#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 0.42 0.28 7.83 2.47 -1.26 -5.14 114.94 119.54 2k6l s ASN 2 Ca 0.00 -0.11 -0.21 0.00 0.42 0.00 0.00 52.86 52.96 2k6l s ASN 2 Cb 0.00 -0.03 -0.09 0.00 -1.45 0.00 0.00 41.25 39.68 2k6l s ASN 2 CO 0.00 0.01 0.80 0.42 -3.72 0.00 0.00 177.10 174.61 2k6l s THR 3 N -0.21 4.48 0.06 -5.21 -4.23 -1.26 -5.06 115.64 104.20 2k6l s THR 3 Ca -0.00 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2k6l s THR 3 Cb -0.02 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2k6l s THR 3 CO -0.00 0.10 0.18 -0.69 -0.54 0.00 0.00 174.62 173.67 2k6l s VAL 4 N -1.66 5.23 -0.17 2.29 1.01 -1.26 -5.09 120.40 120.75 2k6l s VAL 4 Ca 0.48 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2k6l s VAL 4 Cb -0.16 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2k6l s VAL 4 CO 0.21 0.15 0.15 -0.60 0.00 0.00 0.00 175.10 175.00 2k6l s ARG 5 N -2.45 3.95 -0.17 2.72 3.00 -1.26 -5.08 118.95 119.67 2k6l s ARG 5 Ca 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.73 54.89 2k6l s ARG 5 Cb -0.13 -3.34 0.05 0.00 0.00 0.00 0.00 34.95 31.53 2k6l s ARG 5 CO 0.26 0.46 -0.02 -1.58 0.00 0.00 0.00 175.30 174.42 2k6l s TRP 6 N -0.10 1.40 -0.28 5.12 0.52 -1.26 -5.10 118.94 119.24 2k6l s TRP 6 Ca 0.11 -0.95 -0.09 0.00 0.02 0.00 0.00 56.10 55.20 2k6l s TRP 6 Cb -0.12 -1.17 -0.02 0.00 -1.15 0.00 0.00 33.47 31.01 2k6l s TRP 6 CO 0.01 -0.59 0.11 -0.80 0.02 0.00 0.00 176.95 175.70 2k6l s ASN 7 N 1.73 5.38 0.10 2.95 0.01 -1.26 -5.08 114.94 118.78 2k6l s ASN 7 Ca 0.00 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2k6l s ASN 7 Cb -0.16 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2k6l s ASN 7 CO -0.07 -0.11 -0.07 0.27 -1.51 0.00 0.00 177.10 175.61 2k6l s ILE 8 N 1.62 0.74 -0.24 0.60 -4.36 -1.26 -5.13 121.20 113.17 2k6l s ILE 8 Ca 0.06 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.36 2k6l s ILE 8 Cb -0.16 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 2k6l s ILE 8 CO 0.05 -0.86 0.31 0.00 0.24 0.00 0.00 174.94 174.68 2k6l s ALA 9 N -3.60 3.57 0.14 2.27 0.00 -1.26 -5.07 121.76 117.82 2k6l s ALA 9 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2k6l s ALA 9 Cb 0.05 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2k6l s ALA 9 CO -0.04 -0.40 0.02 0.14 0.00 0.00 0.00 175.76 175.48 2k6l s VAL 10 N 1.50 0.40 0.01 0.00 -7.23 -1.26 -5.12 120.40 108.70 2k6l s VAL 10 Ca 0.14 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.07 2k6l s VAL 10 Cb -0.15 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2k6l s VAL 10 CO 0.08 -0.53 0.98 -0.55 -0.31 0.00 0.00 175.10 174.76 2k6l s SER 11 N -3.09 7.38 0.00 4.85 0.15 -1.26 -4.86 113.70 116.86 2k6l s SER 11 Ca 0.22 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2k6l s SER 11 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2k6l s SER 11 CO 0.01 -0.25 0.62 -0.81 1.20 0.00 0.00 173.24 174.02 2k6l n PRO 12 N 3.82 0.00 0.16 5.44 -0.04 -1.26 0.09 135.00 143.21 2k6l n PRO 12 Ca 0.06 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2k6l n PRO 12 Cb 0.51 -1.77 0.24 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.72 3.54 3.58 -2.02 -3.06 116.42 119.18 2k6l h ASP 13 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2k6l h ASP 13 Cb 0.53 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2k6l h ASP 13 CO 0.00 0.50 -0.77 -0.37 -2.88 0.00 0.00 