#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn s ILE 3 N 0.00 3.63 0.36 0.52 -0.00 -1.26 -5.04 121.20 119.40 3knn s ILE 3 Ca 0.00 1.36 -0.18 0.00 -0.00 0.00 0.00 60.65 61.84 3knn s ILE 3 Cb 0.00 -3.76 -0.10 0.00 -0.00 0.00 0.00 42.46 38.60 3knn s ILE 3 CO 0.00 0.12 0.82 0.42 -0.00 0.00 0.00 174.94 176.30 3knn s THR 4 N -1.49 4.55 -2.00 8.37 -4.23 -1.26 -4.90 115.64 114.68 3knn s THR 4 Ca 0.54 1.19 0.03 0.00 -1.18 0.00 0.00 61.69 62.26 3knn s THR 4 Cb -0.25 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 70.03 3knn s THR 4 CO 0.32 -0.21 0.59 2.29 -0.54 0.00 0.00 174.62 177.07 3knn n LYS 5 N -0.40 0.43 -0.11 3.99 2.85 -1.26 -2.24 118.16 121.43 3knn n LYS 5 Ca 0.05 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.12 3knn n LYS 5 Cb 0.53 -1.10 -0.06 0.00 -0.65 0.00 0.00 35.03 33.76 3knn n LYS 5 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3knn n GLU 6 N -0.60 0.51 -0.33 -1.58 4.71 -1.26 -2.90 120.64 119.20 3knn n GLU 6 Ca 0.02 0.22 0.25 0.00 -0.01 0.00 0.00 57.16 57.64 3knn n GLU 6 Cb 0.01 -1.38 0.49 0.00 -1.01 0.00 0.00 31.44 29.55 3knn n GLU 6 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3knn h GLU 7 N -0.91 0.27 0.76 3.49 5.08 -1.83 1.36 114.58 122.79 3knn h GLU 7 Ca -0.35 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3knn h GLU 7 Cb 1.27 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.47 3knn h GLU 7 CO -0.21 0.18 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.39 3knn h LYS 8 N 0.28 -0.99 -0.45 2.33 3.64 -1.63 -2.17 116.57 117.58 3knn h LYS 8 Ca 0.75 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 60.22 3knn h LYS 8 Cb 1.76 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.78 3knn h LYS 8 CO -0.62 -0.64 0.26 1.96 -2.27 0.00 0.00 179.45 178.14 3knn h GLN 9 N -1.18 0.50 -0.61 1.90 1.08 0.47 -0.45 115.11 116.82 3knn h GLN 9 Ca -0.10 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.16 3knn h GLN 9 Cb 0.80 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 3knn h GLN 9 CO 0.17 0.33 0.41 1.57 -0.95 0.00 0.00 178.83 180.36 3knn h LYS 10 N 0.51 0.42 -0.03 1.46 5.09 0.14 0.38 116.57 124.55 3knn h LYS 10 Ca 0.19 -0.03 -0.07 0.00 0.09 0.00 0.00 60.65 60.83 3knn h LYS 10 Cb 0.04 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.28 3knn h LYS 10 CO -0.10 0.28 -0.25 0.28 -2.09 0.00 0.00 179.45 177.57 3knn h VAL 11 N 0.44 1.49 0.41 0.07 2.07 -0.67 -2.88 116.25 117.18 3knn h VAL 11 Ca 0.28 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 3knn h VAL 11 Cb 0.52 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 3knn h VAL 11 CO -0.08 0.50 -0.45 0.40 0.02 0.00 0.00 177.57 177.96 3knn h ILE 12 N -0.37 0.00 0.00 4.57 2.04 0.06 0.40 117.51 124.21 3knn h ILE 12 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3knn h ILE 12 Cb 0.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3knn h ILE 12 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.20 3knn n GLN 13 N -5.13 0.00 -0.00 2.37 6.02 0.12 -0.52 117.38 120.24 3knn n GLN 13 Ca -0.10 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3knn n GLN 13 Cb 0.40 -1.32 -0.11 0.00 1.02 0.00 0.00 30.24 30.23 3knn n GLN 13 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3knn n GLU 14 N -0.79 0.99 0.00 -1.09 4.07 0.14 -4.72 120.64 119.24 3knn n GLU 14 Ca 0.00 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 3knn n GLU 14 Cb 0.00 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 3knn n GLU 14 