#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 2.74 -0.01 3.17 3.84 -1.26 -5.12 114.94 118.30 2k6l s ASN 2 Ca 0.00 -0.43 -0.21 0.00 0.21 0.00 0.00 52.86 52.43 2k6l s ASN 2 Cb 0.00 -0.36 -0.05 0.00 -0.55 0.00 0.00 41.25 40.29 2k6l s ASN 2 CO 0.00 0.28 0.63 0.42 -2.79 0.00 0.00 177.10 175.64 2k6l s THR 3 N -0.49 4.92 0.09 -5.21 -4.23 -1.26 -5.06 115.64 104.41 2k6l s THR 3 Ca 0.07 1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 61.86 2k6l s THR 3 Cb -0.09 -3.97 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 2k6l s THR 3 CO -0.00 0.38 0.31 -0.69 -0.54 0.00 0.00 174.62 174.07 2k6l s VAL 4 N 0.04 5.25 -0.34 2.29 1.01 -1.26 -5.05 120.40 122.34 2k6l s VAL 4 Ca 0.33 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 2k6l s VAL 4 Cb -0.18 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.59 2k6l s VAL 4 CO 0.18 0.13 0.83 -0.60 0.00 0.00 0.00 175.10 175.63 2k6l s ARG 5 N -2.44 3.86 -0.24 2.72 6.06 -1.26 -5.02 118.95 122.64 2k6l s ARG 5 Ca 0.37 0.50 0.01 0.00 -2.50 0.00 0.00 55.73 54.11 2k6l s ARG 5 Cb -0.13 -3.77 0.04 0.00 0.06 0.00 0.00 34.95 31.15 2k6l s ARG 5 CO 0.24 -0.80 -0.12 -1.58 -2.50 0.00 0.00 175.30 170.54 2k6l s TRP 6 N 3.14 3.08 -0.27 5.12 0.52 -1.26 -5.08 118.94 124.19 2k6l s TRP 6 Ca 0.34 -1.92 -0.06 0.00 0.02 0.00 0.00 56.10 54.47 2k6l s TRP 6 Cb -0.13 -1.97 -0.00 0.00 -1.15 0.00 0.00 33.47 30.22 2k6l s TRP 6 CO 0.15 -0.82 0.05 0.54 0.02 0.00 0.00 176.95 176.89 2k6l s ASN 7 N 1.22 4.94 0.04 2.95 4.22 -1.26 -5.08 114.94 121.97 2k6l s ASN 7 Ca -0.03 -0.53 0.00 0.00 -2.14 0.00 0.00 52.86 50.17 2k6l s ASN 7 Cb -0.17 -1.86 -0.03 0.00 1.28 0.00 0.00 41.25 40.47 2k6l s ASN 7 CO -0.07 -0.12 -0.04 0.27 -2.04 0.00 0.00 177.10 175.10 2k6l s ILE 8 N 1.52 0.28 -0.18 0.54 -4.36 -1.26 -5.14 121.20 112.60 2k6l s ILE 8 Ca 0.04 -1.32 -0.10 0.00 -0.26 0.00 0.00 60.65 59.01 2k6l s ILE 8 Cb -0.16 -0.86 -0.05 0.00 1.25 0.00 0.00 42.46 42.65 2k6l s ILE 8 CO 0.01 -0.67 0.15 0.00 0.24 0.00 0.00 174.94 174.67 2k6l s ALA 9 N -2.43 3.71 0.14 2.27 0.00 -1.26 -5.09 121.76 119.10 2k6l s ALA 9 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2k6l s ALA 9 Cb -0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2k6l s ALA 9 CO -0.04 0.23 0.02 0.14 0.00 0.00 0.00 175.76 176.11 2k6l s VAL 10 N 0.14 0.35 -0.13 0.00 -7.23 -1.26 -5.11 120.40 107.17 2k6l s VAL 10 Ca 0.10 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2k6l s VAL 10 Cb -0.11 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2k6l s VAL 10 CO -0.00 -0.52 1.29 -0.55 -0.31 0.00 0.00 175.10 175.01 2k6l s SER 11 N -3.09 6.94 0.24 4.85 0.15 -1.26 -4.83 113.70 116.70 2k6l s SER 11 Ca 0.22 1.78 0.02 0.00 0.70 0.00 0.00 55.95 58.68 2k6l s SER 11 Cb 0.07 -2.54 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 2k6l s SER 11 CO 0.02 -0.74 0.80 -0.81 1.20 0.00 0.00 173.24 173.71 2k6l n PRO 12 N 6.33 0.02 0.15 5.44 -0.04 -1.26 0.91 135.00 146.56 2k6l n PRO 12 Ca 0.14 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 2k6l n PRO 12 Cb 0.45 -2.15 0.20 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.35 3.54 3.58 -2.01 -3.04 116.42 118.84 2k6l h ASP 13 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 2k6l h ASP 13 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2k6l h ASP 13 CO 0.00 0.56 -0.97 -0.37 -2.88 0.00 