#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 1.10 0.03 7.83 0.02 -1.26 -5.14 114.94 117.52 2k6l s ASN 2 Ca 0.00 -0.66 -0.11 0.00 -1.02 0.00 0.00 52.86 51.07 2k6l s ASN 2 Cb 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 41.25 41.24 2k6l s ASN 2 CO 0.00 -0.23 0.37 0.42 0.02 0.00 0.00 177.10 177.68 2k6l s THR 3 N -1.82 5.11 0.06 1.60 -4.23 -1.26 -5.09 115.64 110.02 2k6l s THR 3 Ca -0.04 0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 61.03 2k6l s THR 3 Cb -0.07 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2k6l s THR 3 CO -0.00 0.44 0.23 -0.69 -0.54 0.00 0.00 174.62 174.06 2k6l s VAL 4 N -1.23 5.36 -0.16 2.29 1.01 -1.26 -5.09 120.40 121.33 2k6l s VAL 4 Ca 0.27 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2k6l s VAL 4 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2k6l s VAL 4 CO 0.15 0.17 0.08 -0.13 0.00 0.00 0.00 175.10 175.37 2k6l s ARG 5 N -2.40 3.76 -0.19 2.72 0.52 -1.26 -5.08 118.95 117.02 2k6l s ARG 5 Ca 0.34 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 55.27 2k6l s ARG 5 Cb -0.13 -3.18 0.05 0.00 0.52 0.00 0.00 34.95 32.20 2k6l s ARG 5 CO 0.25 0.45 -0.06 -1.58 0.02 0.00 0.00 175.30 174.38 2k6l s TRP 6 N -0.12 2.00 -0.28 -0.53 0.52 -1.26 -5.09 118.94 114.17 2k6l s TRP 6 Ca 0.08 -1.34 -0.09 0.00 0.02 0.00 0.00 56.10 54.77 2k6l s TRP 6 Cb -0.12 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.74 2k6l s TRP 6 CO 0.01 -0.68 0.12 1.21 0.02 0.00 0.00 176.95 177.63 2k6l s ASN 7 N 1.53 5.42 0.07 2.95 3.84 -1.26 -5.08 114.94 122.42 2k6l s ASN 7 Ca -0.01 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 52.70 2k6l s ASN 7 Cb -0.16 -1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2k6l s ASN 7 CO -0.08 -0.12 -0.05 0.27 -2.79 0.00 0.00 177.10 174.33 2k6l s ILE 8 N 1.62 0.49 -0.20 -5.21 -4.36 -1.26 -5.13 121.20 107.15 2k6l s ILE 8 Ca 0.05 -1.78 -0.14 0.00 -0.26 0.00 0.00 60.65 58.52 2k6l s ILE 8 Cb -0.16 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 2k6l s ILE 8 CO 0.06 -0.87 0.29 0.00 0.24 0.00 0.00 174.94 174.66 2k6l s ALA 9 N -3.47 3.59 0.12 2.27 0.00 -1.26 -5.07 121.76 117.94 2k6l s ALA 9 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2k6l s ALA 9 Cb 0.04 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2k6l s ALA 9 CO -0.06 -0.14 0.04 0.14 0.00 0.00 0.00 175.76 175.74 2k6l s VAL 10 N 0.97 0.14 -0.01 0.00 -7.23 -1.26 -5.12 120.40 107.90 2k6l s VAL 10 Ca 0.15 -1.90 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2k6l s VAL 10 Cb -0.14 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2k6l s VAL 10 CO 0.05 -0.54 1.10 -0.55 -0.31 0.00 0.00 175.10 174.85 2k6l s SER 11 N -3.04 7.20 0.00 4.85 0.15 -1.26 -4.85 113.70 116.75 2k6l s SER 11 Ca 0.22 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2k6l s SER 11 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2k6l s SER 11 CO 0.00 -0.42 0.60 -0.81 1.20 0.00 0.00 173.24 173.82 2k6l n PRO 12 N 4.32 0.00 0.17 5.44 -0.04 -1.26 -0.20 135.00 143.42 2k6l n PRO 12 Ca 0.08 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 2k6l n PRO 12 Cb 0.48 -1.73 0.26 0.00 -0.04 0.00 0.00 33.50 32.48 2k6l n PRO 12 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2k6l h ASP 13 N 0.00 0.00 0.68 3.54 3.04 -2.02 -3.11 116.42 118.56 2k6l h ASP 13 Ca 0.00 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.62 2k6l h ASP 13 Cb 0.46 