#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 -0.04 0.18 7.83 2.47 -1.26 -5.14 114.94 118.98 2k6l s ASN 2 Ca 0.00 -0.09 -0.30 0.00 0.42 0.00 0.00 52.86 52.89 2k6l s ASN 2 Cb 0.00 0.25 -0.08 0.00 -1.45 0.00 0.00 41.25 39.97 2k6l s ASN 2 CO 0.00 -0.36 0.96 0.42 -3.72 0.00 0.00 177.10 174.40 2k6l s THR 3 N -1.22 4.24 0.05 -5.21 -4.23 -1.26 -5.05 115.64 102.96 2k6l s THR 3 Ca -0.13 2.05 0.00 0.00 -1.18 0.00 0.00 61.69 62.43 2k6l s THR 3 Cb -0.07 -4.31 -0.04 0.00 1.34 0.00 0.00 72.50 69.43 2k6l s THR 3 CO 0.02 0.41 0.17 -0.69 -0.54 0.00 0.00 174.62 173.99 2k6l s VAL 4 N -0.63 5.19 -0.13 2.29 1.01 -1.26 -5.10 120.40 121.77 2k6l s VAL 4 Ca 0.44 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2k6l s VAL 4 Cb -0.25 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2k6l s VAL 4 CO 0.31 0.18 0.03 0.00 0.00 0.00 0.00 175.10 175.62 2k6l s ARG 5 N -2.34 3.43 -0.21 2.72 1.70 -1.26 -5.09 118.95 117.90 2k6l s ARG 5 Ca 0.32 -0.38 0.01 0.00 -0.47 0.00 0.00 55.73 55.21 2k6l s ARG 5 Cb -0.13 -2.97 0.05 0.00 -0.57 0.00 0.00 34.95 31.33 2k6l s ARG 5 CO 0.24 0.51 -0.10 -1.58 -1.08 0.00 0.00 175.30 173.29 2k6l s TRP 6 N -0.33 2.58 -0.26 5.89 0.52 -1.26 -5.09 118.94 120.99 2k6l s TRP 6 Ca 0.07 -1.75 -0.06 0.00 0.02 0.00 0.00 56.10 54.38 2k6l s TRP 6 Cb -0.12 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.49 2k6l s TRP 6 CO 0.02 -0.78 0.05 0.54 0.02 0.00 0.00 176.95 176.81 2k6l s ASN 7 N 1.34 4.97 0.08 2.95 4.22 -1.26 -5.08 114.94 122.15 2k6l s ASN 7 Ca -0.03 -0.45 0.01 0.00 -2.14 0.00 0.00 52.86 50.25 2k6l s ASN 7 Cb -0.17 -1.87 -0.04 0.00 1.28 0.00 0.00 41.25 40.45 2k6l s ASN 7 CO -0.08 -0.10 -0.06 0.27 -2.04 0.00 0.00 177.10 175.10 2k6l s ILE 8 N 1.54 0.57 -0.18 0.54 -4.36 -1.26 -5.14 121.20 112.92 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 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 2k6l s ILE 8 CO 0.02 -0.82 0.29 0.00 0.24 0.00 0.00 174.94 174.67 2k6l s ALA 9 N -3.33 3.59 0.12 2.27 0.00 -1.26 -5.07 121.76 118.08 2k6l s ALA 9 Ca 0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 2k6l s ALA 9 Cb 0.03 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 2k6l s ALA 9 CO -0.05 -0.03 0.10 0.14 0.00 0.00 0.00 175.76 175.92 2k6l s VAL 10 N 0.73 0.11 0.44 0.00 -7.23 -1.26 -5.14 120.40 108.05 2k6l s VAL 10 Ca 0.16 -1.74 -0.23 0.00 -1.81 0.00 0.00 61.98 58.36 2k6l s VAL 10 Cb -0.13 -1.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 2k6l s VAL 10 CO 0.05 -0.51 1.06 -0.55 -0.31 0.00 0.00 175.10 174.83 2k6l s SER 11 N -3.00 6.55 0.00 4.85 0.15 -1.26 -4.88 113.70 116.11 2k6l s SER 11 Ca 0.19 2.03 0.06 0.00 0.70 0.00 0.00 55.95 58.93 2k6l s SER 11 Cb 0.06 -2.58 0.33 0.00 -1.71 0.00 0.00 66.02 62.12 2k6l s SER 11 CO -0.01 -0.64 1.00 -0.81 1.20 0.00 0.00 173.24 173.98 2k6l n PRO 12 N -0.43 0.11 0.14 5.44 -0.04 -1.26 -1.99 135.00 136.97 2k6l n PRO 12 Ca 0.07 0.18 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2k6l n PRO 12 Cb 0.50 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.25 3.54 3.32 -2.00 -3.05 116.42 118.47 2k6l h ASP 13 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 2k6l h ASP 13 Cb 0.04 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.60 2k6l h ASP 13 CO 0.00 0.61 -0.94 -0.37 -1.72 0.00 0.00 179.24 176.83 2k6l h VAL 14 N 0.00 1.37 -0.05 -1.35 -1.51 -1.78 -2.66 116.25 110.26 2k6l h VAL 14 Ca -0.01 -2.36 -0.01 0.00 -1.23 0.00 0.00 66.70 63.09 2k6l h VAL 14 Cb 1.18 2.37 -0.00 0.00 -2.13 0.00 0.00 31.29 32.71 2k6l h VAL 14 CO 0.08 0.71 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.34 2k6l h ASP 15 N 0.28 0.10 -0.57 4.19 3.58 -1.70 -1.07 116.42 121.23 2k6l h ASP 15 Ca -0.08 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.04 2k6l h ASP 15 Cb 1.57 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.56 2k6l h ASP 15 CO 0.17 0.43 0.35 -0.61 -2.88 0.00 0.00 179.24 176.70 2k6l h GLN 16 N -0.23 0.67 -0.71 0.28 4.15 -1.62 -1.68 115.11 115.97 2k6l h GLN 16 Ca 0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 2k6l h GLN 16 Cb 0.39 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 2k6l h GLN 16 CO 0.00 0.44 0.21 0.66 -1.93 0.00 0.00 178.83 178.22 2k6l h SER 17 N 0.69 1.04 -0.67 -0.69 4.64 -1.42 -2.44 113.55 114.69 2k6l h SER 17 Ca 0.23 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2k6l h SER 17 Cb 0.02 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.81 2k6l h SER 17 CO -0.10 0.98 0.38 0.58 -0.87 0.00 0.00 176.83 177.80 2k6l h VAL 18 N 1.04 1.21 -0.44 0.95 2.07 -0.63 -1.06 116.25 119.39 2k6l h VAL 18 Ca 0.23 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2k6l h VAL 18 Cb 0.32 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2k6l h VAL 18 CO -0.00 0.22 0.19 -0.09 0.02 0.00 0.00 177.57 177.91 2k6l h ARG 19 N 0.92 0.65 -0.62 1.57 9.65 -1.10 -2.42 114.38 123.02 2k6l h ARG 19 Ca 0.24 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 2k6l h ARG 19 Cb 0.02 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 2k6l h ARG 19 CO -0.04 0.58 0.26 0.52 2.80 0.00 0.00 179.97 184.09 2k6l h MET 20 N 0.57 0.92 0.09 0.20 2.86 -1.14 -2.79 114.93 115.63 2k6l h MET 20 Ca 0.15 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k6l h MET 20 Cb 0.16 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2k6l h MET 20 CO -0.02 0.77 -0.08 0.35 1.06 0.00 0.00 176.91 178.99 2k6l h PHE 21 N 0.86 -0.21 -0.78 -0.22 3.57 -0.96 -2.44 116.94 116.77 2k6l h PHE 21 Ca 0.21 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2k6l h PHE 21 Cb 0.18 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2k6l h PHE 21 CO 0.01 -0.13 0.51 -0.84 -2.23 0.00 0.00 178.31 175.63 2k6l h ILE 22 N -0.19 1.01 -0.51 1.41 -0.00 -1.38 0.53 117.51 118.38 2k6l h ILE 22 Ca 0.00 -0.28 0.09 0.00 -0.00 0.00 0.00 64.86 64.68 2k6l h ILE 22 Cb 0.18 0.13 -0.03 0.00 -0.00 0.00 0.00 36.82 37.10 2k6l h ILE 22 CO -0.02 0.15 0.35 0.00 -0.00 0.00 0.00 178.15 178.63 2k6l h ALA 23 N 1.58 2.09 -0.00 0.16 0.00 -1.16 1.12 119.26 123.05 2k6l h ALA 23 Ca 0.34 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2k6l h ALA 23 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k6l h ALA 23 CO -0.12 -0.21 -0.83 0.00 0.00 0.00 0.00 179.25 178.08 2k6l h ALA 24 N 1.74 0.59 -0.02 0.00 0.00 -0.76 -3.10 119.26 117.72 2k6l h ALA 24 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k6l h ALA 24 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k6l h ALA 24 CO -0.05 0.92 -0.15 0.94 0.00 0.00 0.00 179.25 180.91 2k6l n GLN 25 N -3.66 1.55 -3.51 0.00 7.27 0.23 -4.99 117.38 114.27 2k6l n GLN 25 Ca -0.03 -1.10 -0.18 0.00 0.07 0.00 0.00 57.00 55.76 2k6l n GLN 25 Cb 0.78 -1.48 0.00 0.00 