0.00 179.24 175.58 2k6l h VAL 14 N 0.00 1.40 -0.07 2.25 -1.51 0.16 -2.97 116.25 115.52 2k6l h VAL 14 Ca -0.01 -2.49 -0.01 0.00 -1.23 0.00 0.00 66.70 62.96 2k6l h VAL 14 Cb 1.10 2.46 -0.00 0.00 -2.13 0.00 0.00 31.29 32.72 2k6l h VAL 14 CO 0.07 0.74 0.01 -0.78 -1.23 0.00 0.00 177.57 176.38 2k6l h ASP 15 N 0.22 0.11 -0.95 4.19 1.82 -1.65 -1.29 116.42 118.88 2k6l h ASP 15 Ca -0.09 -0.27 0.05 0.00 -0.39 0.00 0.00 57.03 56.33 2k6l h ASP 15 Cb 1.62 -0.03 -0.06 0.00 0.68 0.00 0.00 39.33 41.54 2k6l h ASP 15 CO 0.17 0.36 0.62 1.56 -1.61 0.00 0.00 179.24 180.34 2k6l h GLN 16 N -0.14 1.10 -0.37 0.28 1.08 -1.61 -1.65 115.11 113.81 2k6l h GLN 16 Ca 0.02 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 57.03 2k6l h GLN 16 Cb 0.30 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2k6l h GLN 16 CO 0.00 0.73 -0.29 1.03 -0.95 0.00 0.00 178.83 179.35 2k6l h SER 17 N 1.14 0.81 -0.71 1.46 0.87 -1.35 -2.79 113.55 112.99 2k6l h SER 17 Ca 0.40 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2k6l h SER 17 Cb 0.12 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2k6l h SER 17 CO -0.14 1.05 0.45 0.58 -0.53 0.00 0.00 176.83 178.24 2k6l h VAL 18 N 0.67 1.19 -0.67 2.23 2.07 -0.31 -1.43 116.25 119.99 2k6l h VAL 18 Ca 0.08 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2k6l h VAL 18 Cb 0.82 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2k6l h VAL 18 CO 0.07 0.19 0.23 0.03 0.02 0.00 0.00 177.57 178.11 2k6l h ARG 19 N 0.96 1.03 -0.68 1.57 3.08 -1.33 -2.68 114.38 116.33 2k6l h ARG 19 Ca 0.26 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2k6l h ARG 19 Cb -0.08 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 2k6l h ARG 19 CO -0.05 0.88 0.37 0.52 -1.07 0.00 0.00 179.97 180.62 2k6l h MET 20 N 0.97 0.95 0.06 0.04 2.86 -1.16 -2.29 114.93 116.37 2k6l h MET 20 Ca 0.22 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2k6l h MET 20 Cb 0.27 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2k6l h MET 20 CO -0.01 0.72 -0.07 0.35 1.06 0.00 0.00 176.91 178.96 2k6l h PHE 21 N 0.94 -0.17 -0.86 -0.22 3.04 -0.96 -2.61 116.94 116.10 2k6l h PHE 21 Ca 0.24 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 2k6l h PHE 21 Cb 0.04 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 2k6l h PHE 21 CO -0.00 -0.11 0.53 -0.84 -2.02 0.00 0.00 178.31 175.87 2k6l h ILE 22 N -0.15 1.23 -0.44 1.41 3.07 -1.37 -1.17 117.51 120.09 2k6l h ILE 22 Ca 0.01 -0.49 0.13 0.00 1.55 0.00 0.00 64.86 66.06 2k6l h ILE 22 Cb 0.15 0.01 -0.02 0.00 -0.27 0.00 0.00 36.82 36.69 2k6l h ILE 22 CO -0.03 0.24 0.32 0.00 -1.05 0.00 0.00 178.15 177.63 2k6l h ALA 23 N 1.41 2.40 0.00 0.16 0.00 -1.04 0.37 119.26 122.57 2k6l h ALA 23 Ca 0.31 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2k6l h ALA 23 Cb -0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k6l h ALA 23 CO -0.06 -0.55 -0.63 0.00 0.00 0.00 0.00 179.25 178.01 2k6l h ALA 24 N 1.77 0.77 -0.50 0.00 0.00 -1.00 -2.95 119.26 117.35 2k6l h ALA 24 Ca 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k6l h ALA 24 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k6l h ALA 24 CO -0.00 0.79 0.00 1.04 0.00 0.00 0.00 179.25 181.08 2k6l n GLN 25 N -3.52 4.02 0.00 0.00 1.13 0.12 -5.00 117.38 114.12 2k6l n GLN 25 Ca -0.00 -2.59 0.00 0.00 -1.94 0.00 0.00 57.00 52.47 2k6l n