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.73 2k6l h ASP 13 CO 0.00 0.45 -0.79 -0.37 -2.04 0.00 0.00 179.24 176.49 2k6l h VAL 14 N 0.00 1.52 -0.06 4.15 -1.51 -0.97 -3.09 116.25 116.29 2k6l h VAL 14 Ca -0.00 -2.59 -0.01 0.00 -1.23 0.00 0.00 66.70 62.86 2k6l h VAL 14 Cb 1.00 2.41 -0.00 0.00 -2.13 0.00 0.00 31.29 32.57 2k6l h VAL 14 CO 0.06 0.75 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.35 2k6l h ASP 15 N 0.05 0.12 -1.00 4.19 3.58 -1.70 -1.11 116.42 120.55 2k6l h ASP 15 Ca -0.02 -0.35 0.05 0.00 0.42 0.00 0.00 57.03 57.13 2k6l h ASP 15 Cb 1.39 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 42.34 2k6l h ASP 15 CO 0.11 0.45 0.65 -0.61 -2.88 0.00 0.00 179.24 176.96 2k6l h GLN 16 N -0.21 1.19 -0.26 0.28 4.15 -1.62 -1.86 115.11 116.78 2k6l h GLN 16 Ca 0.02 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.21 2k6l h GLN 16 Cb 0.39 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2k6l h GLN 16 CO 0.01 0.79 -0.45 0.77 -1.93 0.00 0.00 178.83 178.01 2k6l h SER 17 N 1.23 0.73 -0.82 -0.69 0.02 -1.45 -2.99 113.55 109.59 2k6l h SER 17 Ca 0.42 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2k6l h SER 17 Cb 0.08 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2k6l h SER 17 CO -0.15 1.07 0.53 0.58 -1.14 0.00 0.00 176.83 177.73 2k6l h VAL 18 N 0.54 1.21 -0.33 2.27 2.07 -0.40 -1.10 116.25 120.51 2k6l h VAL 18 Ca 0.03 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2k6l h VAL 18 Cb 1.00 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2k6l h VAL 18 CO 0.09 0.21 0.10 -0.09 0.02 0.00 0.00 177.57 177.90 2k6l h ARG 19 N 1.11 0.52 -0.65 1.57 1.12 -1.36 -2.02 114.38 114.68 2k6l h ARG 19 Ca 0.30 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 2k6l h ARG 19 Cb -0.11 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.75 2k6l h ARG 19 CO -0.06 0.56 0.36 0.52 -3.11 0.00 0.00 179.97 178.24 2k6l h MET 20 N 0.38 0.90 -0.01 0.20 2.86 -1.33 -1.99 114.93 115.94 2k6l h MET 20 Ca 0.11 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2k6l h MET 20 Cb 0.26 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2k6l h MET 20 CO -0.00 0.67 -0.01 0.35 1.06 0.00 0.00 176.91 178.98 2k6l h PHE 21 N 0.88 -0.03 -0.83 -0.22 3.04 -1.00 -2.42 116.94 116.35 2k6l h PHE 21 Ca 0.23 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.19 2k6l h PHE 21 Cb 0.03 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 2k6l h PHE 21 CO -0.01 -0.02 0.55 -0.84 -2.02 0.00 0.00 178.31 175.97 2k6l h ILE 22 N -0.02 1.21 -0.36 1.41 3.07 -1.19 -0.65 117.51 120.98 2k6l h ILE 22 Ca 0.01 -0.39 0.04 0.00 1.55 0.00 0.00 64.86 66.07 2k6l h ILE 22 Cb 0.03 -0.01 -0.02 0.00 -0.27 0.00 0.00 36.82 36.55 2k6l h ILE 22 CO -0.02 0.21 0.24 0.00 -1.05 0.00 0.00 178.15 177.53 2k6l h ALA 23 N 1.48 1.93 -0.01 0.16 0.00 -0.90 0.84 119.26 122.77 2k6l h ALA 23 Ca 0.31 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2k6l h ALA 23 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k6l h ALA 23 CO -0.07 0.02 -0.84 0.00 0.00 0.00 0.00 179.25 178.36 2k6l h ALA 24 N 1.80 0.56 -0.01 0.00 0.00 -0.71 -3.06 119.26 117.84 2k6l h ALA 24 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k6l h ALA 24 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k6l h ALA 24 CO -0.03 0.89 -0.14 0.94 0.00 0.00 0.00 179.25 180.90 2k6l n GLN 25 N -3.69 1.41 -2.50 0.00 7.27 -0.21 -4.82 117.38 114.85 2k6l n GLN 25 