2.41 0.00 0.00 30.24 31.96 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 1.30 -1.14 0.00 1.69 0.00 0.36 -4.97 105.19 102.44 2k6l n GLY 26 Ca 0.14 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.45 0.43 0.00 -0.02 0.00 -1.20 -5.05 105.19 97.90 2k6l n GLY 27 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.20 3.26 2.10 -0.02 0.00 -1.26 -5.15 105.19 107.33 2k6l n GLY 28 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.07 -1.59 1.61 5.12 -1.26 -5.07 116.66 115.40 2k6l n ARG 29 Ca 0.00 -1.36 -0.30 0.00 -1.93 0.00 0.00 57.85 54.25 2k6l n ARG 29 Cb 0.00 -0.48 0.07 0.00 -1.16 0.00 0.00 32.46 30.89 2k6l n ARG 29 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2k6l s LYS 30 N -4.09 2.58 0.00 5.56 1.02 -1.26 -4.10 119.74 119.45 2k6l s LYS 30 Ca 0.38 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.15 2k6l s LYS 30 Cb -0.02 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2k6l s LYS 30 CO 0.25 -1.31 0.00 0.41 -0.92 0.00 0.00 175.35 173.79 2k6l n GLY 31 N -2.12 0.58 1.74 -3.33 0.00 -1.26 -4.94 105.19 95.86 2k6l n GLY 31 Ca 0.07 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.36 2k6l n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6l n ASP 32 N 1.74 5.04 -0.02 1.61 9.92 -1.26 -4.38 116.55 129.20 2k6l n ASP 32 Ca 0.00 -2.85 -0.17 0.00 -0.53 0.00 0.00 54.79 51.24 2k6l n ASP 32 Cb 0.43 -0.67 -0.09 0.00 -0.64 0.00 0.00 41.12 40.14 2k6l n ASP 32 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2k6l h LEU 33 N 3.32 0.63 -0.71 0.64 -0.00 -1.94 -2.96 115.31 114.30 2k6l h LEU 33 Ca 0.04 -0.67 0.10 0.00 -0.00 0.00 0.00 57.88 57.34 2k6l h LEU 33 Cb 1.85 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 42.25 2k6l h LEU 33 CO 0.47 1.21 0.34 0.28 -0.00 0.00 0.00 178.44 180.73 2k6l h SER 34 N 0.11 0.43 -0.05 0.17 0.02 -2.01 -1.80 113.55 110.40 2k6l h SER 34 Ca -0.05 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2k6l h SER 34 Cb 1.23 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2k6l h SER 34 CO 0.12 0.24 -0.48 0.08 -1.14 0.00 0.00 176.83 175.65 2k6l h ARG 35 N 0.57 0.61 -0.54 3.45 0.11 -1.87 -1.99 114.38 114.72 2k6l h ARG 35 Ca 0.35 -0.35 0.06 0.00 0.10 0.00 0.00 59.98 60.14 2k6l h ARG 35 Cb 0.39 0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.45 2k6l h ARG 35 CO -0.28 0.95 0.26 0.35 0.10 0.00 0.00 179.97 181.35 2k6l h PHE 36 N 0.49 0.47 -0.03 4.08 3.57 -1.16 -1.72 116.94 122.64 2k6l h PHE 36 Ca 0.03 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 2k6l h PHE 36 Cb 1.01 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k6l h PHE 36 CO 0.04 0.21 -0.89 0.97 -2.23 0.00 0.00 178.31 176.42 2k6l h ILE 37 N 0.49 1.37 -0.31 1.41 2.10 -1.43 -2.88 117.51 118.27 2k6l h ILE 37 Ca 0.25 -2.30 0.04 0.00 1.08 0.00 0.00 64.86 63.92 2k6l h ILE 37 Cb 0.19 2.30 -0.03 0.00 -1.09 0.00 0.00 36.82 38.18 2k6l h ILE 37 CO -0.19 0.70 0.10 -0.08 -1.08 0.00 0.00 178.15 177.60 2k6l h GLU 38 N 0.29 0.23 -0.05 2.19 4.22 -0.84 -0.87 114.58 119.75 2k6l h GLU 38 Ca -0.07 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.26 2k6l h GLU 38 Cb 1.