#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp n ALA 2 N 0.00 0.00 -0.96 3.04 0.00 -1.26 -4.97 120.51 116.36 1cnp n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1cnp n ALA 2 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cnp s SER 3 N 0.00 2.76 0.22 0.00 0.01 -1.26 -4.62 113.70 110.81 1cnp s SER 3 Ca 0.00 1.61 -0.08 0.00 1.31 0.00 0.00 55.95 58.79 1cnp s SER 3 Cb 0.00 -2.26 0.35 0.00 0.21 0.00 0.00 66.02 64.31 1cnp s SER 3 CO 0.00 -3.11 1.70 -0.65 0.41 0.00 0.00 173.24 171.59 1cnp h PRO 4 N -1.87 0.25 0.34 12.44 0.11 -2.01 0.13 132.00 141.38 1cnp h PRO 4 Ca -0.51 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1cnp h PRO 4 Cb 1.29 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1cnp h PRO 4 CO 0.51 0.16 -0.29 -0.07 -0.21 0.00 0.00 178.00 178.10 1cnp h LEU 5 N 0.25 -0.78 -0.63 2.35 3.38 -1.99 0.75 115.31 118.65 1cnp h LEU 5 Ca 0.35 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.51 1cnp h LEU 5 Cb 0.55 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 1cnp h LEU 5 CO -0.45 -0.43 -0.11 0.44 0.09 0.00 0.00 178.44 177.98 1cnp h ASP 6 N -0.65 -0.49 -0.52 -0.43 5.19 -1.69 0.21 116.42 118.05 1cnp h ASP 6 Ca -0.02 0.18 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 1cnp h ASP 6 Cb 0.57 0.35 -0.04 0.00 0.18 0.00 0.00 39.33 40.40 1cnp h ASP 6 CO -0.03 -0.18 0.29 1.56 -3.12 0.00 0.00 179.24 177.76 1cnp h GLN 7 N 0.03 0.56 -0.72 3.56 4.20 -0.50 0.29 115.11 122.53 1cnp h GLN 7 Ca 0.31 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.03 1cnp h GLN 7 Cb 0.49 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1cnp h GLN 7 CO -0.61 0.37 0.44 0.00 -0.67 0.00 0.00 178.83 178.35 1cnp h ALA 8 N 1.25 0.95 -0.61 3.87 0.00 0.16 0.17 119.26 125.05 1cnp h ALA 8 Ca 0.21 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1cnp h ALA 8 Cb 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1cnp h ALA 8 CO -0.12 0.19 0.29 0.82 0.00 0.00 0.00 179.25 180.43 1cnp h ILE 9 N 0.84 0.89 -0.50 0.00 1.08 -0.03 0.10 117.51 119.88 1cnp h ILE 9 Ca 0.30 -0.18 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 1cnp h ILE 9 Cb 0.08 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 34.03 1cnp h ILE 9 CO -0.13 0.10 -0.28 1.23 -0.69 0.00 0.00 178.15 178.37 1cnp h GLY 10 N 0.54 -0.03 0.71 5.37 0.00 0.85 0.21 103.07 110.71 1cnp h GLY 10 Ca 0.29 0.36 0.04 0.00 0.00 0.00 0.00 47.33 48.02 1cnp h GLY 10 CO -0.23 -0.21 0.09 1.41 0.00 0.00 0.00 176.54 177.60 1cnp h LEU 11 N -0.16 0.08 -0.94 3.11 3.38 0.52 0.32 115.31 121.62 1cnp h LEU 11 Ca 0.22 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1cnp h LEU 11 Cb 0.52 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1cnp h LEU 11 CO -0.60 0.08 0.61 -0.07 0.09 0.00 0.00 178.44 178.55 1cnp h LEU 12 N 0.22 0.98 -0.58 1.67 4.07 -0.05 0.17 115.31 121.79 1cnp h LEU 12 Ca 0.14 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.13 1cnp h LEU 12 Cb 0.12 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 1cnp h LEU 12 CO -0.16 0.64 0.35 0.40 -1.08 0.00 0.00 178.44 178.60 1cnp h ILE 13 N 1.13 1.07 0.01 1.22 2.04 -0.08 0.52 117.51 123.42 1cnp h ILE 13 Ca 0.40 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1cnp h ILE 13 Cb 0.11 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1cnp h ILE 13 CO -0.15 0.13 -0.31 1.23 0.00 0.00 0.00 178.15 179.04 1cnp h GLY 14 N 0.70 -1.23 0.26 5.37 0.00 0.91 -0.40 103.07 108.67 1cnp h GLY 14 Ca 0.23 0.63 0.09 0.00 0.00 0.00 0.00 47.33 48.28 1cnp h GLY 14 CO -0.09 -0.36 0.02 -2.22 0.00 0.00 0.00 