#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 -0.23 0.13 3.17 3.84 -1.26 -5.15 114.94 115.45 2k6l s ASN 2 Ca 0.00 -0.11 -0.22 0.00 0.21 0.00 0.00 52.86 52.74 2k6l s ASN 2 Cb 0.00 0.41 -0.07 0.00 -0.55 0.00 0.00 41.25 41.04 2k6l s ASN 2 CO 0.00 -0.68 0.69 0.42 -2.79 0.00 0.00 177.10 174.74 2k6l s THR 3 N -2.71 4.53 0.04 -5.21 -4.23 -1.26 -5.07 115.64 101.74 2k6l s THR 3 Ca -0.04 1.47 -0.00 0.00 -1.18 0.00 0.00 61.69 61.94 2k6l s THR 3 Cb -0.00 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 2k6l s THR 3 CO -0.04 0.51 0.18 -0.69 -0.54 0.00 0.00 174.62 174.05 2k6l s VAL 4 N -1.16 5.27 -0.42 2.29 1.01 -1.26 -5.06 120.40 121.07 2k6l s VAL 4 Ca 0.33 -0.38 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2k6l s VAL 4 Cb -0.21 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2k6l s VAL 4 CO 0.23 0.19 0.70 -0.60 0.00 0.00 0.00 175.10 175.62 2k6l s ARG 5 N -2.32 3.44 -0.05 2.72 3.52 -1.26 -5.04 118.95 119.96 2k6l s ARG 5 Ca 0.32 -0.15 -0.13 0.00 -0.13 0.00 0.00 55.73 55.65 2k6l s ARG 5 Cb -0.13 -3.91 -0.05 0.00 -1.56 0.00 0.00 34.95 29.31 2k6l s ARG 5 CO 0.24 -0.97 0.33 -1.58 -0.81 0.00 0.00 175.30 172.51 2k6l s TRP 6 N 2.97 3.67 -0.20 5.12 0.52 -1.26 -5.07 118.94 124.68 2k6l s TRP 6 Ca 0.26 0.83 0.00 0.00 0.02 0.00 0.00 56.10 57.21 2k6l s TRP 6 Cb -0.13 -2.21 0.05 0.00 -1.15 0.00 0.00 33.47 30.03 2k6l s TRP 6 CO 0.19 0.62 -0.06 0.54 0.02 0.00 0.00 176.95 178.27 2k6l s ASN 7 N -0.89 3.35 0.01 2.95 2.20 -1.26 -5.12 114.94 116.18 2k6l s ASN 7 Ca 0.21 -0.92 -0.03 0.00 -0.94 0.00 0.00 52.86 51.18 2k6l s ASN 7 Cb -0.15 -1.06 -0.01 0.00 -2.00 0.00 0.00 41.25 38.03 2k6l s ASN 7 CO 0.10 -0.20 0.04 0.27 -2.94 0.00 0.00 177.10 174.36 2k6l s ILE 8 N 1.51 0.08 -0.12 0.54 -4.36 -1.26 -5.15 121.20 112.44 2k6l s ILE 8 Ca -0.02 -0.68 -0.03 0.00 -0.26 0.00 0.00 60.65 59.65 2k6l s ILE 8 Cb -0.17 -0.28 -0.03 0.00 1.25 0.00 0.00 42.46 43.22 2k6l s ILE 8 CO -0.07 -0.37 0.01 0.00 0.24 0.00 0.00 174.94 174.74 2k6l s ALA 9 N -1.17 3.27 0.06 2.27 0.00 -1.26 -5.11 121.76 119.82 2k6l s ALA 9 Ca -0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2k6l s ALA 9 Cb -0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.43 2k6l s ALA 9 CO -0.00 0.44 0.04 0.14 0.00 0.00 0.00 175.76 176.38 2k6l s VAL 10 N -0.41 0.19 0.44 0.00 -7.23 -1.26 -5.14 120.40 106.99 2k6l s VAL 10 Ca 0.08 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.43 2k6l s VAL 10 Cb -0.12 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.30 2k6l s VAL 10 CO 0.02 -0.88 1.04 -0.55 -0.31 0.00 0.00 175.10 174.43 2k6l s SER 11 N -2.86 6.57 0.00 4.85 0.15 -1.26 -4.86 113.70 116.28 2k6l s SER 11 Ca 0.06 1.99 0.00 0.00 0.70 0.00 0.00 55.95 58.69 2k6l s SER 11 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2k6l s SER 11 CO -0.10 -0.62 0.62 -0.81 1.20 0.00 0.00 173.24 173.53 2k6l n PRO 12 N -0.48 0.00 0.02 5.44 -0.04 -1.26 -1.64 135.00 137.04 2k6l n PRO 12 Ca 0.07 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 2k6l n PRO 12 Cb 0.51 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.64 -0.00 3.54 3.58 -2.00 -2.69 116.42 119.49 2k6l h ASP 13 Ca 0.00 -0.40 -0.18 0.00 0.42 0.00 0.00 57.03 56.87 2k6l h ASP 13 Cb 0.03 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2k6l h ASP 13 CO 0.00 1.15 -0.63 -0.37 -2.88 0.00 0.00 179.24 176.51 2k6l h VAL 14 N 0.39 1.32 -0.11 2.25 -1.51 -1.69 -2.75 116.25 114.16 2k6l h VAL 14 Ca -0.02 -1.89 -0.02 0.00 -1.23 0.00 0.00 66.70 63.53 2k6l h VAL 14 Cb 1.27 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 32.28 2k6l h VAL 14 CO 0.13 0.59 -0.02 -0.78 -1.23 0.00 0.00 177.57 176.26 2k6l h ASP 15 N 0.45 0.20 -0.32 4.19 1.82 -1.67 -1.20 116.42 119.89 2k6l h ASP 15 Ca -0.01 -0.35 0.03 0.00 -0.39 0.00 0.00 57.03 56.31 2k6l h ASP 15 Cb 1.20 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 2k6l h ASP 15 CO 0.12 0.50 0.12 -0.61 -1.61 0.00 0.00 179.24 177.76 2k6l h GLN 16 N -0.11 0.26 -0.52 0.28 4.15 -1.52 -1.79 115.11 115.86 2k6l h GLN 16 Ca 0.03 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2k6l h GLN 16 Cb 0.41 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 2k6l h GLN 16 CO 0.01 0.17 0.11 0.77 -1.93 0.00 0.00 178.83 177.96 2k6l h SER 17 N 0.27 0.76 -0.43 -0.69 0.02 -1.47 -2.69 113.55 109.32 2k6l h SER 17 Ca 0.14 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2k6l h SER 17 Cb 0.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2k6l h SER 17 CO -0.14 0.76 0.28 0.58 -1.14 0.00 0.00 176.83 177.17 2k6l h VAL 18 N 0.78 1.09 -0.31 2.27 2.07 -0.42 -1.08 116.25 120.66 2k6l h VAL 18 Ca 0.17 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 2k6l h VAL 18 Cb 0.31 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2k6l h VAL 18 CO 0.00 0.10 0.06 0.03 0.02 0.00 0.00 177.57 177.79 2k6l h ARG 19 N 0.56 0.44 -0.26 1.57 3.08 -1.10 -2.56 114.38 116.11 2k6l h ARG 19 Ca 0.16 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2k6l h ARG 19 Cb -0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2k6l h ARG 19 CO -0.04 0.42 -0.16 0.52 -1.07 0.00 0.00 179.97 179.64 2k6l h MET 20 N 0.44 0.57 -0.03 0.04 2.86 -1.03 -2.97 114.93 114.81 2k6l h MET 20 Ca 0.10 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2k6l h MET 20 Cb 0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2k6l h MET 20 CO -0.00 0.84 -0.08 0.35 1.06 0.00 0.00 176.91 179.08 2k6l h PHE 21 N 0.29 -0.19 -0.86 -0.22 3.04 -0.83 -2.24 116.94 115.93 2k6l h PHE 21 Ca 0.05 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.09 2k6l h PHE 21 Cb 0.68 0.09 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 2k6l h PHE 21 CO 0.07 -0.12 0.56 -0.84 -2.02 0.00 0.00 178.31 175.96 2k6l h ILE 22 N -0.12 1.01 -0.80 1.41 3.07 -1.53 -0.73 117.51 119.81 2k6l h ILE 22 Ca 0.04 -0.31 0.13 0.00 1.55 0.00 0.00 64.86 66.27 2k6l h ILE 22 Cb 0.18 0.03 -0.06 0.00 -0.27 0.00 0.00 36.82 36.70 2k6l h ILE 22 CO -0.10 0.16 0.53 0.00 -1.05 0.00 0.00 178.15 177.69 2k6l h ALA 23 N 1.55 1.93 0.00 0.16 0.00 -1.23 1.20 119.26 122.87 2k6l h ALA 23 Ca 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 2k6l h ALA 23 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k6l h ALA 23 CO -0.15 -0.13 -0.51 0.00 0.00 0.00 0.00 179.25 178.46 2k6l h ALA 24 N 1.62 0.88 -0.06 0.00 0.00 -1.04 -2.95 119.26 117.72 2k6l h ALA 24 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k6l h ALA 24 Cb 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k6l h ALA 24 CO -0.15 0.64 0.00 1.04 0.00 0.00 0.00 179.25 180.78 2k6l n GLN 25 N -3.53 2.26 -0.19 0.00 1.13 0.10 -5.07 117.38 112.08 2k6l n GLN 25 Ca -0.00 -1.83 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 2k6l n GLN 25 Cb 0.61 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.49 