#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 -0.88 0.33 7.83 2.47 -1.26 -5.13 114.94 118.30 2k6l s ASN 2 Ca 0.00 1.48 -0.27 0.00 0.42 0.00 0.00 52.86 54.49 2k6l s ASN 2 Cb 0.00 1.40 -0.13 0.00 -1.45 0.00 0.00 41.25 41.08 2k6l s ASN 2 CO 0.00 -0.24 1.09 0.35 -3.72 0.00 0.00 177.10 174.58 2k6l n THR 3 N 3.83 2.09 -3.99 -5.21 -2.24 -1.26 -4.97 114.28 102.54 2k6l n THR 3 Ca -0.18 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.78 2k6l n THR 3 Cb 0.58 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.12 5.01 -0.13 2.28 1.01 -1.26 -5.10 120.40 121.08 2k6l s VAL 4 Ca 0.59 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2k6l s VAL 4 Cb -0.63 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2k6l s VAL 4 CO 0.60 0.18 -0.00 -0.60 0.00 0.00 0.00 175.10 175.28 2k6l s ARG 5 N -2.30 3.43 -0.22 2.72 3.00 -1.26 -5.09 118.95 119.23 2k6l s ARG 5 Ca 0.31 -0.44 0.01 0.00 -1.00 0.00 0.00 55.73 54.61 2k6l s ARG 5 Cb -0.13 -2.92 0.05 0.00 0.00 0.00 0.00 34.95 31.96 2k6l s ARG 5 CO 0.23 0.45 -0.10 -1.58 0.00 0.00 0.00 175.30 174.30 2k6l s TRP 6 N -0.18 2.65 -0.19 5.12 0.52 -1.26 -5.10 118.94 120.50 2k6l s TRP 6 Ca 0.05 -1.81 -0.04 0.00 0.02 0.00 0.00 56.10 54.31 2k6l s TRP 6 Cb -0.13 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 2k6l s TRP 6 CO 0.02 -0.79 -0.02 0.54 0.02 0.00 0.00 176.95 176.73 2k6l s ASN 7 N 1.32 4.71 0.16 2.95 4.22 -1.26 -5.10 114.94 121.94 2k6l s ASN 7 Ca -0.04 -0.22 -0.01 0.00 -2.14 0.00 0.00 52.86 50.45 2k6l s ASN 7 Cb -0.17 -1.80 -0.04 0.00 1.28 0.00 0.00 41.25 40.52 2k6l s ASN 7 CO -0.07 0.07 0.07 0.27 -2.04 0.00 0.00 177.10 175.40 2k6l s ILE 8 N 0.95 0.16 -0.25 0.54 -4.36 -1.26 -5.13 121.20 111.84 2k6l s ILE 8 Ca 0.01 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.32 2k6l s ILE 8 Cb -0.14 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 2k6l s ILE 8 CO 0.01 -0.32 0.30 0.00 0.24 0.00 0.00 174.94 175.18 2k6l s ALA 9 N -4.02 3.57 0.12 2.27 0.00 -1.26 -5.06 121.76 117.37 2k6l s ALA 9 Ca 0.29 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 2k6l s ALA 9 Cb 0.07 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 2k6l s ALA 9 CO 0.05 -0.47 0.09 0.14 0.00 0.00 0.00 175.76 175.57 2k6l s VAL 10 N 1.66 0.11 0.11 0.00 -7.23 -1.26 -5.13 120.40 108.66 2k6l s VAL 10 Ca 0.13 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2k6l s VAL 10 Cb -0.15 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 2k6l s VAL 10 CO 0.09 -0.52 1.08 -0.55 -0.31 0.00 0.00 175.10 174.88 2k6l s SER 11 N -3.01 7.28 0.00 4.85 0.15 -1.26 -4.85 113.70 116.87 2k6l s SER 11 Ca 0.19 1.94 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2k6l s SER 11 Cb 0.07 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k6l s SER 11 CO -0.01 -0.26 0.50 -0.81 1.20 0.00 0.00 173.24 173.87 2k6l n PRO 12 N 3.08 0.00 0.18 5.44 -0.04 -1.26 -0.57 135.00 141.83 2k6l n PRO 12 Ca 0.05 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 2k6l n PRO 12 Cb 0.48 -1.59 0.30 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.33 3.54 1.82 -2.01 -3.11 116.42 117.00 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 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2k6l h ASP 13 CO 0.00 0.40 -0.92 -0.37 -1.61 0.00 0.00 179.24 176.75 2k6l h VAL 14 N 0.00 1.40 -0.06 2.25 -1.51 -1.21 -2.79 116.25 114.33 2k6l h VAL 14 Ca -0.00 -2.42 -0.01 0.00 -1.23 0.00 0.00 66.70 63.04 2k6l h VAL 14 Cb 0.96 2.39 -0.00 0.00 -2.13 0.00 0.00 31.29 32.50 2k6l h VAL 14 CO 0.05 0.72 -0.00 -0.78 -1.23 0.00 0.00 177.57 176.33 2k6l h ASP 15 N 0.23 0.11 -0.96 4.19 3.58 -1.71 -1.07 116.42 120.79 2k6l h ASP 15 Ca -0.07 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.07 2k6l h ASP 15 Cb 1.55 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.52 2k6l h ASP 15 CO 0.16 0.40 0.63 -0.61 -2.88 0.00 0.00 179.24 176.94 2k6l h GLN 16 N -0.19 1.26 -0.54 0.28 5.75 -1.62 -1.96 115.11 118.08 2k6l h GLN 16 Ca 0.02 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 2k6l h GLN 16 Cb 0.35 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2k6l h GLN 16 CO 0.00 0.83 -0.03 1.03 -2.65 0.00 0.00 178.83 178.01 2k6l h SER 17 N 1.29 0.96 -0.87 -0.69 0.87 -1.39 -2.08 113.55 111.66 2k6l h SER 17 Ca 0.35 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2k6l h SER 17 Cb -0.15 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.51 2k6l h SER 17 CO -0.08 1.05 0.47 0.58 -0.53 0.00 0.00 176.83 178.32 2k6l h VAL 18 N 0.85 1.25 -0.30 2.23 2.07 -0.69 -1.14 116.25 120.52 2k6l h VAL 18 Ca 0.15 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 2k6l h VAL 18 Cb 0.58 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2k6l h VAL 18 CO 0.03 0.29 -0.09 -0.09 0.02 0.00 0.00 177.57 177.73 2k6l h ARG 19 N 1.22 0.60 -0.85 1.57 9.65 -1.20 -2.81 114.38 122.56 2k6l h ARG 19 Ca 0.30 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2k6l h ARG 19 Cb 0.04 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2k6l h ARG 19 CO -0.05 0.80 0.46 0.52 2.80 0.00 0.00 179.97 184.50 2k6l h MET 20 N 0.36 1.18 0.03 0.20 2.86 -1.10 -2.90 114.93 115.56 2k6l h MET 20 Ca 0.07 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2k6l h MET 20 Cb 0.59 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2k6l h MET 20 CO 0.03 0.87 -0.04 0.35 1.06 0.00 0.00 176.91 179.18 2k6l h PHE 21 N 1.18 -0.10 -0.76 -0.22 3.04 -1.10 -2.42 116.94 116.56 2k6l h PHE 21 Ca 0.30 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.35 2k6l h PHE 21 Cb 0.03 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 2k6l h PHE 21 CO 0.01 -0.06 0.50 -0.84 -2.02 0.00 0.00 178.31 175.90 2k6l h ILE 22 N -0.08 0.94 -0.44 1.41 -0.00 -1.36 0.13 117.51 118.11 2k6l h ILE 22 Ca 0.01 -0.23 0.08 0.00 -0.00 0.00 0.00 64.86 64.72 2k6l h ILE 22 Cb 0.09 0.20 -0.02 0.00 -0.00 0.00 0.00 36.82 37.09 2k6l h ILE 22 CO -0.02 0.12 0.30 0.00 -0.00 0.00 0.00 178.15 178.55 2k6l h ALA 23 N 1.62 2.12 -0.00 0.16 0.00 -1.24 1.25 119.26 123.16 2k6l h ALA 23 Ca 0.35 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 2k6l h ALA 23 Cb 0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k6l h ALA 23 CO -0.13 -0.22 -0.87 0.00 0.00 0.00 0.00 179.25 178.03 2k6l h ALA 24 N 1.78 0.50 -0.02 0.00 0.00 -0.67 -3.13 119.26 117.72 2k6l h ALA 24 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k6l h ALA 24 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k6l h ALA 24 CO -0.04 0.88 -0.21 0.94 0.00 0.00 0.00 179.25 180.82 2k6l n GLN 25 N -3.70 1.42 0.00 0.00 -0.06 0.02 -5.00 117.38 110.06 2k6l n GLN 25 Ca -0.04 -1.02 0.00 0.00 -2.00 0.00 0.00 57.00 53.94 2k6l n GLN 25 Cb 0.80 