#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 4.69 0.35 7.83 0.01 -1.26 -5.09 114.94 121.47 2k6l s ASN 2 Ca 0.00 -0.88 -0.28 0.00 -0.71 0.00 0.00 52.86 50.99 2k6l s ASN 2 Cb 0.00 -1.75 -0.10 0.00 0.41 0.00 0.00 41.25 39.82 2k6l s ASN 2 CO 0.00 -0.17 1.24 0.42 -1.51 0.00 0.00 177.10 177.07 2k6l s THR 3 N 1.37 2.94 0.09 1.60 -4.23 -1.26 -5.02 115.64 111.13 2k6l s THR 3 Ca 0.00 0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2k6l s THR 3 Cb -0.17 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 2k6l s THR 3 CO -0.02 0.18 0.27 -0.69 -0.54 0.00 0.00 174.62 173.83 2k6l s VAL 4 N -1.22 5.30 -0.20 2.29 1.01 -1.26 -5.08 120.40 121.23 2k6l s VAL 4 Ca 0.51 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 2k6l s VAL 4 Cb -0.36 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2k6l s VAL 4 CO 0.47 0.12 0.17 -0.13 0.00 0.00 0.00 175.10 175.73 2k6l s ARG 5 N -2.50 4.17 -0.21 2.72 0.52 -1.26 -5.07 118.95 117.32 2k6l s ARG 5 Ca 0.37 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 2k6l s ARG 5 Cb -0.13 -3.45 0.04 0.00 0.52 0.00 0.00 34.95 31.93 2k6l s ARG 5 CO 0.26 0.22 -0.13 -1.58 0.02 0.00 0.00 175.30 174.08 2k6l s TRP 6 N 0.58 2.74 -0.31 -0.53 0.52 -1.26 -5.09 118.94 115.59 2k6l s TRP 6 Ca 0.10 -1.79 -0.12 0.00 0.02 0.00 0.00 56.10 54.31 2k6l s TRP 6 Cb -0.12 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.38 2k6l s TRP 6 CO 0.01 -0.80 0.21 -0.80 0.02 0.00 0.00 176.95 175.59 2k6l s ASN 7 N 1.29 5.97 0.05 2.95 0.01 -1.26 -5.07 114.94 118.87 2k6l s ASN 7 Ca -0.01 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.88 2k6l s ASN 7 Cb -0.16 -2.11 -0.03 0.00 0.41 0.00 0.00 41.25 39.36 2k6l s ASN 7 CO -0.09 -0.15 -0.05 0.27 -1.51 0.00 0.00 177.10 175.57 2k6l s ILE 8 N 1.72 0.37 -0.24 0.60 -4.36 -1.26 -5.13 121.20 112.90 2k6l s ILE 8 Ca 0.06 -1.29 -0.13 0.00 -0.26 0.00 0.00 60.65 59.03 2k6l s ILE 8 Cb -0.17 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2k6l s ILE 8 CO 0.10 -0.61 0.27 0.00 0.24 0.00 0.00 174.94 174.94 2k6l s ALA 9 N -2.23 3.58 0.13 2.27 0.00 -1.26 -5.07 121.76 119.18 2k6l s ALA 9 Ca -0.05 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2k6l s ALA 9 Cb -0.04 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2k6l s ALA 9 CO -0.03 -0.34 0.03 0.14 0.00 0.00 0.00 175.76 175.56 2k6l s VAL 10 N 1.38 0.25 0.01 0.00 -7.23 -1.26 -5.12 120.40 108.43 2k6l s VAL 10 Ca 0.12 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 2k6l s VAL 10 Cb -0.15 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2k6l s VAL 10 CO 0.07 -0.55 1.13 -0.55 -0.31 0.00 0.00 175.10 174.89 2k6l s SER 11 N -3.06 7.16 0.00 4.85 0.15 -1.26 -4.84 113.70 116.70 2k6l s SER 11 Ca 0.22 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.70 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 -0.44 0.62 -0.81 1.20 0.00 0.00 173.24 173.81 2k6l n PRO 12 N 4.30 0.00 0.17 5.44 -0.04 -1.26 0.16 135.00 143.77 2k6l n PRO 12 Ca 0.09 0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 2k6l n PRO 12 Cb 0.48 -1.79 0.26 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.82 -2.01 -3.10 116.42 117.02 2k6l h ASP 13 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 2k6l h ASP 13 Cb 0.57 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.58 2k6l h ASP 13 CO 0.00 0.46 -0.92 -0.37 -1.61 0.00 0.00 