179.24 175.72 2k6l h VAL 14 N 0.00 1.53 -0.08 2.25 -1.51 -0.73 -3.12 116.25 114.60 2k6l h VAL 14 Ca -0.00 -2.58 -0.01 0.00 -1.23 0.00 0.00 66.70 62.87 2k6l h VAL 14 Cb 1.04 2.40 -0.00 0.00 -2.13 0.00 0.00 31.29 32.59 2k6l h VAL 14 CO 0.06 0.74 0.01 -0.78 -1.23 0.00 0.00 177.57 176.37 2k6l h ASP 15 N 0.02 0.14 -0.96 4.19 1.82 -1.67 -0.89 116.42 119.07 2k6l h ASP 15 Ca -0.01 -0.28 0.04 0.00 -0.39 0.00 0.00 57.03 56.39 2k6l h ASP 15 Cb 1.36 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.28 2k6l h ASP 15 CO 0.10 0.38 0.62 1.56 -1.61 0.00 0.00 179.24 180.30 2k6l h GLN 16 N -0.12 1.16 -0.26 0.28 4.20 -1.61 -1.32 115.11 117.44 2k6l h GLN 16 Ca 0.02 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 2k6l h GLN 16 Cb 0.31 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2k6l h GLN 16 CO 0.00 0.77 -0.48 0.77 -0.67 0.00 0.00 178.83 179.21 2k6l h SER 17 N 1.19 0.76 -0.34 1.46 0.02 -1.46 -2.37 113.55 112.80 2k6l h SER 17 Ca 0.39 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2k6l h SER 17 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2k6l h SER 17 CO -0.13 1.12 0.07 0.58 -1.14 0.00 0.00 176.83 177.32 2k6l h VAL 18 N 0.55 1.23 -0.27 2.27 2.07 -0.53 -1.21 116.25 120.36 2k6l h VAL 18 Ca 0.03 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2k6l h VAL 18 Cb 1.04 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2k6l h VAL 18 CO 0.10 0.27 0.02 -0.09 0.02 0.00 0.00 177.57 177.89 2k6l h ARG 19 N 0.40 0.45 -0.93 1.57 2.43 -1.26 -2.84 114.38 114.20 2k6l h ARG 19 Ca 0.11 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2k6l h ARG 19 Cb 0.33 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2k6l h ARG 19 CO 0.00 0.60 0.56 0.52 -1.51 0.00 0.00 179.97 180.14 2k6l h MET 20 N 0.25 1.26 -0.55 0.20 2.86 -1.37 -2.65 114.93 114.94 2k6l h MET 20 Ca 0.08 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2k6l h MET 20 Cb 0.38 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 2k6l h MET 20 CO 0.01 0.88 0.30 0.35 1.06 0.00 0.00 176.91 179.51 2k6l h PHE 21 N 1.28 0.55 -0.69 -0.22 3.57 -1.06 -1.67 116.94 118.71 2k6l h PHE 21 Ca 0.33 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.92 2k6l h PHE 21 Cb -0.06 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 2k6l h PHE 21 CO 0.00 0.29 0.45 -0.84 -2.23 0.00 0.00 178.31 175.98 2k6l h ILE 22 N 0.58 1.00 -0.72 1.41 3.07 -1.24 0.03 117.51 121.64 2k6l h ILE 22 Ca 0.23 -0.23 0.10 0.00 1.55 0.00 0.00 64.86 66.51 2k6l h ILE 22 Cb 0.10 0.26 -0.05 0.00 -0.27 0.00 0.00 36.82 36.87 2k6l h ILE 22 CO -0.14 0.12 0.48 0.00 -1.05 0.00 0.00 178.15 177.56 2k6l h ALA 23 N 1.63 1.85 0.00 0.16 0.00 -1.21 4.45 119.26 126.15 2k6l h ALA 23 Ca 0.30 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2k6l h ALA 23 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k6l h ALA 23 CO -0.10 -0.01 -0.86 0.00 0.00 0.00 0.00 179.25 178.28 2k6l h ALA 24 N 1.63 0.54 -0.02 0.00 0.00 -0.98 -3.21 119.26 117.22 2k6l h ALA 24 Ca 0.33 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 24 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k6l h ALA 24 CO -0.12 0.92 -0.18 0.94 0.00 0.00 0.00 179.25 180.81 2k6l n GLN 25 N -3.66 1.77 0.00 0.00 7.27 -0.07 -5.04 117.38 117.64 2k6l n GLN 25 Ca -0.03 -1.46 0.00 0.00 0.07 0.00 0.00 57.00 55.58 2k6l n GLN 25 Cb 0.80 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 