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.50 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k6l n GLY 26 N 1.33 1.05 0.85 1.69 0.00 0.41 -4.77 105.19 105.74 2k6l n GLY 26 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 2.67 2.29 -0.02 0.00 -1.26 -4.73 105.19 104.14 2k6l n GLY 27 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.98 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.88 2k6l n GLY 28 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.70 0.00 -0.28 1.61 1.74 -1.26 -4.96 116.66 112.81 2k6l n ARG 29 Ca 0.05 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.18 2k6l n ARG 29 Cb 0.33 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.84 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 0.64 -4.05 5.56 4.76 -1.26 -5.00 118.16 118.82 2k6l n LYS 30 Ca 0.00 -1.78 -0.30 0.00 -2.87 0.00 0.00 58.31 53.36 2k6l n LYS 30 Cb 0.00 -0.99 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6l n GLY 31 N -0.71 -0.36 3.01 0.72 0.00 -1.26 -4.94 105.19 101.66 2k6l n GLY 31 Ca 0.08 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 2k6l n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k6l s ASP 32 N -4.17 2.42 0.39 1.61 2.15 -1.26 -5.00 116.67 112.82 2k6l s ASP 32 Ca 0.12 -0.41 0.21 0.00 0.43 0.00 0.00 52.55 52.89 2k6l s ASP 32 Cb -0.05 -1.05 0.70 0.00 -0.30 0.00 0.00 42.92 42.22 2k6l s ASP 32 CO 0.93 -0.04 1.73 -0.07 -0.17 0.00 0.00 175.17 177.56 2k6l h LEU 33 N 7.76 0.00 -1.63 -1.34 -0.00 -1.99 -3.11 115.31 115.01 2k6l h LEU 33 Ca -0.33 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.68 2k6l h LEU 33 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 2k6l h LEU 33 CO 0.48 0.32 0.46 -1.28 -0.00 0.00 0.00 178.44 178.42 2k6l h SER 34 N 0.00 0.35 -0.33 -0.43 0.87 -2.01 -1.24 113.55 110.77 2k6l h SER 34 Ca -0.00 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2k6l h SER 34 Cb 0.90 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2k6l h SER 34 CO 0.04 0.20 -0.41 0.03 -0.53 0.00 0.00 176.83 176.16 2k6l h ARG 35 N 0.38 0.85 -0.23 2.24 3.08 -1.97 -1.79 114.38 116.95 2k6l h ARG 35 Ca 0.33 -0.48 0.04 0.00 0.07 0.00 0.00 59.98 59.94 2k6l h ARG 35 Cb 0.75 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 2k6l h ARG 35 CO -0.09 1.12 -0.01 0.35 -1.07 0.00 0.00 179.97 180.26 2k6l h PHE 36 N 0.64 -0.04 -0.34 3.04 3.04 -1.37 -1.29 116.94 120.63 2k6l h PHE 36 Ca 0.04 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 2k6l h PHE 36 Cb 1.00 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 2k6l h PHE 36 CO 0.07 -0.05 -0.39 0.97 -2.02 0.00 0.00 178.31 176.89 2k6l h ILE 37 N 0.06 1.28 -0.29 1.41 -0.00 -1.53 -2.27 117.51 116.17 2k6l h ILE 37 Ca 0.11 -1.56 0.03 0.00 -0.00 0.00 0.00 64.86 63.44 2k6l h ILE 37 Cb 0.14 1.44 -0.03 0.00 -0.00 0.00 0.00 36.82 38.37 2k6l h ILE 37 CO -0.19 0.51 0.09 -0.08 -0.00 0.00 0.00 178.15 178.48 2k6l h GLU 38 N 0.66 0.21 -0.07 2.19 4.57 -0.83 -0.94 114.58 120.37 2k6l h GLU 38 Ca 0.05 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 2k6l h GLU 38 Cb 0.95 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2k6l h GLU 38 CO 0.09 0.14 -0.53 0.22 -1.18 0.00 0.00 179.01 177.75 2k6l h ASP 39 N 0.22 0.21 -0.27 1.04 1.82 -1.25 -2.29 116.42 115.90 2k6l h ASP 39 Ca 0.13 -0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 