37.41 2k6l s ASN 2 CO 0.00 -0.12 1.05 0.42 -2.94 0.00 0.00 177.10 175.51 2k6l s THR 3 N 1.42 3.69 0.05 0.54 -4.23 -1.26 -5.04 115.64 110.81 2k6l s THR 3 Ca 0.02 1.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.86 2k6l s THR 3 Cb -0.16 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 2k6l s THR 3 CO -0.02 0.05 0.22 -0.69 -0.54 0.00 0.00 174.62 173.64 2k6l s VAL 4 N -1.60 5.38 -0.16 2.29 1.01 -1.26 -5.09 120.40 120.97 2k6l s VAL 4 Ca 0.56 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 2k6l s VAL 4 Cb -0.23 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2k6l s VAL 4 CO 0.29 0.18 0.09 -0.60 0.00 0.00 0.00 175.10 175.06 2k6l s ARG 5 N -2.39 3.75 -0.17 2.72 3.52 -1.26 -5.08 118.95 120.04 2k6l s ARG 5 Ca 0.34 -0.27 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2k6l s ARG 5 Cb -0.13 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.11 2k6l s ARG 5 CO 0.26 0.47 -0.03 -1.58 -0.81 0.00 0.00 175.30 173.61 2k6l s TRP 6 N -0.17 1.52 -0.23 5.12 0.52 -1.26 -5.11 118.94 119.33 2k6l s TRP 6 Ca 0.09 -1.02 -0.06 0.00 0.02 0.00 0.00 56.10 55.13 2k6l s TRP 6 Cb -0.12 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 2k6l s TRP 6 CO 0.01 -0.60 0.04 0.54 0.02 0.00 0.00 176.95 176.96 2k6l s ASN 7 N 1.69 5.03 0.17 2.95 2.20 -1.26 -5.09 114.94 120.64 2k6l s ASN 7 Ca 0.00 -0.19 -0.01 0.00 -0.94 0.00 0.00 52.86 51.73 2k6l s ASN 7 Cb -0.16 -1.89 -0.04 0.00 -2.00 0.00 0.00 41.25 37.17 2k6l s ASN 7 CO -0.07 0.02 0.08 0.27 -2.94 0.00 0.00 177.10 174.46 2k6l s ILE 8 N 1.29 0.15 -0.29 0.54 -4.36 -1.26 -5.13 121.20 112.15 2k6l s ILE 8 Ca 0.04 -1.96 -0.14 0.00 -0.26 0.00 0.00 60.65 58.33 2k6l s ILE 8 Cb -0.15 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 2k6l s ILE 8 CO 0.02 -0.26 0.34 0.00 0.24 0.00 0.00 174.94 175.29 2k6l s ALA 9 N -4.03 3.54 0.14 2.27 0.00 -1.26 -5.06 121.76 117.36 2k6l s ALA 9 Ca 0.31 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 2k6l s ALA 9 Cb 0.07 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2k6l s ALA 9 CO 0.07 -0.73 0.04 0.14 0.00 0.00 0.00 175.76 175.28 2k6l s VAL 10 N 2.01 0.23 0.39 0.00 -7.23 -1.26 -5.14 120.40 109.40 2k6l s VAL 10 Ca 0.13 -1.92 -0.24 0.00 -1.81 0.00 0.00 61.98 58.13 2k6l s VAL 10 Cb -0.16 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 2k6l s VAL 10 CO 0.11 -0.48 1.03 -0.55 -0.31 0.00 0.00 175.10 174.89 2k6l s SER 11 N -3.07 6.87 0.00 4.85 0.15 -1.26 -4.89 113.70 116.35 2k6l s SER 11 Ca 0.24 1.99 0.08 0.00 0.70 0.00 0.00 55.95 58.96 2k6l s SER 11 Cb 0.07 -2.58 0.36 0.00 -1.71 0.00 0.00 66.02 62.16 2k6l s SER 11 CO 0.02 -0.41 1.25 -0.81 1.20 0.00 0.00 173.24 174.49 2k6l n PRO 12 N 0.02 0.01 0.20 5.44 -0.04 -1.26 -1.61 135.00 137.77 2k6l n PRO 12 Ca 0.04 0.34 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 2k6l n PRO 12 Cb 0.50 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.82 2k6l n PRO 12 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k6l h ASP 13 N 0.00 0.00 0.55 3.54 5.19 -2.02 -3.01 116.42 120.67 2k6l h ASP 13 Ca 0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2k6l h ASP 13 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2k6l h ASP 13 CO 0.00 0.32 -0.74 -0.37 -3.12 0.00 0.00 179.24 175.34 2k6l h VAL 14 N 0.00 1.46 -0.09 -1.35 -1.51 -1.69 -3.05 116.25 110.03 2k6l h VAL 14 Ca -0.00 -2.36 -0.01 0.00 -1.23 0.00 0.00 66.70 63.10 2k6l h VAL 14 Cb 0.86 2.27 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2k6l h VAL 14 CO 0.04 0.69 0.02 -0.78 -1.23 0.00 0.00 177.57 176.30 2k6l h ASP 15 N 0.10 0.14 -0.70 4.19 3.58 -1.67 -1.28 116.42 120.79 2k6l h ASP 15 Ca -0.02 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2k6l h ASP 15 Cb 1.30 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 2k6l h ASP 15 CO 0.11 0.36 0.45 -0.61 -2.88 0.00 0.00 179.24 176.67 2k6l h GLN 16 N -0.08 0.93 -0.61 0.28 4.15 -1.62 -2.33 115.11 115.84 2k6l h GLN 16 Ca 0.03 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 2k6l h GLN 16 Cb 0.28 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2k6l h GLN 16 CO 0.00 0.63 0.16 0.77 -1.93 0.00 0.00 178.83 178.46 2k6l h SER 17 N 0.95 0.91 -0.90 -0.69 0.02 -1.44 -2.73 113.55 109.67 2k6l h SER 17 Ca 0.25 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2k6l h SER 17 Cb -0.09 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.17 2k6l h SER 17 CO -0.05 0.89 0.59 0.58 -1.14 0.00 0.00 176.83 177.71 2k6l h VAL 18 N 0.88 1.22 -0.44 2.27 2.07 -0.84 -1.26 116.25 120.14 2k6l h VAL 18 Ca 0.19 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 2k6l h VAL 18 Cb 0.33 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2k6l h VAL 18 CO -0.00 0.22 0.15 -0.09 0.02 0.00 0.00 177.57 177.87 2k6l h ARG 19 N 1.20 0.67 -0.58 1.57 2.43 -1.14 -2.52 114.38 116.02 2k6l h ARG 19 Ca 0.33 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2k6l h ARG 19 Cb -0.11 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2k6l h ARG 19 CO -0.08 0.64 0.20 0.52 -1.51 0.00 0.00 179.97 179.75 2k6l h MET 20 N 0.57 0.88 -0.03 0.20 2.86 -1.15 -2.56 114.93 115.70 2k6l h MET 20 Ca 0.14 -0.18 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2k6l h MET 20 Cb 0.24 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2k6l h MET 20 CO -0.01 0.78 -0.08 0.35 1.06 0.00 0.00 176.91 179.02 2k6l h PHE 21 N 0.81 -0.19 -0.59 -0.22 3.04 -1.03 -2.33 116.94 116.42 2k6l h PHE 21 Ca 0.19 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 2k6l h PHE 21 Cb 0.25 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 2k6l h PHE 21 CO 0.01 -0.12 0.30 -0.84 -2.02 0.00 0.00 178.31 175.65 2k6l h ILE 22 N -0.12 1.19 -0.30 1.41 3.07 -1.40 -1.14 117.51 120.21 2k6l h ILE 22 Ca 0.04 -0.49 0.07 0.00 1.55 0.00 0.00 64.86 66.03 2k6l h ILE 22 Cb 0.18 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.12 2k6l h ILE 22 CO -0.10 0.21 0.21 0.00 -1.05 0.00 0.00 178.15 177.42 2k6l h ALA 23 N 1.51 2.19 -0.00 0.16 0.00 -1.00 0.74 119.26 122.86 2k6l h ALA 23 Ca 0.21 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2k6l h ALA 23 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k6l h ALA 23 CO -0.03 -0.27 -0.85 0.00 0.00 0.00 0.00 179.25 178.10 2k6l h ALA 24 N 1.85 0.56 -0.02 0.00 0.00 -0.93 -3.05 119.26 117.68 2k6l h ALA 24 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k6l h ALA 24 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2k6l h ALA 24 CO -0.01 0.91 0.00 0.94 0.00 0.00 0.00 179.25 181.09 2k6l n GLN 25 N -3.66 1.55 0.00 0.00 -0.06 0.06 -4.94 117.38 110.32 2k6l n GLN 25 Ca -0.03 -0.81 0.00 0.00 -2.00 0.00 0.00 57.00 54.16 2k6l n GLN 25 Cb 0.79 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.49 