#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6l n ASN 2 N 0.00 0.45 -4.70 6.12 4.13 -1.26 -5.08 115.26 114.93 2k6l n ASN 2 Ca 0.00 -1.21 -0.44 0.00 1.68 0.00 0.00 54.58 54.62 2k6l n ASN 2 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2k6l n ASN 2 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2k6l n THR 3 N -0.10 0.92 -3.96 3.41 -2.24 -1.26 -4.98 114.28 106.06 2k6l n THR 3 Ca 0.00 -0.23 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 2k6l n THR 3 Cb 0.40 -1.64 -0.05 0.00 -2.10 0.00 0.00 70.33 66.94 2k6l n THR 3 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k6l s VAL 4 N 0.02 5.14 -0.16 2.28 1.01 -1.26 -5.09 120.40 122.33 2k6l s VAL 4 Ca 0.67 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.13 2k6l s VAL 4 Cb -0.60 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2k6l s VAL 4 CO 0.48 0.20 0.16 -0.60 0.00 0.00 0.00 175.10 175.34 2k6l s ARG 5 N -2.27 3.95 -0.15 2.72 3.52 -1.26 -5.08 118.95 120.38 2k6l s ARG 5 Ca 0.31 -0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.75 2k6l s ARG 5 Cb -0.13 -3.34 0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2k6l s ARG 5 CO 0.23 0.46 0.01 -1.58 -0.81 0.00 0.00 175.30 173.62 2k6l s TRP 6 N -0.13 0.98 -0.24 5.12 0.52 -1.26 -5.11 118.94 118.83 2k6l s TRP 6 Ca 0.12 -0.65 -0.08 0.00 0.02 0.00 0.00 56.10 55.51 2k6l s TRP 6 Cb -0.12 -0.98 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 2k6l s TRP 6 CO 0.01 -0.51 0.08 0.54 0.02 0.00 0.00 176.95 177.08 2k6l s ASN 7 N 1.87 5.27 0.13 2.95 2.20 -1.26 -5.08 114.94 121.02 2k6l s ASN 7 Ca 0.01 -0.15 0.01 0.00 -0.94 0.00 0.00 52.86 51.79 2k6l s ASN 7 Cb -0.15 -1.94 -0.04 0.00 -2.00 0.00 0.00 41.25 37.11 2k6l s ASN 7 CO -0.07 -0.01 -0.01 0.27 -2.94 0.00 0.00 177.10 174.34 2k6l s ILE 8 N 1.47 0.51 -0.25 0.54 -4.36 -1.26 -5.13 121.20 112.73 2k6l s ILE 8 Ca 0.06 -1.94 -0.14 0.00 -0.26 0.00 0.00 60.65 58.37 2k6l s ILE 8 Cb -0.15 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 2k6l s ILE 8 CO 0.04 -0.63 0.32 0.00 0.24 0.00 0.00 174.94 174.91 2k6l s ALA 9 N -3.76 3.57 0.12 2.27 0.00 -1.26 -5.06 121.76 117.63 2k6l s ALA 9 Ca 0.19 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2k6l s ALA 9 Cb 0.06 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 2k6l s ALA 9 CO -0.00 -0.47 0.06 0.14 0.00 0.00 0.00 175.76 175.48 2k6l s VAL 10 N 1.66 0.12 0.22 0.00 -7.23 -1.26 -5.13 120.40 108.78 2k6l s VAL 10 Ca 0.14 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 2k6l s VAL 10 Cb -0.15 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.78 2k6l s VAL 10 CO 0.09 -0.55 1.01 -0.55 -0.31 0.00 0.00 175.10 174.78 2k6l s SER 11 N -3.02 7.47 0.00 4.85 0.15 -1.26 -4.85 113.70 117.04 2k6l s SER 11 Ca 0.20 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.88 2k6l s SER 11 Cb 0.07 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2k6l s SER 11 CO -0.01 -0.01 0.55 -0.81 1.20 0.00 0.00 173.24 174.17 2k6l n PRO 12 N 1.78 0.00 0.18 5.44 -0.04 -1.26 -0.62 135.00 140.48 2k6l n PRO 12 Ca -0.00 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.66 2k6l n PRO 12 Cb 0.47 -1.64 0.30 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.17 3.54 3.32 -2.00 -3.04 116.42 118.06 2k6l h ASP 13 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 2k6l h ASP 13 Cb 0.