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2k6l h GLU 38 CO 0.16 0.15 -0.43 -0.44 -2.18 0.00 0.00 179.01 176.27 2k6l h ASP 39 N 0.23 0.11 -0.27 1.04 5.19 -1.39 -2.48 116.42 118.86 2k6l h ASP 39 Ca 0.14 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 2k6l h ASP 39 Cb 0.12 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2k6l h ASP 39 CO -0.15 0.53 -0.01 0.00 -3.12 0.00 0.00 179.24 176.49 2k6l h ALA 40 N 1.48 0.36 -0.23 3.45 0.00 -1.11 -2.43 119.26 120.78 2k6l h ALA 40 Ca 0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2k6l h ALA 40 Cb 0.80 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k6l h ALA 40 CO 0.06 0.11 -0.36 -0.39 0.00 0.00 0.00 179.25 178.67 2k6l h VAL 41 N 0.25 1.29 -0.52 0.00 -1.51 -1.11 -2.76 116.25 111.89 2k6l h VAL 41 Ca 0.07 -1.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.00 2k6l h VAL 41 Cb 0.45 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 2k6l h VAL 41 CO 0.02 0.47 0.14 -0.09 -1.23 0.00 0.00 177.57 176.87 2k6l h ARG 42 N 0.43 0.83 -0.49 5.19 2.43 -1.35 -1.20 114.38 120.22 2k6l h ARG 42 Ca 0.04 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 2k6l h ARG 42 Cb 0.83 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2k6l h ARG 42 CO 0.07 0.79 0.07 0.00 -1.51 0.00 0.00 179.97 179.39 2k6l h ALA 43 N 1.01 0.65 -0.29 2.80 0.00 -1.36 -2.05 119.26 120.03 2k6l h ALA 43 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k6l h ALA 43 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k6l h ALA 43 CO 0.00 0.39 0.01 1.88 0.00 0.00 0.00 179.25 181.53 2k6l h TYR 44 N 0.69 0.55 0.00 0.00 -1.99 -1.36 -2.55 116.97 112.31 2k6l h TYR 44 Ca 0.15 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2k6l h TYR 44 Cb 0.40 -0.14 -0.00 0.00 2.00 0.00 0.00 36.73 38.99 2k6l h TYR 44 CO 0.03 0.63 -0.08 -0.07 -0.00 0.00 0.00 178.16 178.67 2k6l h LEU 45 N 0.30 0.00 -0.39 3.88 3.38 -1.15 -2.32 115.31 119.02 2k6l h LEU 45 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2k6l h LEU 45 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k6l h LEU 45 CO 0.01 0.08 -0.28 0.15 0.09 0.00 0.00 178.44 178.50 2k6l h PHE 46 N 0.00 1.02 -0.37 1.13 3.04 -0.95 -1.40 116.94 119.42 2k6l h PHE 46 Ca -0.00 -0.28 -0.03 0.00 3.98 0.00 0.00 57.97 61.64 2k6l h PHE 46 Cb 0.19 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.46 2k6l h PHE 46 CO 0.00 1.07 0.11 0.93 -2.02 0.00 0.00 178.31 178.40 2k6l h GLU 47 N 0.68 0.53 0.00 1.11 4.39 -1.24 -2.07 114.58 117.97 2k6l h GLU 47 Ca 0.07 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k6l h GLU 47 Cb 0.85 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2k6l h GLU 47 CO 0.07 0.47 -0.36 0.00 -1.16 0.00 0.00 179.01 178.04 2k6l h ARG 48 N 0.52 0.00 -0.50 2.33 -0.00 -1.44 -3.17 114.38 112.12 2k6l h ARG 48 Ca 0.12 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.59 2k6l h ARG 48 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.12 2k6l h ARG 48 CO -0.01 0.00 0.25 0.00 0.00 0.00 0.00 179.97 180.21 2k6l h ALA 49 N 2.00 0.65 0.00 0.04 0.00 -0.51 -2.80 119.26 118.65 2k6l h ALA 49 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2k6l h ALA 49 Cb 1.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2k6l h ALA 49 CO 0.00 0.21 -0.89 0.28 0.00 0.00 0.00 179.25 178.85 2k6l h VAL 50 N 0.67 1.56 0.00 0.00 2.07 -1.65 -3.52 116.25 115.39 2k6l h VAL 50 Ca 0.17 -3.11 0.00 0.00 0.82 0.00 0.00 66.70 64.58 2k6l h VAL 50 Cb 0.11 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2k6l h VAL 50 CO -0.02 0.87 0.00 1.21 0.02 0.00 0.00 177.57 179.65