179.24 176.80 2k6l h VAL 14 N 0.00 1.41 -0.04 2.25 -1.51 -0.66 -2.83 116.25 114.87 2k6l h VAL 14 Ca -0.00 -2.44 -0.01 0.00 -1.23 0.00 0.00 66.70 63.02 2k6l h VAL 14 Cb 1.01 2.40 -0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2k6l h VAL 14 CO 0.06 0.73 -0.00 -0.78 -1.23 0.00 0.00 177.57 176.35 2k6l h ASP 15 N 0.22 0.06 -0.90 4.19 1.82 -1.68 -1.54 116.42 118.60 2k6l h ASP 15 Ca -0.07 -0.32 0.02 0.00 -0.39 0.00 0.00 57.03 56.27 2k6l h ASP 15 Cb 1.55 -0.02 -0.05 0.00 0.68 0.00 0.00 39.33 41.49 2k6l h ASP 15 CO 0.16 0.37 0.59 1.56 -1.61 0.00 0.00 179.24 180.30 2k6l h GLN 16 N -0.24 1.13 -0.74 0.28 1.08 -1.62 -2.08 115.11 112.91 2k6l h GLN 16 Ca 0.01 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 2k6l h GLN 16 Cb 0.33 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2k6l h GLN 16 CO 0.00 0.75 0.22 1.03 -0.95 0.00 0.00 178.83 179.88 2k6l h SER 17 N 1.16 1.09 -0.93 1.46 0.87 -1.40 -2.65 113.55 113.15 2k6l h SER 17 Ca 0.34 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2k6l h SER 17 Cb -0.06 -0.29 -0.05 0.00 -0.44 0.00 0.00 62.40 61.56 2k6l h SER 17 CO -0.10 1.01 0.61 0.58 -0.53 0.00 0.00 176.83 178.40 2k6l h VAL 18 N 1.11 1.17 -0.66 2.23 2.07 -0.59 -1.53 116.25 120.05 2k6l h VAL 18 Ca 0.24 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2k6l h VAL 18 Cb 0.32 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2k6l h VAL 18 CO -0.01 0.21 0.39 0.03 0.02 0.00 0.00 177.57 178.22 2k6l h ARG 19 N 1.18 0.89 -0.53 1.57 3.08 -1.11 -1.97 114.38 117.48 2k6l h ARG 19 Ca 0.36 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 2k6l h ARG 19 Cb -0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2k6l h ARG 19 CO -0.11 0.64 0.20 0.52 -1.07 0.00 0.00 179.97 180.15 2k6l h MET 20 N 0.89 0.81 0.09 0.04 2.86 -1.20 -2.01 114.93 116.41 2k6l h MET 20 Ca 0.23 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k6l h MET 20 Cb -0.02 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2k6l h MET 20 CO -0.04 0.72 -0.07 0.35 1.06 0.00 0.00 176.91 178.93 2k6l h PHE 21 N 0.72 -0.17 -0.88 -0.22 3.57 -0.89 -2.53 116.94 116.54 2k6l h PHE 21 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 2k6l h PHE 21 Cb 0.23 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2k6l h PHE 21 CO 0.01 -0.10 0.57 -0.84 -2.23 0.00 0.00 178.31 175.72 2k6l h ILE 22 N -0.16 1.23 -0.31 1.41 -0.00 -1.30 -0.64 117.51 117.74 2k6l h ILE 22 Ca -0.00 -0.45 0.09 0.00 -0.00 0.00 0.00 64.86 64.50 2k6l h ILE 22 Cb 0.14 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 36.90 2k6l h ILE 22 CO -0.00 0.23 0.26 0.00 -0.00 0.00 0.00 178.15 178.64 2k6l h ALA 23 N 1.42 2.14 0.00 0.16 0.00 -0.94 0.30 119.26 122.34 2k6l h ALA 23 Ca 0.32 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2k6l h ALA 23 Cb -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2k6l h ALA 23 CO -0.07 -0.42 -0.77 0.00 0.00 0.00 0.00 179.25 177.99 2k6l h ALA 24 N 1.77 0.73 -0.48 0.00 0.00 -0.83 -2.98 119.26 117.46 2k6l h ALA 24 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k6l h ALA 24 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k6l h ALA 24 CO -0.00 0.96 0.00 1.04 0.00 0.00 0.00 179.25 181.25 2k6l n GLN 25 N -3.62 2.25 -1.27 0.00 1.13 0.90 -4.98 117.38 111.79 2k6l n GLN 25 Ca -0.01 -1.93 -0.39 0.00 -1.94 0.00 0.00 57.00 52.74 2k6l n GLN 25 Cb 