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.84 2k6l h ASP 13 CO 0.00 0.40 -0.75 -0.37 -1.72 0.00 0.00 179.24 176.80 2k6l h VAL 14 N 0.00 1.27 -0.07 -1.35 -1.51 -1.24 -2.50 116.25 110.86 2k6l h VAL 14 Ca -0.00 -1.94 -0.01 0.00 -1.23 0.00 0.00 66.70 63.51 2k6l h VAL 14 Cb 0.96 1.94 -0.00 0.00 -2.13 0.00 0.00 31.29 32.05 2k6l h VAL 14 CO 0.05 0.62 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.22 2k6l h ASP 15 N 0.56 0.13 -0.75 4.19 3.58 -1.73 -1.12 116.42 121.28 2k6l h ASP 15 Ca -0.05 -0.35 0.04 0.00 0.42 0.00 0.00 57.03 57.09 2k6l h ASP 15 Cb 1.38 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.35 2k6l h ASP 15 CO 0.16 0.45 0.47 -0.61 -2.88 0.00 0.00 179.24 176.83 2k6l h GLN 16 N -0.20 0.88 -0.48 0.28 5.75 -1.60 -2.07 115.11 117.67 2k6l h GLN 16 Ca 0.02 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.35 2k6l h GLN 16 Cb 0.39 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2k6l h GLN 16 CO 0.01 0.58 -0.14 0.66 -2.65 0.00 0.00 178.83 177.29 2k6l h SER 17 N 0.91 0.92 -0.85 -0.69 4.64 -1.38 -2.93 113.55 114.16 2k6l h SER 17 Ca 0.31 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2k6l h SER 17 Cb 0.04 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2k6l h SER 17 CO -0.12 1.05 0.56 0.58 -0.87 0.00 0.00 176.83 178.04 2k6l h VAL 18 N 0.81 1.20 -0.43 0.95 2.07 -0.55 -1.15 116.25 119.16 2k6l h VAL 18 Ca 0.13 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2k6l h VAL 18 Cb 0.67 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2k6l h VAL 18 CO 0.05 0.21 0.21 0.03 0.02 0.00 0.00 177.57 178.09 2k6l h ARG 19 N 1.14 0.62 -0.58 1.57 2.47 -1.25 -2.15 114.38 116.20 2k6l h ARG 19 Ca 0.32 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 2k6l h ARG 19 Cb -0.10 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 2k6l h ARG 19 CO -0.08 0.53 0.26 0.52 0.56 0.00 0.00 179.97 181.76 2k6l h MET 20 N 0.55 0.84 0.05 0.04 2.86 -1.28 -2.02 114.93 115.97 2k6l h MET 20 Ca 0.15 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2k6l h MET 20 Cb 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2k6l h MET 20 CO -0.02 0.70 -0.06 0.35 1.06 0.00 0.00 176.91 178.94 2k6l h PHE 21 N 0.79 -0.15 -0.79 -0.22 3.57 -0.95 -2.52 116.94 116.66 2k6l h PHE 21 Ca 0.20 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 2k6l h PHE 21 Cb 0.14 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2k6l h PHE 21 CO 0.00 -0.10 0.42 -0.84 -2.23 0.00 0.00 178.31 175.56 2k6l h ILE 22 N -0.13 1.24 -0.47 1.41 -0.00 -1.31 -1.15 117.51 117.09 2k6l h ILE 22 Ca 0.01 -0.61 0.10 0.00 -0.00 0.00 0.00 64.86 64.36 2k6l h ILE 22 Cb 0.13 0.19 -0.02 0.00 -0.00 0.00 0.00 36.82 37.11 2k6l h ILE 22 CO -0.03 0.27 0.32 0.00 -0.00 0.00 0.00 178.15 178.72 2k6l h ALA 23 N 1.35 2.18 -0.00 0.16 0.00 -0.98 1.33 119.26 123.30 2k6l h ALA 23 Ca 0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2k6l h ALA 23 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2k6l h ALA 23 CO -0.04 -0.30 -0.82 0.00 0.00 0.00 0.00 179.25 178.08 2k6l h ALA 24 N 1.76 0.62 -0.02 0.00 0.00 -0.82 -3.12 119.26 117.68 2k6l h ALA 24 Ca 0.22 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k6l h ALA 24 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k6l h ALA 24 CO -0.04 0.96 -0.18 1.04 0.00 0.00 0.00 179.25 181.03 2k6l n GLN 25 N -3.62 1.63 0.00 0.00 6.02 0.57 -5.05 117.38 116.93 2k6l n GLN 25 Ca -0.02 -1.24 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 2k6l n