2k6l h ASP 39 Cb 0.10 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 2k6l h ASP 39 CO -0.14 0.70 0.06 0.00 -1.61 0.00 0.00 179.24 178.25 2k6l h ALA 40 N 1.31 0.35 -0.13 -0.78 0.00 -0.77 -2.30 119.26 116.94 2k6l h ALA 40 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2k6l h ALA 40 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2k6l h ALA 40 CO 0.08 0.01 -0.56 -0.39 0.00 0.00 0.00 179.25 178.39 2k6l h VAL 41 N 0.26 1.35 -0.69 0.00 -1.51 -1.18 -3.11 116.25 111.37 2k6l h VAL 41 Ca 0.08 -1.86 0.00 0.00 -1.23 0.00 0.00 66.70 63.70 2k6l h VAL 41 Cb 0.29 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.28 2k6l h VAL 41 CO 0.00 0.56 0.43 -0.09 -1.23 0.00 0.00 177.57 177.25 2k6l h ARG 42 N 0.30 0.92 -0.74 5.19 2.43 -1.26 -1.97 114.38 119.25 2k6l h ARG 42 Ca 0.00 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2k6l h ARG 42 Cb 1.08 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2k6l h ARG 42 CO 0.10 0.63 0.49 0.00 -1.51 0.00 0.00 179.97 179.68 2k6l h ALA 43 N 1.23 1.55 -0.26 2.80 0.00 -1.35 -1.01 119.26 122.23 2k6l h ALA 43 Ca 0.25 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2k6l h ALA 43 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2k6l h ALA 43 CO -0.05 0.38 -0.29 1.88 0.00 0.00 0.00 179.25 181.17 2k6l h TYR 44 N 0.92 0.79 -0.21 0.00 -1.99 -1.39 -2.94 116.97 112.16 2k6l h TYR 44 Ca 0.29 -0.25 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 2k6l h TYR 44 Cb 0.02 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2k6l h TYR 44 CO -0.00 0.98 -0.30 -0.07 -0.00 0.00 0.00 178.16 178.77 2k6l h LEU 45 N 0.37 0.42 -0.26 3.88 3.38 -0.92 -3.05 115.31 119.14 2k6l h LEU 45 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2k6l h LEU 45 Cb 0.87 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2k6l h LEU 45 CO 0.07 0.71 0.02 2.19 0.09 0.00 0.00 178.44 181.52 2k6l h PHE 46 N 0.36 0.48 -0.18 1.13 -5.15 -1.17 -1.52 116.94 110.89 2k6l h PHE 46 Ca 0.05 -0.08 0.04 0.00 -0.20 0.00 0.00 57.97 57.79 2k6l h PHE 46 Cb 0.71 -0.13 -0.04 0.00 0.22 0.00 0.00 35.95 36.71 2k6l h PHE 46 CO 0.02 0.58 -0.10 1.49 -2.00 0.00 0.00 178.31 178.30 2k6l h GLU 47 N 0.24 -0.09 0.00 6.09 4.57 -1.45 0.15 114.58 124.08 2k6l h GLU 47 Ca 0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2k6l h GLU 47 Cb 0.38 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2k6l h GLU 47 CO 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.78 2k6l h ARG 48 N -0.09 0.00 -0.25 1.92 2.47 -1.46 -2.87 114.38 114.09 2k6l h ARG 48 Ca 0.10 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.80 2k6l h ARG 48 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2k6l h ARG 48 CO -0.23 0.00 0.09 0.00 0.56 0.00 0.00 179.97 180.38 2k6l h ALA 49 N 2.13 0.33 -0.77 0.04 0.00 0.38 -2.74 119.26 118.63 2k6l h ALA 49 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k6l h ALA 49 Cb 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2k6l h ALA 49 CO 0.00 -0.05 0.46 0.28 0.00 0.00 0.00 179.25 179.94 2k6l h VAL 50 N 0.25 1.21 -0.02 0.00 2.07 -1.41 -3.51 116.25 114.83 2k6l h VAL 50 Ca 0.08 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2k6l h VAL 50 Cb 0.22 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2k6l h VAL 50 CO -0.00 0.22 0.00 1.21 0.02 0.00 0.00 177.57 179.02