Ca -0.03 -0.93 -0.43 0.00 0.07 0.00 0.00 57.00 55.68 2k6l n GLN 25 Cb 0.78 -1.48 -0.02 0.00 2.41 0.00 0.00 30.24 31.93 2k6l n GLN 25 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2k6l s GLY 26 N -2.23 1.17 0.00 1.69 0.00 0.28 -4.67 107.32 103.56 2k6l s GLY 26 Ca 0.30 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2k6l s GLY 26 CO 0.42 2.57 0.62 0.61 0.00 0.00 0.00 173.10 177.32 2k6l n GLY 27 N 5.00 0.75 0.00 0.20 0.00 -1.26 -4.98 105.19 104.90 2k6l n GLY 27 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.67 3.46 -0.02 0.00 -1.26 -5.14 105.19 102.90 2k6l n GLY 28 Ca -0.09 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2k6l n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k6l s ARG 29 N 0.00 1.66 0.00 1.61 0.52 -1.26 -5.12 118.95 116.36 2k6l s ARG 29 Ca 0.00 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 2k6l s ARG 29 Cb 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.55 2k6l s ARG 29 CO 0.00 0.41 0.00 1.63 0.02 0.00 0.00 175.30 177.36 2k6l n LYS 30 N 0.20 0.00 0.00 3.54 5.02 -1.26 -4.75 118.16 120.91 2k6l n LYS 30 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2k6l n LYS 30 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 4.96 0.93 0.00 0.72 0.00 -1.26 -5.05 105.19 105.49 2k6l n GLY 31 Ca 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 1.69 0.02 1.61 5.75 -1.26 -5.03 116.55 119.33 2k6l n ASP 32 Ca 0.00 -0.18 -0.13 0.00 -0.01 0.00 0.00 54.79 54.47 2k6l n ASP 32 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 2k6l n ASP 32 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k6l h LEU 33 N 0.00 0.66 -0.87 -2.12 -0.00 -1.98 -3.18 115.31 107.81 2k6l h LEU 33 Ca 0.00 -0.43 0.12 0.00 -0.00 0.00 0.00 57.88 57.57 2k6l h LEU 33 Cb 0.00 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.38 2k6l h LEU 33 CO 0.00 1.19 0.49 0.28 -0.00 0.00 0.00 178.44 180.40 2k6l h SER 34 N 0.38 0.67 -0.34 -0.43 0.02 -2.00 -1.43 113.55 110.41 2k6l h SER 34 Ca -0.04 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 2k6l h SER 34 Cb 1.34 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2k6l h SER 34 CO 0.14 0.33 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.71 2k6l h ARG 35 N 0.76 0.89 -0.44 3.45 1.12 -1.96 -1.53 114.38 116.67 2k6l h ARG 35 Ca 0.45 -0.45 0.05 0.00 -1.11 0.00 0.00 59.98 58.91 2k6l h ARG 35 Cb 0.52 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.44 2k6l h ARG 35 CO -0.30 1.10 0.17 0.35 -3.11 0.00 0.00 179.97 178.18 2k6l h PHE 36 N 0.73 0.31 -0.09 2.20 3.57 -1.26 -1.55 116.94 120.85 2k6l h PHE 36 Ca 0.07 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.36 2k6l h PHE 36 Cb 0.94 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.62 2k6l h PHE 36 CO 0.06 0.13 -0.84 0.97 -2.23 0.00 0.00 178.31 176.39 2k6l h ILE 37 N 0.35 1.32 -0.33 1.41 -0.00 -1.42 -2.69 117.51 116.14 2k6l h ILE 37 Ca 0.20 -2.12 0.04 0.00 -0.00 0.00 0.00 64.86 62.98 2k6l h ILE 37 Cb 0.17 2.14 -0.04 0.00 -0.00 0.00 0.00 36.82 39.10 2k6l h ILE 37 CO -0.19 0.66 0.10 -0.33 -0.00 0.00 0.00 178.15 178.38 2k6l h GLU 38 N 0.42 0.22 -0.05 2.19 4.39 -0.87 -1.19 114.58 119.70 2k6l h GLU 38 Ca -0.07 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2k6l h GLU 38 Cb 1.46 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 2k6l h GLU 38 CO 0.16 0.15 -0.49 -0.44 -1.16 0.00 0.00 179.01 177.23 2k6l h ASP 39 N 0.23 0.13 -0.28 1.42 