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3knn n PHE 15 N -1.81 0.00 -1.65 4.31 3.01 0.32 -5.06 117.46 116.59 3knn n PHE 15 Ca -0.01 0.00 -0.62 0.00 1.01 0.00 0.00 57.45 57.83 3knn n PHE 15 Cb 0.34 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.73 3knn n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3knn n ALA 16 N -0.99 -1.89 0.17 4.37 0.00 -0.36 -4.74 120.51 117.07 3knn n ALA 16 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 53.44 53.97 3knn n ALA 16 Cb 0.05 -1.93 0.09 0.00 0.00 0.00 0.00 19.45 17.66 3knn n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knn n ARG 17 N 3.24 0.06 -3.64 0.00 5.12 -1.26 -4.75 116.66 115.42 3knn n ARG 17 Ca 0.25 0.21 -0.02 0.00 -1.93 0.00 0.00 57.85 56.36 3knn n ARG 17 Cb 0.04 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.81 3knn n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3knn s PHE 18 N -2.48 -0.02 -0.83 -1.55 -0.12 -1.26 -5.01 117.98 106.71 3knn s PHE 18 Ca 0.04 0.02 -0.22 0.00 -0.05 0.00 0.00 56.93 56.72 3knn s PHE 18 Cb 0.02 0.50 -0.20 0.00 -0.63 0.00 0.00 43.02 42.71 3knn s PHE 18 CO 0.05 -0.02 2.40 -2.30 -0.05 0.00 0.00 175.22 175.29 3knn n PRO 19 N 0.19 0.38 0.00 1.99 -0.02 -1.26 0.12 135.00 136.39 3knn n PRO 19 Ca 0.03 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3knn n PRO 19 Cb 0.57 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3knn n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knn n GLY 20 N 6.20 1.55 3.62 -1.23 0.00 -1.26 -5.08 105.19 108.98 3knn n GLY 20 Ca 0.55 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 3knn n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knn s ASP 21 N -1.29 5.87 0.00 1.61 3.68 0.33 -4.89 116.67 121.98 3knn s ASP 21 Ca 0.00 2.01 0.00 0.00 2.13 0.00 0.00 52.55 56.69 3knn s ASP 21 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 3knn s ASP 21 CO 0.00 -1.61 0.00 0.35 0.13 0.00 0.00 175.17 174.04 3knn n THR 22 N 6.98 0.00 0.00 1.71 -2.24 -1.26 -4.59 114.28 114.88 3knn n THR 22 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3knn n THR 22 Cb 0.44 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3knn n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3knn n GLY 23 N 3.24 -2.69 0.00 3.38 0.00 -1.26 -4.72 105.19 103.14 3knn n GLY 23 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3knn n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3knn n SER 24 N 0.00 -0.06 0.00 1.61 2.88 -1.26 -4.52 113.62 112.27 3knn n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3knn n SER 24 Cb 0.00 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3knn n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3knn n THR 25 N 0.51 0.00 0.00 2.46 -1.04 -1.26 0.02 114.28 114.97 3knn n THR 25 Ca 0.00 0.92 0.00 0.00 -2.04 0.00 0.00 64.05 62.93 3knn n THR 25 Cb 0.00 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 3knn n THR 25 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3knn n GLU 26 N -0.84 0.00 0.04 -2.82 0.00 -1.26 -1.45 120.64 114.31 3knn n GLU 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3knn n GLU 26 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 31.44 30.22 3knn n GLU 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3knn n VAL 27 N -0.42 0.61 0.03 3.84 0.31 -0.47 -4.26 118.33 117.96 3knn n VAL 27 Ca 0.00 0.20 0.20 0.00 -0.01 0.00 0.00 64.34 64.73 3knn n VAL 27 Cb 0.00 -1.40 0.53 0.00 -0.91 0.00 0.00 33.84 32.06 3knn n VAL 27 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3knn