GLN 25 Cb 0.69 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 0.67 0.00 0.00 1.08 0.00 -0.59 -4.73 105.19 101.63 2k6l n GLY 26 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.21 2.13 -0.02 0.00 -1.26 -5.04 105.19 101.22 2k6l n GLY 27 Ca 0.00 -0.12 -0.07 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 -0.59 0.28 3.88 -0.02 0.00 -1.26 -5.02 105.19 102.45 2k6l n GLY 28 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.80 3.65 -0.29 1.61 1.81 -1.26 -4.99 118.95 114.68 2k6l s ARG 29 Ca 0.08 0.00 -0.41 0.00 -1.72 0.00 0.00 55.73 53.68 2k6l s ARG 29 Cb -0.04 -2.96 -0.17 0.00 -0.45 0.00 0.00 34.95 31.33 2k6l s ARG 29 CO 0.10 0.55 1.68 1.63 -0.68 0.00 0.00 175.30 178.58 2k6l n LYS 30 N 0.64 0.90 0.00 3.54 4.01 -1.26 -4.61 118.16 121.39 2k6l n LYS 30 Ca -0.07 0.33 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 2k6l n LYS 30 Cb 0.52 -1.97 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k6l n GLY 31 N 4.00 2.69 0.00 0.72 0.00 -1.26 -5.04 105.19 106.30 2k6l n GLY 31 Ca 0.27 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2k6l n GLY 31 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k6l n ASP 32 N 0.00 0.00 -0.03 1.61 -0.08 -1.26 -4.78 116.55 112.01 2k6l n ASP 32 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 2k6l n ASP 32 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2k6l n ASP 32 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2k6l h LEU 33 N 0.00 0.04 -1.26 -2.67 6.46 -2.00 -3.11 115.31 112.77 2k6l h LEU 33 Ca 0.00 -0.67 0.14 0.00 -0.12 0.00 0.00 57.88 57.22 2k6l h LEU 33 Cb 0.00 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 2k6l h LEU 33 CO 0.00 0.71 0.58 0.28 -0.62 0.00 0.00 178.44 179.39 2k6l h SER 34 N -0.62 0.68 -0.13 1.25 0.02 -2.01 -0.75 113.55 111.99 2k6l h SER 34 Ca -0.00 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2k6l h SER 34 Cb 0.71 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2k6l h SER 34 CO 0.01 0.35 -0.26 0.08 -1.14 0.00 0.00 176.83 175.87 2k6l h ARG 35 N 0.73 0.58 -0.23 3.45 0.11 -1.86 -1.73 114.38 115.43 2k6l h ARG 35 Ca 0.45 -0.24 0.04 0.00 0.10 0.00 0.00 59.98 60.33 2k6l h ARG 35 Cb 0.67 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.69 2k6l h ARG 35 CO -0.21 0.79 -0.01 0.35 0.10 0.00 0.00 179.97 181.00 2k6l h PHE 36 N 0.51 -0.02 -0.02 4.08 3.57 -1.06 -1.65 116.94 122.35 2k6l h PHE 36 Ca 0.07 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.35 2k6l h PHE 36 Cb 0.72 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.52 2k6l h PHE 36 CO 0.03 -0.04 -0.96 0.97 -2.23 0.00 0.00 178.31 176.08 2k6l h ILE 37 N 0.06 1.34 -0.33 1.41 -0.00 -1.49 -2.99 117.51 115.51 2k6l h ILE 37 Ca 0.11 -2.30 0.04 0.00 -0.00 0.00 0.00 64.86 62.71 2k6l h ILE 37 Cb 0.14 2.34 -0.04 0.00 -0.00 0.00 0.00 36.82 39.27 2k6l h ILE 37 CO -0.19 0.70 0.10 -0.08 -0.00 0.00 0.00 178.15 178.68 2k6l h GLU 38 N 0.33 0.23 -0.02 2.19 4.22 -1.06 -0.94 114.58 119.54 2k6l h GLU 38 Ca -0.09 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.24 2k6l h GLU 38 Cb 1.