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 1.34 -3.05 0.00 1.08 0.00 0.38 -5.05 105.19 99.89 2k6l n GLY 26 Ca 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.35 2.80 0.00 -0.02 0.00 -1.26 -4.74 105.19 100.61 2k6l n GLY 27 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.36 2.73 4.00 -0.02 0.00 -1.26 -5.04 105.19 107.96 2k6l n GLY 28 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2k6l n GLY 28 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6l s ARG 29 N 0.00 2.72 0.55 1.61 3.03 -1.26 -5.13 118.95 120.47 2k6l s ARG 29 Ca 0.00 -1.15 0.04 0.00 2.03 0.00 0.00 55.73 56.66 2k6l s ARG 29 Cb 0.00 -2.68 0.04 0.00 -1.03 0.00 0.00 34.95 31.28 2k6l s ARG 29 CO 0.00 -0.42 0.34 0.15 -1.13 0.00 0.00 175.30 174.24 2k6l s LYS 30 N -4.48 2.24 -1.18 3.89 1.02 -1.26 -4.74 119.74 115.23 2k6l s LYS 30 Ca 0.56 -2.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.12 2k6l s LYS 30 Cb -0.10 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2k6l s LYS 30 CO 0.35 -0.62 0.72 0.41 -0.92 0.00 0.00 175.35 175.28 2k6l n GLY 31 N -1.71 -0.90 0.02 -3.33 0.00 -1.26 -4.85 105.19 93.15 2k6l n GLY 31 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.31 0.35 -0.02 1.61 5.68 -1.26 -4.69 116.55 115.92 2k6l n ASP 32 Ca -0.11 -0.68 -0.13 0.00 -0.50 0.00 0.00 54.79 53.37 2k6l n ASP 32 Cb 0.57 0.74 -0.10 0.00 -1.14 0.00 0.00 41.12 41.20 2k6l n ASP 32 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2k6l h LEU 33 N 0.09 0.02 -1.22 -2.12 6.46 -1.98 -2.29 115.31 114.27 2k6l h LEU 33 Ca 0.00 -0.53 0.12 0.00 -0.12 0.00 0.00 57.88 57.36 2k6l h LEU 33 Cb 0.05 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 39.90 2k6l h LEU 33 CO 0.00 0.54 0.58 0.77 -0.62 0.00 0.00 178.44 179.71 2k6l h SER 34 N -0.50 0.74 -0.02 1.25 4.64 -1.99 -0.46 113.55 117.21 2k6l h SER 34 Ca 0.00 0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 2k6l h SER 34 Cb 0.54 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2k6l h SER 34 CO 0.00 0.40 -0.46 0.03 -0.87 0.00 0.00 176.83 175.93 2k6l h ARG 35 N 0.80 0.56 -0.51 4.77 3.08 -1.82 -1.93 114.38 119.33 2k6l h ARG 35 Ca 0.44 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2k6l h ARG 35 Cb 0.57 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 2k6l h ARG 35 CO -0.20 0.91 0.24 0.35 -1.07 0.00 0.00 179.97 180.19 2k6l h PHE 36 N 0.45 0.43 -0.03 3.04 3.04 -0.48 -1.41 116.94 121.99 2k6l h PHE 36 Ca 0.03 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.76 2k6l h PHE 36 Cb 0.98 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.38 2k6l h PHE 36 CO 0.04 0.20 -0.94 0.97 -2.02 0.00 0.00 178.31 176.56 2k6l h ILE 37 N 0.46 1.34 -0.38 1.41 2.10 -1.45 -2.99 117.51 118.00 2k6l h ILE 37 Ca 0.23 -2.28 0.04 0.00 1.08 0.00 0.00 64.86 63.93 2k6l h ILE 37 Cb 0.17 2.31 -0.04 0.00 -1.09 0.00 0.00 36.82 38.17 2k6l h ILE 37 CO -0.18 0.69 0.16 -0.08 -1.08 0.00 0.00 178.15 177.66 2k6l h GLU 38 N 0.34 0.33 0.00 2.19 4.57 -0.94 -0.84 114.58 120.23 2k6l h GLU 38 Ca -0.09 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 2k6l h GLU 38 Cb 1.57 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 2k6l h GLU 38 CO 0.18 0.22 -0.30 0.22 -1.18 0.00 0.00 179.01 178.14 2k6l h ASP 39 N 0.34 0.00 -0.13 1.04 3.58 -1.33 -2.15 116.42 117.75 2k6l h ASP 39 Ca 0.17 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 