GLN 25 Cb 0.78 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.57 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k6l n GLY 26 N 1.33 0.39 0.00 1.08 0.00 0.43 -5.05 105.19 103.37 2k6l n GLY 26 Ca 0.13 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.66 0.27 -0.02 0.00 -1.26 -3.08 105.19 101.76 2k6l n GLY 27 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.34 0.00 -0.02 0.00 -1.26 -4.99 105.19 98.58 2k6l n GLY 28 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.78 0.00 -0.05 1.61 1.74 -1.26 -5.09 116.66 109.83 2k6l n ARG 29 Ca -0.42 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.65 2k6l n ARG 29 Cb 0.83 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.28 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 0.00 -0.88 -3.61 5.56 5.02 -1.26 -5.09 118.16 117.90 2k6l n LYS 30 Ca 0.00 -0.08 -0.03 0.00 -2.02 0.00 0.00 58.31 56.18 2k6l n LYS 30 Cb 0.00 -0.07 -0.06 0.00 -0.02 0.00 0.00 35.03 34.89 2k6l n LYS 30 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k6l s GLY 31 N -2.69 -0.45 -0.22 0.72 0.00 -1.26 -4.90 107.32 98.52 2k6l s GLY 31 Ca 0.03 2.66 -0.01 0.00 0.00 0.00 0.00 44.72 47.40 2k6l s GLY 31 CO 0.02 2.73 -0.11 0.51 0.00 0.00 0.00 173.10 176.26 2k6l s ASP 32 N 2.00 3.93 0.43 1.64 1.47 -1.26 -4.97 116.67 119.91 2k6l s ASP 32 Ca -0.08 -0.75 0.20 0.00 1.18 0.00 0.00 52.55 53.11 2k6l s ASP 32 Cb -0.07 -1.61 1.00 0.00 -0.34 0.00 0.00 42.92 41.90 2k6l s ASP 32 CO -0.18 -0.07 1.90 -0.07 0.68 0.00 0.00 175.17 177.43 2k6l h LEU 33 N 7.99 0.00 -1.62 2.11 -0.00 -2.00 -2.81 115.31 118.97 2k6l h LEU 33 Ca -0.38 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.60 2k6l h LEU 33 Cb 1.12 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.75 2k6l h LEU 33 CO 0.59 0.26 0.41 0.28 -0.00 0.00 0.00 178.44 179.99 2k6l h SER 34 N 0.00 0.39 -0.31 -0.43 0.02 -2.01 -1.69 113.55 109.53 2k6l h SER 34 Ca -0.00 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2k6l h SER 34 Cb 0.59 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2k6l h SER 34 CO 0.03 0.23 -0.43 0.03 -1.14 0.00 0.00 176.83 175.56 2k6l h ARG 35 N 0.43 0.83 -0.63 3.45 3.08 -1.93 -1.83 114.38 117.79 2k6l h ARG 35 Ca 0.29 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.91 2k6l h ARG 35 Cb 0.55 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 2k6l h ARG 35 CO -0.08 1.12 0.33 0.35 -1.07 0.00 0.00 179.97 180.63 2k6l h PHE 36 N 0.61 0.61 -0.05 3.04 3.57 -1.41 -1.88 116.94 121.43 2k6l h PHE 36 Ca 0.03 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.32 2k6l h PHE 36 Cb 1.03 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.60 2k6l h PHE 36 CO 0.07 0.28 -0.92 0.97 -2.23 0.00 0.00 178.31 176.48 2k6l h ILE 37 N 0.62 1.31 -0.30 1.41 -0.00 -1.51 -3.00 117.51 116.05 2k6l h ILE 37 Ca 0.28 -2.21 0.04 0.00 -0.00 0.00 0.00 64.86 62.97 2k6l h ILE 37 Cb 0.20 2.26 -0.04 0.00 -0.00 0.00 0.00 36.82 39.24 2k6l h ILE 37 CO -0.19 0.68 0.08 -0.33 -0.00 0.00 0.00 178.15 178.39 2k6l h GLU 38 N 0.39 0.20 -0.10 2.19 3.07 -0.90 -0.98 114.58 118.44 2k6l h GLU 38 Ca -0.09 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2k6l h GLU 38 Cb 1.56 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.41 2k6l h GLU 38 CO 0.18 0.13 -0.22 0.22 -1.40 0.00 0.00 179.01 177.92 2k6l h ASP 39 N 0.20 0.16 -0.20 1.42 1.82 -1.43 -1.55 116.42 116.84 2k6l h ASP 39 Ca 0.14 