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k6l n GLY 26 N 1.14 0.16 0.00 1.69 0.00 -0.07 -5.07 105.19 103.04 2k6l n GLY 26 Ca 0.20 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.00 0.00 1.99 -0.02 0.00 -1.25 -4.77 105.19 101.14 2k6l n GLY 27 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 2.34 0.20 -0.02 0.00 -1.26 -5.03 105.19 101.41 2k6l n GLY 28 Ca 0.00 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.66 2k6l n GLY 28 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k6l h ARG 29 N 0.00 0.00 -6.19 1.61 2.43 -2.02 -3.45 114.38 106.76 2k6l h ARG 29 Ca -0.16 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.29 2k6l h ARG 29 Cb 0.69 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.28 2k6l h ARG 29 CO 0.22 0.20 0.57 1.63 -1.51 0.00 0.00 179.97 181.08 2k6l n LYS 30 N -3.19 0.97 -0.17 0.20 5.02 -1.26 -4.42 118.16 115.32 2k6l n LYS 30 Ca 0.02 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2k6l n LYS 30 Cb 0.56 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k6l n GLY 31 N 3.02 -3.23 0.00 0.72 0.00 -1.26 -4.99 105.19 99.46 2k6l n GLY 31 Ca 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.85 1.61 -0.08 1.61 5.68 -1.26 -4.99 116.55 118.26 2k6l n ASP 32 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 2k6l n ASP 32 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 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 0.77 -1.53 -2.12 4.07 -1.97 -2.87 115.31 111.66 2k6l h LEU 33 Ca 0.00 -0.29 0.14 0.00 0.08 0.00 0.00 57.88 57.81 2k6l h LEU 33 Cb 0.00 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 2k6l h LEU 33 CO 0.00 0.99 0.50 0.77 -1.08 0.00 0.00 178.44 179.62 2k6l h SER 34 N 0.66 0.45 -0.35 -0.43 4.64 -2.00 -0.85 113.55 115.66 2k6l h SER 34 Ca 0.09 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 2k6l h SER 34 Cb 0.76 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2k6l h SER 34 CO 0.06 0.24 -0.42 -0.09 -0.87 0.00 0.00 176.83 175.75 2k6l h ARG 35 N 0.48 0.91 -0.35 4.77 2.43 -1.89 -1.68 114.38 119.05 2k6l h ARG 35 Ca 0.37 -0.50 0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2k6l h ARG 35 Cb 0.76 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 2k6l h ARG 35 CO -0.13 1.15 0.09 0.35 -1.51 0.00 0.00 179.97 179.92 2k6l h PHE 36 N 0.74 0.16 -0.16 2.20 3.57 -1.15 -1.61 116.94 120.69 2k6l h PHE 36 Ca 0.05 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 2k6l h PHE 36 Cb 1.01 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2k6l h PHE 36 CO 0.06 0.05 -0.72 0.97 -2.23 0.00 0.00 178.31 176.45 2k6l h ILE 37 N 0.22 1.30 -0.27 1.41 2.10 -1.50 -2.62 117.51 118.15 2k6l h ILE 37 Ca 0.16 -1.96 0.03 0.00 1.08 0.00 0.00 64.86 64.17 2k6l h ILE 37 Cb 0.16 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 37.80 2k6l h ILE 37 CO -0.19 0.62 0.07 -0.08 -1.08 0.00 0.00 178.15 177.48 2k6l h GLU 38 N 0.49 0.17 -0.06 2.19 4.22 -0.91 -0.84 114.58 119.84 2k6l h GLU 38 Ca -0.03 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.28 2k6l h GLU 38 Cb 1.