32.03 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k6l n GLY 26 N 1.28 1.62 0.00 1.69 0.00 1.44 -4.91 105.19 106.31 2k6l n GLY 26 Ca 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.91 0.00 -0.02 0.00 -1.26 -4.32 105.19 100.50 2k6l n GLY 27 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 4.08 0.00 -0.02 0.00 -1.26 -5.13 105.19 102.86 2k6l n GLY 28 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2k6l n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6l n ARG 29 N 0.00 0.62 -0.54 1.61 1.74 -1.26 -4.48 116.66 114.35 2k6l n ARG 29 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2k6l n ARG 29 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2k6l n ARG 29 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k6l n LYS 30 N -0.45 1.03 -3.74 5.56 4.76 -1.26 -4.74 118.16 119.32 2k6l n LYS 30 Ca 0.00 -1.15 -0.15 0.00 -2.87 0.00 0.00 58.31 54.14 2k6l n LYS 30 Cb 0.00 -2.39 -0.15 0.00 -1.84 0.00 0.00 35.03 30.64 2k6l n LYS 30 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6l s GLY 31 N 4.68 0.04 0.00 0.72 0.00 -1.26 -5.01 107.32 106.49 2k6l s GLY 31 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2k6l s GLY 31 CO 0.05 0.96 0.00 1.34 0.00 0.00 0.00 173.10 175.46 2k6l n ASP 32 N 4.36 0.00 -0.07 1.64 -0.08 -1.26 -4.43 116.55 116.71 2k6l n ASP 32 Ca -0.24 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 52.91 2k6l n ASP 32 Cb 0.51 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 2k6l n ASP 32 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2k6l h LEU 33 N 0.00 0.62 -0.91 -2.67 -0.00 -2.00 -2.64 115.31 107.72 2k6l h LEU 33 Ca 0.00 -0.50 0.11 0.00 -0.00 0.00 0.00 57.88 57.48 2k6l h LEU 33 Cb 0.00 -0.17 -0.08 0.00 -0.00 0.00 0.00 40.66 40.41 2k6l h LEU 33 CO 0.00 1.00 0.54 -1.28 -0.00 0.00 0.00 178.44 178.70 2k6l h SER 34 N 0.25 0.79 -0.17 0.17 0.87 -2.00 -1.66 113.55 111.80 2k6l h SER 34 Ca 0.03 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.47 2k6l h SER 34 Cb 0.85 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2k6l h SER 34 CO 0.07 0.44 -0.51 -0.09 -0.53 0.00 0.00 176.83 176.20 2k6l h ARG 35 N 0.89 0.75 -0.80 2.24 9.65 -1.85 -2.31 114.38 122.95 2k6l h ARG 35 Ca 0.44 -0.45 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2k6l h ARG 35 Cb 0.41 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 28.98 2k6l h ARG 35 CO -0.26 1.08 0.48 0.35 2.80 0.00 0.00 179.97 184.43 2k6l h PHE 36 N 0.59 0.89 -0.06 2.20 3.57 -0.93 -2.19 116.94 121.01 2k6l h PHE 36 Ca 0.02 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 2k6l h PHE 36 Cb 1.09 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.55 2k6l h PHE 36 CO 0.06 0.44 -0.87 0.97 -2.23 0.00 0.00 178.31 176.68 2k6l h ILE 37 N 0.88 1.34 -0.30 1.41 -0.00 -1.40 -2.85 117.51 116.58 2k6l h ILE 37 Ca 0.35 -2.21 0.04 0.00 -0.00 0.00 0.00 64.86 63.04 2k6l h ILE 37 Cb 0.18 2.22 -0.03 0.00 -0.00 0.00 0.00 36.82 39.19 2k6l h ILE 37 CO -0.18 0.68 0.09 -0.33 -0.00 0.00 0.00 178.15 178.41 2k6l h GLU 38 N 0.36 0.21 -0.06 2.19 3.07 -0.86 -0.96 114.58 118.53 2k6l h GLU 38 Ca -0.07 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 2k6l h GLU 38 Cb 1.49 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.34 2k6l h GLU 38 CO 0.16 0.14 -0.40 0.22 -1.40 0.00 0.00 179.01 177.73 2k6l h ASP 39 N 0.22 0.14 -0.30 1.42 3.58 -1.48 -2.48 116.42 117.52 