0.74 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 29.67 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 1.37 -3.05 0.00 1.08 0.00 -0.24 -4.77 105.19 99.59 2k6l n GLY 26 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 2.43 1.78 0.00 -0.02 0.00 -1.26 -5.09 105.19 103.03 2k6l n GLY 27 Ca 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.72 0.18 3.45 -0.02 0.00 -1.26 -5.04 105.19 104.22 2k6l n GLY 28 Ca 0.00 -2.14 -0.28 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 -1.38 0.06 1.61 0.52 -1.26 -4.93 118.95 113.56 2k6l s ARG 29 Ca 0.00 0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 2k6l s ARG 29 Cb 0.00 -1.51 -0.18 0.00 0.52 0.00 0.00 34.95 33.78 2k6l s ARG 29 CO 0.00 -3.99 1.53 0.87 0.02 0.00 0.00 175.30 173.73 2k6l h LYS 30 N -2.81 -0.73 -3.59 3.54 1.79 -2.03 -3.49 116.57 109.26 2k6l h LYS 30 Ca -0.60 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2k6l h LYS 30 Cb 1.34 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2k6l h LYS 30 CO 0.47 -0.46 -0.81 0.41 -1.08 0.00 0.00 179.45 177.99 2k6l n GLY 31 N -1.19 -4.90 0.00 3.86 0.00 -1.26 -5.04 105.19 96.66 2k6l n GLY 31 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.79 1.57 -0.09 1.61 5.68 -1.26 -5.03 116.55 119.83 2k6l n ASP 32 Ca 0.00 -0.19 -0.12 0.00 -0.50 0.00 0.00 54.79 53.98 2k6l n ASP 32 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2k6l n ASP 32 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k6l h LEU 33 N 0.00 0.54 -0.73 -2.12 4.07 -1.98 -2.84 115.31 112.25 2k6l h LEU 33 Ca 0.00 -0.41 0.11 0.00 0.08 0.00 0.00 57.88 57.66 2k6l h LEU 33 Cb 0.00 -0.15 -0.08 0.00 1.08 0.00 0.00 40.66 41.51 2k6l h LEU 33 CO 0.00 0.84 0.35 -1.28 -1.08 0.00 0.00 178.44 177.26 2k6l h SER 34 N 0.25 0.42 -0.33 -0.43 0.87 -2.00 -1.66 113.55 110.67 2k6l h SER 34 Ca 0.06 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 2k6l h SER 34 Cb 0.63 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2k6l h SER 34 CO 0.04 0.22 -0.33 -0.09 -0.53 0.00 0.00 176.83 176.14 2k6l h ARG 35 N 0.57 0.86 -0.14 2.24 9.65 -1.95 -1.46 114.38 124.15 2k6l h ARG 35 Ca 0.38 -0.42 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2k6l h ARG 35 Cb 0.46 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.00 2k6l h ARG 35 CO -0.31 1.06 -0.05 0.35 2.80 0.00 0.00 179.97 183.82 2k6l h PHE 36 N 0.72 -0.12 -0.02 2.20 3.57 -1.07 -1.87 116.94 120.36 2k6l h PHE 36 Ca 0.07 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.34 2k6l h PHE 36 Cb 0.89 0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.72 2k6l h PHE 36 CO 0.05 -0.09 -0.98 0.97 -2.23 0.00 0.00 178.31 176.03 2k6l h ILE 37 N -0.03 1.30 -0.27 1.41 2.10 -1.45 -2.84 117.51 117.73 2k6l h ILE 37 Ca 0.07 -2.25 0.03 0.00 1.08 0.00 0.00 64.86 63.79 2k6l h ILE 37 Cb 0.14 2.33 -0.03 0.00 -1.09 0.00 0.00 36.82 38.17 2k6l h ILE 37 CO -0.16 0.69 0.09 -0.08 -1.08 0.00 0.00 178.15 177.61 2k6l h GLU 38 N 0.38 0.21 -0.04 2.19 4.22 -1.12 -0.85 114.58 119.57 2k6l h GLU 38 Ca -0.11 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.20 2k6l h GLU 38 Cb 1.63 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 2k6l h GLU 38 CO 0.19 0.14 -0.52 0.22 -2.18 0.00 0.00 179.01 176.86 2k6l h ASP 39 N 0.21 0.11 -0.15 1.04 3.58 -1.44 -2.39 116.42 117.38 2k6l h ASP 39 Ca 0.12 