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2k6l h GLU 38 CO 0.14 0.11 -0.50 -0.44 -2.18 0.00 0.00 179.01 176.14 2k6l h ASP 39 N 0.18 0.17 -0.24 1.04 3.32 -1.36 -1.97 116.42 117.56 2k6l h ASP 39 Ca 0.12 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2k6l h ASP 39 Cb 0.12 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2k6l h ASP 39 CO -0.15 0.64 0.02 0.00 -1.72 0.00 0.00 179.24 178.03 2k6l h ALA 40 N 1.36 0.31 -0.12 3.45 0.00 -0.99 -2.58 119.26 120.69 2k6l h ALA 40 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2k6l h ALA 40 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k6l h ALA 40 CO 0.07 0.02 -0.63 -0.39 0.00 0.00 0.00 179.25 178.32 2k6l h VAL 41 N 0.19 1.35 -0.90 0.00 -1.51 -1.15 -3.10 116.25 111.13 2k6l h VAL 41 Ca 0.07 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 63.58 2k6l h VAL 41 Cb 0.37 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.43 2k6l h VAL 41 CO 0.01 0.60 0.57 0.03 -1.23 0.00 0.00 177.57 177.55 2k6l h ARG 42 N 0.33 1.19 -0.45 5.19 2.47 -1.28 -1.27 114.38 120.56 2k6l h ARG 42 Ca -0.01 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.51 2k6l h ARG 42 Cb 1.18 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 2k6l h ARG 42 CO 0.11 0.81 -0.16 0.00 0.56 0.00 0.00 179.97 181.29 2k6l h ALA 43 N 1.41 0.86 -0.18 0.04 0.00 -1.41 -1.33 119.26 118.64 2k6l h ALA 43 Ca 0.33 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2k6l h ALA 43 Cb -0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2k6l h ALA 43 CO -0.07 0.64 -0.13 1.88 0.00 0.00 0.00 179.25 181.58 2k6l h TYR 44 N 0.77 0.48 0.00 0.00 0.05 -1.36 -2.52 116.97 114.39 2k6l h TYR 44 Ca 0.12 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2k6l h TYR 44 Cb 0.69 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 2k6l h TYR 44 CO 0.04 0.74 -0.25 -0.07 -1.05 0.00 0.00 178.16 177.57 2k6l h LEU 45 N 0.08 0.00 -0.05 3.88 3.38 -1.22 -3.09 115.31 118.29 2k6l h LEU 45 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2k6l h LEU 45 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2k6l h LEU 45 CO 0.03 0.25 -0.41 0.15 0.09 0.00 0.00 178.44 178.56 2k6l h PHE 46 N 0.00 0.52 -0.76 1.13 3.04 -1.11 -1.67 116.94 118.09 2k6l h PHE 46 Ca -0.00 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.71 2k6l h PHE 46 Cb 0.64 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 2k6l h PHE 46 CO 0.00 1.01 0.47 1.05 -2.02 0.00 0.00 178.31 178.83 2k6l h GLU 47 N -0.13 1.01 0.00 1.11 4.11 -1.41 -1.89 114.58 117.39 2k6l h GLU 47 Ca -0.04 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 2k6l h GLU 47 Cb 1.08 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k6l h GLU 47 CO 0.08 0.70 -0.01 -0.09 0.07 0.00 0.00 179.01 179.76 2k6l h ARG 48 N 1.03 0.00 -0.77 1.06 2.43 -1.60 -3.21 114.38 113.32 2k6l h ARG 48 Ca 0.27 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2k6l h ARG 48 Cb -0.07 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 2k6l h ARG 48 CO -0.05 0.01 0.37 0.00 -1.51 0.00 0.00 179.97 178.79 2k6l h ALA 49 N 1.99 1.20 -0.19 2.80 0.00 -0.45 -2.84 119.26 121.77 2k6l h ALA 49 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2k6l h ALA 49 Cb 0.88 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k6l h ALA 49 CO 0.00 0.61 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 2k6l h VAL 50 N 1.09 1.27 0.00 0.00 2.07 -1.54 -3.51 116.25 115.63 2k6l h VAL 50 Ca 0.27 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2k6l h VAL 50 Cb 0.11 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k6l h VAL 50 CO -0.03 0.29 0.00 1.21 0.02 0.00 0.00 177.57 179.05