h GLN 28 N 0.00 0.00 0.24 5.55 4.20 0.76 0.49 115.11 126.35 3knn h GLN 28 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3knn h GLN 28 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3knn h GLN 28 CO 0.00 0.00 -0.11 0.28 -0.67 0.00 0.00 178.83 178.33 3knn h VAL 29 N 0.00 0.19 -0.31 -0.54 2.07 -1.60 -3.12 116.25 112.95 3knn h VAL 29 Ca 0.27 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3knn h VAL 29 Cb 1.92 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 3knn h VAL 29 CO -0.00 0.05 -0.50 0.00 0.02 0.00 0.00 177.57 177.14 3knn h ALA 30 N -0.94 -0.69 -0.59 1.67 0.00 -0.22 0.09 119.26 118.59 3knn h ALA 30 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.99 3knn h ALA 30 Cb 0.33 0.99 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 3knn h ALA 30 CO 0.05 -1.00 -0.30 -0.07 0.00 0.00 0.00 179.25 177.94 3knn h LEU 31 N -0.44 -1.04 -0.07 0.00 -0.00 -1.58 -1.34 115.31 110.85 3knn h LEU 31 Ca 0.08 0.22 0.04 0.00 -0.00 0.00 0.00 57.88 58.22 3knn h LEU 31 Cb 0.62 0.54 -0.06 0.00 -0.00 0.00 0.00 40.66 41.76 3knn h LEU 31 CO -0.53 -0.29 -0.32 -0.07 -0.00 0.00 0.00 178.44 177.23 3knn h LEU 32 N -0.14 -0.98 -0.31 1.67 3.38 -1.16 0.23 115.31 118.01 3knn h LEU 32 Ca 0.25 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.40 3knn h LEU 32 Cb 0.54 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3knn h LEU 32 CO -0.67 -0.37 -0.51 0.74 0.09 0.00 0.00 178.44 177.72 3knn h THR 33 N -0.43 0.04 -0.49 0.22 2.02 0.02 0.79 112.91 115.08 3knn h THR 33 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 3knn h THR 33 Cb 0.55 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 66.90 3knn h THR 33 CO -0.31 0.00 -0.21 0.25 0.37 0.00 0.00 175.52 175.62 3knn h LEU 34 N -0.45 -0.73 -1.85 2.58 6.46 -0.71 0.35 115.31 120.96 3knn h LEU 34 Ca 0.08 0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3knn h LEU 34 Cb 0.62 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 3knn h LEU 34 CO -0.53 -0.24 0.03 0.03 -0.62 0.00 0.00 178.44 177.11 3knn h ARG 35 N -0.10 0.13 0.02 1.25 3.08 0.10 -2.01 114.38 116.86 3knn h ARG 35 Ca 0.23 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3knn h ARG 35 Cb 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3knn h ARG 35 CO -0.56 0.11 -0.01 0.82 -1.07 0.00 0.00 179.97 179.26 3knn h ILE 36 N 0.13 0.00 -1.32 2.04 2.04 0.41 -2.16 117.51 118.66 3knn h ILE 36 Ca 0.03 -0.24 0.39 0.00 1.00 0.00 0.00 64.86 66.04 3knn h ILE 36 Cb 0.04 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.03 3knn h ILE 36 CO -0.00 0.00 0.91 0.78 0.00 0.00 0.00 178.15 179.83 3knn h ASN 37 N -0.27 0.16 0.55 1.72 -0.26 -0.60 1.19 115.58 118.07 3knn h ASN 37 Ca -0.00 0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.76 3knn h ASN 37 Cb 0.02 0.03 0.01 0.00 -1.06 0.00 0.00 38.32 37.32 3knn h ASN 37 CO 0.01 -0.02 -0.27 0.03 -1.06 0.00 0.00 177.43 176.12 3knn h ARG 38 N 0.11 -0.72 0.00 0.81 2.47 -1.47 -2.90 114.38 112.68 3knn h ARG 38 Ca 0.69 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.46 3knn h ARG 38 Cb 2.42 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 30.90 3knn h ARG 38 CO -0.17 -0.48 0.00 1.25 0.56 0.00 0.00 179.97 181.13 3knn h LEU 39 N -1.14 0.00 -0.15 3.04 7.12 0.56 -1.14 115.31 123.59 3knn h LEU 39 Ca -0.08 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.84 3knn h LEU 39 Cb 0.57 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 3knn h LEU 39 CO 0.12 0.00 -0.25 -1.28 -0.13 0.00 0.00 178.44 176.90 3knn h SER 40 N 0.00 0.49 -0.88 1.25 0.87 0.12 -2.89 113.55 112.52 3knn h SER 40 Ca 0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 3knn h SER 40 Cb 0.06 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3knn h SER 40 CO 0.00 0.93 0.56 -0.08 -0.53 0.00 0.00 176.83 177.71 3knn h GLU 41 N 0.07 1.17 -0.03 2.24 4.57 -1.01 0.41 114.58 122.01 3knn h GLU 41 Ca 0.01 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3knn h GLU 41 Cb 0.83 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3knn h GLU 41 CO 0.06 0.80 -0.00 1.25 -1.18 0.00 0.00 179.01 179.93 3knn h HIS 42 N 1.20 -0.00 0.00 0.92 2.76 -1.50 -1.31 115.15 117.22 3knn h HIS 42 Ca 0.32 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 3knn h HIS 42 Cb -0.10 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 3knn h HIS 42 CO -0.01 -0.01 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.44 3knn h LEU 43 N 0.01 0.00 -0.18 0.26 3.38 -1.21 0.28 115.31 117.85 3knn h LEU 43 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3knn h LEU 43 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3knn h LEU 43 CO -0.02 0.11 0.00 1.17 0.09 0.00 0.00 178.44 179.78 3knn n LYS 44 N -3.32 0.04 0.00 1.13 4.81 0.14 -2.55 118.16 118.41 3knn n LYS 44 Ca -0.00 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3knn n LYS 44 Cb 0.31 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3knn n LYS 44 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3knn n VAL 45 N -1.66 0.00 -2.10 3.15 0.31 -0.27 -4.78 118.33 112.99 3knn n VAL 45 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.99 3knn n VAL 45 Cb 0.16 -0.57 0.03 0.00 -0.91 0.00 0.00 33.84 32.55 3knn n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3knn n HIS 46 N -2.40 3.10 0.00 3.52 8.25 0.83 -4.86 115.22 123.66 3knn n HIS 46 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 3knn n HIS 46 Cb 0.49 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.72 3knn n HIS 46 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3knn n LYS 47 N -0.51 0.00 0.00 -0.41 2.85 -1.06 0.69 118.16 119.72 3knn n LYS 47 Ca 0.50 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.78 3knn n LYS 47 Cb 0.35 -1.06 -0.01 0.00 -0.65 0.00 0.00 35.03 33.66 3knn n LYS 47 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3knn n LYS 48 N -0.20 3.53 -1.53 -1.58 4.76 -1.26 -4.79 118.16 117.09 3knn n LYS 48 Ca 0.00 -0.27 -0.40 0.00 -2.87 0.00 0.00 58.31 54.76 3knn n LYS 48 Cb 0.00 -0.84 -0.02 0.00 -1.84 0.00 0.00 35.03 32.34 3knn n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3knn n ASP 49 N -0.62 6.49 0.30 4.39 -0.08 0.22 -4.73 116.55 122.52 3knn n ASP 49 Ca 0.01 -2.71 0.17 0.00 -1.51 0.00 0.00 54.79 50.75 3knn n ASP 49 Cb 0.08 -1.60 0.97 0.00 2.34 0.00 0.00 41.12 42.91 3knn n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 3knn h HIS 50 N 5.46 0.00 -0.05 -0.67 3.86 -1.86 -2.67 115.15 119.21 3knn h HIS 50 Ca 0.73 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.72 3knn h HIS 50 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3knn h HIS 50 CO 1.68 0.01 -0.86 0.45 0.86 0.00 0.00 177.93 180.07 3knn h HIS 51 N 0.00 0.76 0.00 2.45 3.86 -1.99 -2.87 115.15 117.35 3knn h HIS 51 Ca -0.00 -0.37 -0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3knn h HIS 51 Cb 0.05 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 3knn h HIS 51 CO 0.00 1.18 -0.01 0.77 0.86 0.00 0.00 177.93 180.73 3knn h SER 52 N 0.33 0.00 -0.43 2.45 0.02 -1.89 -2.92 113.55 111.12 3knn h SER 52 Ca -0.07 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 3knn h SER 52 Cb 1.