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2k6l h ASP 39 Cb 0.09 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k6l h ASP 39 CO -0.12 0.61 -0.12 0.00 -2.88 0.00 0.00 179.24 176.73 2k6l h ALA 40 N 1.39 0.22 -0.21 -0.78 0.00 -1.16 -2.11 119.26 116.61 2k6l h ALA 40 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2k6l h ALA 40 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2k6l h ALA 40 CO 0.07 0.07 -0.45 -0.39 0.00 0.00 0.00 179.25 178.56 2k6l h VAL 41 N -0.00 1.31 -0.38 0.00 -1.51 -1.18 -2.12 116.25 112.36 2k6l h VAL 41 Ca 0.03 -1.63 -0.06 0.00 -1.23 0.00 0.00 66.70 63.80 2k6l h VAL 41 Cb 0.62 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 2k6l h VAL 41 CO 0.03 0.51 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.78 2k6l h ARG 42 N 0.42 0.68 -0.08 5.19 9.65 -1.42 -1.25 114.38 127.57 2k6l h ARG 42 Ca 0.03 -0.22 -0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2k6l h ARG 42 Cb 0.95 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2k6l h ARG 42 CO 0.08 0.79 -0.03 0.00 2.80 0.00 0.00 179.97 183.62 2k6l h ALA 43 N 0.87 0.12 -0.75 2.80 0.00 -1.33 -1.90 119.26 119.06 2k6l h ALA 43 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k6l h ALA 43 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2k6l h ALA 43 CO 0.02 -0.14 0.41 1.88 0.00 0.00 0.00 179.25 181.41 2k6l h TYR 44 N -0.18 1.04 0.00 0.00 0.05 -1.39 -1.95 116.97 114.54 2k6l h TYR 44 Ca 0.02 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2k6l h TYR 44 Cb 0.45 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2k6l h TYR 44 CO 0.06 0.74 -0.27 -0.07 -1.05 0.00 0.00 178.16 177.57 2k6l h LEU 45 N 1.04 0.00 -0.29 3.88 3.38 -1.21 -2.96 115.31 119.16 2k6l h LEU 45 Ca 0.26 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 2k6l h LEU 45 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k6l h LEU 45 CO -0.04 0.27 -0.52 0.15 0.09 0.00 0.00 178.44 178.38 2k6l h PHE 46 N 0.00 1.08 -0.62 1.13 3.04 -0.57 -2.68 116.94 118.32 2k6l h PHE 46 Ca -0.00 -0.38 -0.07 0.00 3.98 0.00 0.00 57.97 61.49 2k6l h PHE 46 Cb 0.65 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 2k6l h PHE 46 CO 0.00 1.21 0.11 1.49 -2.02 0.00 0.00 178.31 179.10 2k6l h GLU 47 N 0.64 1.00 0.00 1.11 4.81 -1.31 -2.32 114.58 118.51 2k6l h GLU 47 Ca 0.02 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2k6l h GLU 47 Cb 1.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2k6l h GLU 47 CO 0.12 0.91 -0.26 0.00 -0.73 0.00 0.00 179.01 179.05 2k6l h ARG 48 N 0.94 0.00 -0.29 1.92 2.47 -1.49 -3.06 114.38 114.86 2k6l h ARG 48 Ca 0.19 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.88 2k6l h ARG 48 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2k6l h ARG 48 CO 0.01 0.26 0.06 0.00 0.56 0.00 0.00 179.97 180.85 2k6l h ALA 49 N 1.74 0.39 -0.61 0.04 0.00 -1.06 -2.95 119.26 116.82 2k6l h ALA 49 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2k6l h ALA 49 Cb 0.67 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k6l h ALA 49 CO 0.03 0.07 0.16 0.28 0.00 0.00 0.00 179.25 179.79 2k6l h VAL 50 N 0.31 1.24 0.00 0.00 2.07 -1.49 -3.52 116.25 114.86 2k6l h VAL 50 Ca 0.09 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k6l h VAL 50 Cb 0.32 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2k6l h VAL 50 CO 0.00 0.32 0.00 -0.62 0.02 0.00 0.00 177.57 177.30