3.32 -1.36 -2.94 116.42 116.94 2k6l h ASP 39 Ca 0.15 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2k6l h ASP 39 Cb 0.14 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2k6l h ASP 39 CO -0.17 0.60 0.07 0.00 -1.72 0.00 0.00 179.24 178.02 2k6l h ALA 40 N 1.41 0.37 -0.25 3.45 0.00 -0.97 -2.93 119.26 120.33 2k6l h ALA 40 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2k6l h ALA 40 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k6l h ALA 40 CO 0.07 0.02 -0.24 -0.39 0.00 0.00 0.00 179.25 178.72 2k6l h VAL 41 N 0.29 1.26 -0.65 0.00 -1.51 -1.22 -3.02 116.25 111.40 2k6l h VAL 41 Ca 0.09 -1.23 0.02 0.00 -1.23 0.00 0.00 66.70 64.35 2k6l h VAL 41 Cb 0.27 1.33 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 2k6l h VAL 41 CO -0.00 0.39 0.42 -0.09 -1.23 0.00 0.00 177.57 177.06 2k6l h ARG 42 N 0.42 0.82 -0.89 5.19 2.43 -1.35 -1.12 114.38 119.88 2k6l h ARG 42 Ca 0.06 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2k6l h ARG 42 Cb 0.64 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2k6l h ARG 42 CO 0.05 0.54 0.58 0.00 -1.51 0.00 0.00 179.97 179.63 2k6l h ALA 43 N 1.26 1.15 -0.04 2.80 0.00 -1.38 -1.55 119.26 121.49 2k6l h ALA 43 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2k6l h ALA 43 Cb -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2k6l h ALA 43 CO -0.07 0.47 -0.05 1.88 0.00 0.00 0.00 179.25 181.48 2k6l h TYR 44 N 1.16 0.12 -0.88 0.00 0.05 -1.44 -2.61 116.97 113.37 2k6l h TYR 44 Ca 0.34 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.16 2k6l h TYR 44 Cb -0.06 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 2k6l h TYR 44 CO -0.01 0.59 0.57 -0.07 -1.05 0.00 0.00 178.16 178.19 2k6l h LEU 45 N -0.39 0.84 -0.19 3.88 3.38 -1.05 -2.20 115.31 119.58 2k6l h LEU 45 Ca 0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2k6l h LEU 45 Cb 0.58 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k6l h LEU 45 CO 0.01 0.53 -0.14 2.19 0.09 0.00 0.00 178.44 181.12 2k6l h PHE 46 N 0.95 0.51 -0.89 1.13 -5.15 -1.28 -1.66 116.94 110.55 2k6l h PHE 46 Ca 0.39 -0.14 0.08 0.00 -0.20 0.00 0.00 57.97 58.09 2k6l h PHE 46 Cb 0.26 -0.11 -0.07 0.00 0.22 0.00 0.00 35.95 36.25 2k6l h PHE 46 CO -0.00 0.77 0.55 1.49 -2.00 0.00 0.00 178.31 179.12 2k6l h GLU 47 N 0.11 0.93 0.00 6.09 4.81 -1.04 -0.54 114.58 124.95 2k6l h GLU 47 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2k6l h GLU 47 Cb 0.66 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k6l h GLU 47 CO 0.04 0.61 -0.28 -0.09 -0.73 0.00 0.00 179.01 178.56 2k6l h ARG 48 N 0.95 0.00 0.01 1.92 2.43 -1.35 -3.26 114.38 115.09 2k6l h ARG 48 Ca 0.41 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 2k6l h ARG 48 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2k6l h ARG 48 CO -0.21 0.28 -0.01 0.00 -1.51 0.00 0.00 179.97 178.53 2k6l h ALA 49 N 1.72 -0.02 0.01 2.80 0.00 -0.10 -3.19 119.26 120.48 2k6l h ALA 49 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2k6l h ALA 49 Cb 0.98 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2k6l h ALA 49 CO 0.04 -0.37 -0.16 0.28 0.00 0.00 0.00 179.25 179.04 2k6l h VAL 50 N -0.28 0.62 0.00 0.00 2.07 -1.54 -3.51 116.25 113.61 2k6l h VAL 50 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k6l h VAL 50 Cb 0.28 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2k6l h VAL 50 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97