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 3knn h SER 52 CO 0.16 0.01 -0.05 -0.74 -1.14 0.00 0.00 176.83 175.07 3knn h HIS 53 N 0.00 0.88 -0.91 3.45 2.76 -1.36 -2.78 115.15 117.19 3knn h HIS 53 Ca -0.00 -0.17 0.26 0.00 -2.20 0.00 0.00 60.37 58.26 3knn h HIS 53 Cb 0.78 -0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.37 3knn h HIS 53 CO 0.00 0.88 0.26 -0.09 -1.30 0.00 0.00 177.93 177.68 3knn h ARG 54 N 0.63 0.18 -0.02 5.26 9.65 -1.30 0.13 114.38 128.91 3knn h ARG 54 Ca 0.12 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3knn h ARG 54 Cb 0.56 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3knn h ARG 54 CO 0.03 0.12 0.01 0.78 2.80 0.00 0.00 179.97 183.70 3knn h GLY 55 N 0.18 0.02 -0.20 2.80 0.00 -1.60 -2.33 103.07 101.94 3knn h GLY 55 Ca 0.60 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.99 3knn h GLY 55 CO -0.69 0.01 -0.34 -2.00 0.00 0.00 0.00 176.54 173.52 3knn h LEU 56 N -0.14 -1.14 -1.56 3.11 5.85 -0.77 1.83 115.31 122.48 3knn h LEU 56 Ca 0.00 0.20 0.23 0.00 0.84 0.00 0.00 57.88 59.15 3knn h LEU 56 Cb 0.17 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 3knn h LEU 56 CO -0.00 -0.33 0.63 -0.07 -0.34 0.00 0.00 178.44 178.33 3knn h LEU 57 N -0.26 0.35 0.07 2.25 3.38 -1.21 0.83 115.31 120.71 3knn h LEU 57 Ca 0.17 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3knn h LEU 57 Cb 0.55 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3knn h LEU 57 CO -0.55 0.12 -0.59 0.24 0.09 0.00 0.00 178.44 177.75 3knn h MET 58 N 0.34 0.28 0.76 1.13 2.86 0.12 -2.25 114.93 118.16 3knn h MET 58 Ca 0.50 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3knn h MET 58 Cb 1.36 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3knn h MET 58 CO -0.18 1.13 -0.40 0.52 1.06 0.00 0.00 176.91 179.05 3knn h MET 59 N -0.38 -1.03 -0.91 1.72 2.86 0.43 0.38 114.93 117.99 3knn h MET 59 Ca -0.09 0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.82 3knn h MET 59 Cb 1.39 0.23 -0.07 0.00 0.06 0.00 0.00 31.60 33.21 3knn h MET 59 CO 0.11 -0.68 0.60 0.28 1.06 0.00 0.00 176.91 178.28 3knn h VAL 60 N -1.07 0.69 -0.26 -2.22 2.07 0.46 0.61 116.25 116.52 3knn h VAL 60 Ca -0.10 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3knn h VAL 60 Cb 0.83 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3knn h VAL 60 CO 0.15 0.08 -0.39 1.23 0.02 0.00 0.00 177.57 178.66 3knn h GLY 61 N 0.46 0.67 0.57 2.17 0.00 -0.71 -1.74 103.07 104.48 3knn h GLY 61 Ca 0.48 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3knn h GLY 61 CO -0.20 0.59 -0.02 -1.61 0.00 0.00 0.00 176.54 175.30 3knn h GLN 62 N 0.51 0.07 0.00 4.80 5.75 0.43 -2.69 115.11 123.97 3knn h GLN 62 Ca 0.05 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3knn h GLN 62 Cb 0.90 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3knn h GLN 62 CO 0.08 0.52 0.00 -0.09 -2.65 0.00 0.00 178.83 176.69 3knn h ARG 63 N -0.38 0.00 0.25 1.69 2.43 -0.33 -1.75 114.38 116.29 3knn h ARG 63 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3knn h ARG 63 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3knn h ARG 63 CO 0.01 0.00 -0.12 -0.09 -1.51 0.00 0.00 179.97 178.26 3knn h ARG 64 N 0.00 -0.32 0.05 0.20 2.43 -0.97 -2.84 114.38 112.92 3knn h ARG 64 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3knn h ARG 64 Cb 0.02 