2k6l h ASP 39 Ca 0.14 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2k6l h ASP 39 Cb 0.12 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2k6l h ASP 39 CO -0.15 0.53 0.01 0.00 -2.88 0.00 0.00 179.24 176.76 2k6l h ALA 40 N 1.47 0.40 -0.26 -0.78 0.00 -1.09 -2.44 119.26 116.56 2k6l h ALA 40 Ca 0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2k6l h ALA 40 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k6l h ALA 40 CO 0.06 0.13 -0.33 -0.39 0.00 0.00 0.00 179.25 178.72 2k6l h VAL 41 N 0.31 1.29 -0.53 0.00 -1.51 -1.11 -2.80 116.25 111.89 2k6l h VAL 41 Ca 0.09 -1.43 -0.04 0.00 -1.23 0.00 0.00 66.70 64.08 2k6l h VAL 41 Cb 0.41 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.99 2k6l h VAL 41 CO 0.01 0.45 0.19 -0.09 -1.23 0.00 0.00 177.57 176.91 2k6l h ARG 42 N 0.46 0.81 -0.38 5.19 2.43 -1.33 -1.45 114.38 120.12 2k6l h ARG 42 Ca 0.05 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2k6l h ARG 42 Cb 0.80 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2k6l h ARG 42 CO 0.06 0.73 0.12 0.00 -1.51 0.00 0.00 179.97 179.38 2k6l h ALA 43 N 1.04 0.50 -0.49 2.80 0.00 -1.35 -2.39 119.26 119.37 2k6l h ALA 43 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2k6l h ALA 43 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k6l h ALA 43 CO -0.01 0.14 0.24 1.88 0.00 0.00 0.00 179.25 181.50 2k6l h TYR 44 N 0.47 0.71 0.00 0.00 0.05 -1.35 -2.08 116.97 114.76 2k6l h TYR 44 Ca 0.12 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 2k6l h TYR 44 Cb 0.26 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.77 2k6l h TYR 44 CO 0.01 0.56 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.55 2k6l h LEU 45 N 0.65 0.00 -0.12 3.88 3.38 -1.12 -2.62 115.31 119.36 2k6l h LEU 45 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2k6l h LEU 45 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k6l h LEU 45 CO -0.02 0.06 -0.33 0.15 0.09 0.00 0.00 178.44 178.39 2k6l h PHE 46 N 0.00 0.56 -0.60 1.13 3.04 -0.86 -1.48 116.94 118.74 2k6l h PHE 46 Ca -0.00 -0.22 0.05 0.00 3.98 0.00 0.00 57.97 61.78 2k6l h PHE 46 Cb 0.14 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 2k6l h PHE 46 CO 0.00 0.94 0.32 1.49 -2.02 0.00 0.00 178.31 179.04 2k6l h GLU 47 N 0.01 0.59 0.00 1.11 4.22 -1.25 -1.27 114.58 117.98 2k6l h GLU 47 Ca -0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 2k6l h GLU 47 Cb 0.94 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2k6l h GLU 47 CO 0.07 0.39 -0.27 0.00 -2.18 0.00 0.00 179.01 177.02 2k6l h ARG 48 N 0.60 0.00 -0.77 1.92 3.08 -1.56 -3.17 114.38 114.48 2k6l h ARG 48 Ca 0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 2k6l h ARG 48 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2k6l h ARG 48 CO -0.17 0.27 0.34 0.00 -1.07 0.00 0.00 179.97 179.34 2k6l h ALA 49 N 1.73 1.00 -0.14 0.04 0.00 -0.12 -2.99 119.26 118.78 2k6l h ALA 49 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2k6l h ALA 49 Cb 0.95 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k6l h ALA 49 CO 0.04 0.60 -0.47 0.28 0.00 0.00 0.00 179.25 179.69 2k6l h VAL 50 N 1.10 1.35 -0.02 0.00 2.07 -1.48 -3.51 116.25 115.76 2k6l h VAL 50 Ca 0.26 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2k6l h VAL 50 Cb 0.17 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k6l h VAL 50 CO -0.03 0.53 0.00 -0.62 0.02 0.00 0.00 177.57 177.48