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 2k6l h GLU 38 CO 0.18 0.15 -0.41 0.22 -2.18 0.00 0.00 179.01 176.97 2k6l h ASP 39 N 0.24 0.04 -0.13 1.04 3.58 -1.39 -2.00 116.42 117.81 2k6l h ASP 39 Ca 0.15 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 2k6l h ASP 39 Cb 0.13 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 2k6l h ASP 39 CO -0.16 0.45 -0.10 0.00 -2.88 0.00 0.00 179.24 176.54 2k6l h ALA 40 N 1.56 0.18 -0.12 -0.78 0.00 -1.16 -2.42 119.26 116.53 2k6l h ALA 40 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2k6l h ALA 40 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k6l h ALA 40 CO 0.05 0.02 -0.65 -0.39 0.00 0.00 0.00 179.25 178.28 2k6l h VAL 41 N -0.08 1.36 -0.38 0.00 -1.51 -1.17 -2.85 116.25 111.62 2k6l h VAL 41 Ca 0.02 -1.99 -0.08 0.00 -1.23 0.00 0.00 66.70 63.42 2k6l h VAL 41 Cb 0.61 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2k6l h VAL 41 CO 0.03 0.61 -0.07 -0.09 -1.23 0.00 0.00 177.57 176.81 2k6l h ARG 42 N 0.32 0.72 -0.19 5.19 2.43 -1.40 -0.70 114.38 120.76 2k6l h ARG 42 Ca -0.02 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 2k6l h ARG 42 Cb 1.21 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2k6l h ARG 42 CO 0.12 0.86 -0.03 0.00 -1.51 0.00 0.00 179.97 179.40 2k6l h ALA 43 N 0.84 0.26 -0.01 2.80 0.00 -1.47 -1.86 119.26 119.83 2k6l h ALA 43 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k6l h ALA 43 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k6l h ALA 43 CO 0.03 0.02 -0.02 1.88 0.00 0.00 0.00 179.25 181.16 2k6l h TYR 44 N 0.09 0.05 -0.79 0.00 -1.99 -1.52 -2.44 116.97 110.37 2k6l h TYR 44 Ca 0.05 -0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.79 2k6l h TYR 44 Cb 0.46 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 2k6l h TYR 44 CO 0.05 0.57 0.51 -0.07 -0.00 0.00 0.00 178.16 179.22 2k6l h LEU 45 N -0.48 0.85 -1.58 3.88 3.38 -1.20 -0.78 115.31 119.37 2k6l h LEU 45 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2k6l h LEU 45 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2k6l h LEU 45 CO 0.01 0.59 -0.22 0.15 0.09 0.00 0.00 178.44 179.05 2k6l h PHE 46 N 1.00 0.00 -0.09 1.13 3.57 -1.36 -1.34 116.94 119.85 2k6l h PHE 46 Ca 0.31 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 2k6l h PHE 46 Cb -0.01 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.74 2k6l h PHE 46 CO -0.03 0.22 -0.73 0.93 -2.23 0.00 0.00 178.31 176.47 2k6l h GLU 47 N 0.00 0.66 0.00 1.11 5.08 -0.66 -3.12 114.58 117.65 2k6l h GLU 47 Ca -0.00 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2k6l h GLU 47 Cb 0.47 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k6l h GLU 47 CO 0.03 1.20 -0.03 -0.09 -1.00 0.00 0.00 179.01 179.12 2k6l h ARG 48 N 0.32 0.00 -0.11 2.33 2.43 -1.06 -3.13 114.38 115.16 2k6l h ARG 48 Ca -0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2k6l h ARG 48 Cb 1.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2k6l h ARG 48 CO 0.15 0.03 -0.12 0.00 -1.51 0.00 0.00 179.97 178.52 2k6l h ALA 49 N 1.97 0.16 -0.45 2.80 0.00 -1.20 -3.23 119.26 119.31 2k6l h ALA 49 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2k6l h ALA 49 Cb 0.80 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2k6l h ALA 49 CO 0.00 0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.68 2k6l h VAL 50 N -0.14 1.23 -0.01 0.00 2.07 -1.57 -3.52 116.25 114.32 2k6l h VAL 50 Ca 0.02 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2k6l h VAL 50 Cb 0.64 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2k6l h VAL 50 CO 0.03 0.27 0.00 1.21 0.02 0.00 0.00 177.57 179.10