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3knn h ARG 64 CO 0.00 0.01 -0.02 0.00 -1.51 0.00 0.00 179.97 178.45 3knn h ARG 65 N -0.94 -0.06 0.00 0.20 -0.00 -1.44 0.20 114.38 112.33 3knn h ARG 65 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 3knn h ARG 65 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.47 3knn h ARG 65 CO 0.06 0.35 0.09 -0.11 0.00 0.00 0.00 179.97 180.36 3knn n LEU 66 N -4.92 0.00 -0.07 3.04 7.94 -0.67 -0.64 117.00 121.68 3knn n LEU 66 Ca -0.08 0.30 -0.10 0.00 -1.11 0.00 0.00 56.01 55.02 3knn n LEU 66 Cb 0.23 -0.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.81 3knn n LEU 66 CO 0.33 -0.30 -0.97 -0.11 -1.11 0.00 0.00 177.39 175.22 3knn n LEU 67 N -1.28 2.89 -0.19 -1.96 0.00 -0.84 -4.25 117.00 111.37 3knn n LEU 67 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 56.01 55.90 3knn n LEU 67 Cb 0.09 -0.50 0.12 0.00 0.00 0.00 0.00 43.42 43.13 3knn n LEU 67 CO 0.00 0.72 0.95 -0.09 0.00 0.00 0.00 177.39 178.97 3knn h ARG 68 N -0.03 0.97 0.01 1.96 2.43 0.12 -0.57 114.38 119.27 3knn h ARG 68 Ca -0.33 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3knn h ARG 68 Cb 1.49 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.86 3knn h ARG 68 CO -0.06 0.87 -0.50 -0.92 -1.51 0.00 0.00 179.97 177.85 3knn h TYR 69 N 0.92 -1.47 -0.35 2.20 3.20 -1.11 0.36 116.97 120.73 3knn h TYR 69 Ca 0.20 0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.19 3knn h TYR 69 Cb 0.35 0.64 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 3knn h TYR 69 CO 0.02 -0.54 -0.29 1.25 -1.64 0.00 0.00 178.16 176.96 3knn h LEU 70 N -0.64 -0.96 -0.64 2.82 5.85 -1.65 0.17 115.31 120.26 3knn h LEU 70 Ca 0.01 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.03 3knn h LEU 70 Cb 0.68 0.45 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 3knn h LEU 70 CO -0.33 -0.30 -0.18 -0.61 -0.34 0.00 0.00 178.44 176.68 3knn h GLN 71 N -0.25 -0.02 -0.15 1.25 -0.00 -0.03 0.31 115.11 116.22 3knn h GLN 71 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 3knn h GLN 71 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.99 3knn h GLN 71 CO -0.49 -0.01 0.09 -0.09 0.00 0.00 0.00 178.83 178.32 3knn h ARG 72 N -0.02 0.21 0.47 1.69 2.43 0.12 -2.91 114.38 116.38 3knn h ARG 72 Ca 0.30 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3knn h ARG 72 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3knn h ARG 72 CO -0.67 0.19 -0.23 0.93 -1.51 0.00 0.00 179.97 178.69 3knn h GLU 73 N 0.17 -0.61 -3.43 0.20 4.39 0.15 -3.42 114.58 112.03 3knn h GLU 73 Ca 0.05 0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.18 3knn h GLU 73 Cb 0.04 0.14 -0.40 0.00 -0.10 0.00 0.00 28.75 28.43 3knn h GLU 73 CO -0.01 -0.41 -0.71 0.34 -1.16 0.00 0.00 179.01 177.06 3knn s ASP 74 N -4.30 4.03 0.22 1.42 -1.08 0.97 -4.97 116.67 112.97 3knn s ASP 74 Ca -0.09 -2.47 -0.07 0.00 -0.52 0.00 0.00 52.55 49.40 3knn s ASP 74 Cb 0.01 -1.23 0.33 0.00 -1.46 0.00 0.00 42.92 40.57 3knn s ASP 74 CO 0.28 -0.30 1.78 1.55 0.52 0.00 0.00 175.17 179.00 3knn h PRO 75 N 7.05 0.61 0.00 4.34 0.13 -1.66 -2.19 132.00 140.28 3knn h PRO 75 Ca -0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3knn h PRO 75 Cb 0.95 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3knn h PRO 75 CO 0.53 0.40 0.00 -1.91 -0.23 0.00 0.00 178.00 176.79 3knn n GLU 76 N -4.84 0.00 0.08 0.86 4.07 -1.26 -0.07 120.64 119.48 3knn n GLU 76 Ca 0.11 0.25 0.18 0.00 -0.06 0.00 0.00 57.16 57.63 3knn n GLU 76 Cb 0.26 -0.91 