2k6l h ASP 39 Cb 0.12 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 2k6l h ASP 39 CO -0.15 0.30 -0.15 0.00 -2.88 0.00 0.00 179.24 176.36 2k6l h ALA 40 N 1.70 0.20 -0.17 -0.78 0.00 -1.06 -2.43 119.26 116.71 2k6l h ALA 40 Ca -0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2k6l h ALA 40 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k6l h ALA 40 CO 0.04 0.09 -0.50 -0.39 0.00 0.00 0.00 179.25 178.49 2k6l h VAL 41 N -0.05 1.33 -0.60 0.00 -1.51 -1.11 -2.84 116.25 111.47 2k6l h VAL 41 Ca 0.02 -1.73 -0.10 0.00 -1.23 0.00 0.00 66.70 63.66 2k6l h VAL 41 Cb 0.69 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 2k6l h VAL 41 CO 0.04 0.53 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.80 2k6l h ARG 42 N 0.36 1.06 -0.42 5.19 1.12 -1.41 -1.25 114.38 119.04 2k6l h ARG 42 Ca 0.02 -0.34 -0.07 0.00 -1.11 0.00 0.00 59.98 58.47 2k6l h ARG 42 Cb 1.00 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.86 2k6l h ARG 42 CO 0.09 1.04 -0.01 0.00 -3.11 0.00 0.00 179.97 177.98 2k6l h ALA 43 N 1.00 0.57 -0.26 2.80 0.00 -1.37 -2.35 119.26 119.64 2k6l h ALA 43 Ca 0.17 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2k6l h ALA 43 Cb 0.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k6l h ALA 43 CO 0.03 0.37 -0.28 1.88 0.00 0.00 0.00 179.25 181.25 2k6l h TYR 44 N 0.58 0.79 -0.58 0.00 0.05 -1.42 -3.02 116.97 113.37 2k6l h TYR 44 Ca 0.12 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 2k6l h TYR 44 Cb 0.50 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2k6l h TYR 44 CO 0.04 0.97 0.35 -0.07 -1.05 0.00 0.00 178.16 178.40 2k6l h LEU 45 N 0.38 0.69 -0.95 3.88 3.38 -1.20 -2.11 115.31 119.37 2k6l h LEU 45 Ca 0.04 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2k6l h LEU 45 Cb 0.85 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2k6l h LEU 45 CO 0.07 0.54 -0.16 0.15 0.09 0.00 0.00 178.44 179.12 2k6l h PHE 46 N 0.80 0.63 -0.76 1.13 3.04 -1.35 -2.11 116.94 118.33 2k6l h PHE 46 Ca 0.21 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 62.01 2k6l h PHE 46 Cb -0.03 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 2k6l h PHE 46 CO 0.00 0.71 0.32 1.49 -2.02 0.00 0.00 178.31 178.81 2k6l h GLU 47 N 0.52 1.12 0.00 1.11 4.81 -1.25 -2.05 114.58 118.84 2k6l h GLU 47 Ca 0.09 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k6l h GLU 47 Cb 0.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2k6l h GLU 47 CO 0.04 0.90 -0.05 0.54 -0.73 0.00 0.00 179.01 179.71 2k6l n ARG 48 N -4.29 0.22 -0.01 1.92 1.74 -1.08 -3.74 116.66 111.42 2k6l n ARG 48 Ca 0.07 0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2k6l n ARG 48 Cb 0.17 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 29.80 2k6l n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k6l h ALA 49 N 2.61 0.06 -0.57 7.54 0.00 -0.67 -3.09 119.26 125.14 2k6l h ALA 49 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k6l h ALA 49 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k6l h ALA 49 CO 0.00 -0.29 0.20 0.28 0.00 0.00 0.00 179.25 179.45 2k6l h VAL 50 N -0.18 1.23 -0.01 0.00 2.07 -1.64 -3.52 116.25 114.21 2k6l h VAL 50 Ca 0.01 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2k6l h VAL 50 Cb 0.29 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2k6l h VAL 50 CO 0.00 0.29 0.00 -0.62 0.02 0.00 0.00 177.57 177.26