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 2k6l h ASP 39 Cb 0.12 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2k6l h ASP 39 CO -0.16 0.39 -0.02 0.00 -1.61 0.00 0.00 179.24 177.84 2k6l h ALA 40 N 1.62 0.28 -0.13 -0.78 0.00 -1.12 -1.44 119.26 117.69 2k6l h ALA 40 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2k6l h ALA 40 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k6l h ALA 40 CO 0.03 0.03 -0.64 -0.39 0.00 0.00 0.00 179.25 178.28 2k6l h VAL 41 N 0.12 1.35 -0.32 0.00 -1.51 -1.05 -3.01 116.25 111.84 2k6l h VAL 41 Ca 0.06 -1.95 -0.09 0.00 -1.23 0.00 0.00 66.70 63.48 2k6l h VAL 41 Cb 0.45 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.53 2k6l h VAL 41 CO 0.02 0.60 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.71 2k6l h ARG 42 N 0.34 0.66 -0.03 5.19 2.43 -1.26 -1.37 114.38 120.35 2k6l h ARG 42 Ca -0.01 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2k6l h ARG 42 Cb 1.19 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2k6l h ARG 42 CO 0.11 0.88 0.01 0.00 -1.51 0.00 0.00 179.97 179.46 2k6l h ALA 43 N 0.77 0.03 -0.20 2.80 0.00 -1.28 -2.63 119.26 118.75 2k6l h ALA 43 Ca 0.07 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2k6l h ALA 43 Cb 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k6l h ALA 43 CO 0.05 -0.40 -0.68 0.10 0.00 0.00 0.00 179.25 178.31 2k6l h TYR 44 N -0.09 1.02 -0.27 0.00 -0.00 -1.58 -2.96 116.97 113.09 2k6l h TYR 44 Ca 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 58.73 58.40 2k6l h TYR 44 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 36.68 2k6l h TYR 44 CO -0.03 1.24 0.22 -0.07 -0.00 0.00 0.00 178.16 179.52 2k6l h LEU 45 N 0.56 0.00 -0.16 0.10 3.38 -1.23 -1.12 115.31 116.85 2k6l h LEU 45 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 2k6l h LEU 45 Cb 1.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.06 2k6l h LEU 45 CO 0.14 0.00 -0.83 0.15 0.09 0.00 0.00 178.44 177.99 2k6l h PHE 46 N 0.00 0.99 -0.28 1.13 3.57 -1.30 -2.27 116.94 118.78 2k6l h PHE 46 Ca 0.13 -0.46 0.05 0.00 3.53 0.00 0.00 57.97 61.22 2k6l h PHE 46 Cb 0.56 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2k6l h PHE 46 CO 0.00 1.29 -0.04 1.49 -2.23 0.00 0.00 178.31 178.81 2k6l h GLU 47 N 0.47 0.03 0.00 1.11 4.81 -1.13 -0.70 114.58 119.17 2k6l h GLU 47 Ca -0.07 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k6l h GLU 47 Cb 1.46 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2k6l h GLU 47 CO 0.17 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.46 2k6l h ARG 48 N 0.03 0.00 -0.51 1.92 3.08 -1.59 -2.94 114.38 114.36 2k6l h ARG 48 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 2k6l h ARG 48 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2k6l h ARG 48 CO -0.27 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.64 2k6l h ALA 49 N 2.03 0.69 0.00 0.04 0.00 -0.52 -2.99 119.26 118.52 2k6l h ALA 49 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 2k6l h ALA 49 Cb 0.74 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k6l h ALA 49 CO 0.00 0.51 -0.86 -0.24 0.00 0.00 0.00 179.25 178.65 2k6l h VAL 50 N 0.78 1.45 0.00 0.00 3.04 -1.41 -3.51 116.25 116.60 2k6l h VAL 50 Ca 0.15 -3.06 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 2k6l h VAL 50 Cb 0.52 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 2k6l h VAL 50 CO 0.03 0.83 0.00 1.21 -1.01 0.00 0.00 177.57 178.62