0.49 0.00 -0.06 0.00 0.00 31.44 31.22 3knn n GLU 76 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 3knn h ARG 77 N 0.00 0.00 0.44 5.31 0.11 -1.96 0.48 114.38 118.76 3knn h ARG 77 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3knn h ARG 77 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3knn h ARG 77 CO 0.00 0.00 -0.21 -0.92 0.10 0.00 0.00 179.97 178.94 3knn h TYR 78 N 0.00 -0.55 -0.76 4.08 3.20 -0.47 1.33 116.97 123.81 3knn h TYR 78 Ca 0.22 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.24 3knn h TYR 78 Cb 1.85 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 40.25 3knn h TYR 78 CO 0.00 -0.34 0.51 0.00 -1.64 0.00 0.00 178.16 176.69 3knn h ARG 79 N -0.79 0.33 0.27 1.82 3.08 0.35 0.70 114.38 120.14 3knn h ARG 79 Ca -0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3knn h ARG 79 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3knn h ARG 79 CO 0.10 0.22 -0.13 0.00 -1.07 0.00 0.00 179.97 179.09 3knn h ALA 80 N 1.65 -0.36 -0.39 0.04 0.00 -0.75 0.20 119.26 119.65 3knn h ALA 80 Ca 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3knn h ALA 80 Cb 0.96 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3knn h ALA 80 CO -0.11 -0.60 0.17 1.25 0.00 0.00 0.00 179.25 179.96 3knn h LEU 81 N -0.56 0.48 -0.11 0.00 5.85 0.39 0.36 115.31 121.71 3knn h LEU 81 Ca -0.04 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 3knn h LEU 81 Cb 0.41 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.33 3knn h LEU 81 CO 0.06 0.42 -0.77 0.40 -0.34 0.00 0.00 178.44 178.22 3knn h ILE 82 N 0.54 1.30 -0.06 4.05 1.08 0.55 -2.78 117.51 122.18 3knn h ILE 82 Ca 0.14 -2.00 -0.03 0.00 -0.39 0.00 0.00 64.86 62.59 3knn h ILE 82 Cb 0.08 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 3knn h ILE 82 CO -0.02 0.62 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.93 3knn h GLU 83 N 0.42 0.15 -0.63 2.37 4.81 -0.38 0.22 114.58 121.54 3knn h GLU 83 Ca -0.06 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3knn h GLU 83 Cb 1.41 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.68 3knn h GLU 83 CO 0.16 0.59 -0.46 -0.22 -0.73 0.00 0.00 179.01 178.34 3knn h LYS 84 N -0.28 -0.20 -0.00 1.92 3.64 -0.99 0.43 116.57 121.09 3knn h LYS 84 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3knn h LYS 84 Cb 0.56 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3knn h LYS 84 CO 0.01 -0.13 -0.14 1.28 -2.27 0.00 0.00 179.45 178.20 3knn n LEU 85 N -5.39 0.18 -2.84 5.20 4.77 -1.05 -5.01 117.00 112.87 3knn n LEU 85 Ca 0.02 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 3knn n LEU 85 Cb 0.34 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 3knn n LEU 85 CO -0.03 0.04 -0.49 0.61 -1.33 0.00 0.00 177.39 176.19 3knn n GLY 86 N 1.47 -3.15 0.00 -0.72 0.00 0.15 -5.06 105.19 97.89 3knn n GLY 86 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3knn n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3knn n ILE 87 N 1.24 0.00 -1.14 -0.61 5.41 -0.86 -5.01 119.36 118.40 3knn n ILE 87 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3knn n ILE 87 Cb 0.25 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 3knn n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3knn n ARG 88 N 0.00 -0.60 0.00 0.38 1.74 -1.26 -4.96 116.66 111.95 3knn n ARG 88 Ca 0.00 0.88 0.13 0.00 -0.77 0.00 0.00 57.85 58.09 3knn n ARG 88 Cb 0.00 -0.97 0.28 0.00 -1.02 0.00 0.00 32.46 30.75 3knn n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52