176.54 173.89 1cnp h ILE 15 N -0.40 0.65 0.00 2.60 5.03 -0.50 0.25 117.51 125.15 1cnp h ILE 15 Ca 0.01 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1cnp h ILE 15 Cb 0.42 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1cnp h ILE 15 CO -0.20 0.02 0.00 0.33 -0.68 0.00 0.00 178.15 177.62 1cnp n PHE 16 N -5.20 0.00 0.97 1.37 7.35 0.15 -2.71 117.46 119.39 1cnp n PHE 16 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 1cnp n PHE 16 Cb 0.25 -0.31 0.54 0.00 0.35 0.00 0.00 39.48 40.31 1cnp n PHE 16 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1cnp n HIS 17 N -2.11 0.00 0.32 -5.13 8.25 -0.17 -2.33 115.22 114.05 1cnp n HIS 17 Ca 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.67 1cnp n HIS 17 Cb 0.00 -0.36 1.02 0.00 1.12 0.00 0.00 29.99 31.77 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1cnp h LYS 18 N 0.00 0.00 0.16 -0.41 3.64 -0.31 -3.08 116.57 116.58 1cnp h LYS 18 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 1cnp h LYS 18 Cb 0.27 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1cnp h LYS 18 CO 0.00 0.00 -1.87 1.88 -2.27 0.00 0.00 179.45 177.19 1cnp h TYR 19 N 0.00 0.61 0.00 1.91 -1.99 -1.53 -3.37 116.97 112.60 1cnp h TYR 19 Ca -0.00 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1cnp h TYR 19 Cb 0.20 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.91 1cnp h TYR 19 CO 0.00 1.74 0.00 -1.13 -0.00 0.00 0.00 178.16 178.77 1cnp n SER 20 N -3.54 0.00 0.43 3.88 3.41 -1.16 -2.66 113.62 113.97 1cnp n SER 20 Ca -0.28 0.07 -0.18 0.00 -0.26 0.00 0.00 58.87 58.22 1cnp n SER 20 Cb 1.06 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.85 1cnp n SER 20 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1cnp h GLY 21 N 0.00 -1.13 0.00 5.00 0.00 -1.72 -3.41 103.07 101.81 1cnp h GLY 21 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1cnp h GLY 21 CO 0.00 -0.41 0.00 0.58 0.00 0.00 0.00 176.54 176.71 1cnp n LYS 22 N -5.52 0.00 -0.37 4.80 2.85 -1.09 -4.80 118.16 114.03 1cnp n LYS 22 Ca -0.14 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.13 1cnp n LYS 22 Cb 0.44 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 34.97 1cnp n LYS 22 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1cnp h GLU 23 N 0.00 1.22 -6.12 -1.58 9.09 -1.89 -3.45 114.58 111.85 1cnp h GLU 23 Ca 0.00 -0.07 -0.66 0.00 0.05 0.00 0.00 59.36 58.68 1cnp h GLU 23 Cb 0.00 -0.27 0.11 0.00 -1.65 0.00 0.00 28.75 26.93 1cnp h GLU 23 CO 0.00 0.80 -0.33 0.41 0.05 0.00 0.00 179.01 179.94 1cnp n GLY 24 N -1.37 -1.30 3.50 1.06 0.00 -1.26 -4.91 105.19 100.91 1cnp n GLY 24 Ca 0.14 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cnp n ASP 25 N 1.80 -0.27 -2.76 1.61 2.03 -1.26 -4.59 116.55 113.11 1cnp n ASP 25 Ca 0.16 0.93 -0.39 0.00 0.52 0.00 0.00 54.79 56.01 1cnp n ASP 25 Cb 0.26 -1.19 0.05 0.00 -0.72 0.00 0.00 41.12 39.52 1cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cnp n LYS 26 N 0.37 2.75 0.00 -0.67 4.01 -1.26 -4.34 118.16 119.01 1cnp n LYS 26 Ca 0.11 -3.47 0.00 0.00 -0.51 0.00 0.00 58.31 54.44 1cnp n LYS 26 Cb 0.40 -2.27 0.00 0.00 -0.51 0.00 0.00 35.03 32.65 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1cnp n HIS 27 N -0.64 -0.79 -0.86 2.13 1.44 -1.26 -5.12 115.22 110.12 1cnp n HIS 27 Ca 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 1cnp n HIS 27 Cb 0.35 0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1cnp n HIS 27 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1cnp n THR 28 N -1.72 0.00 -3.93 0.61 -2.24 -1.26 -4.84 114.28 100.90 1cnp n THR 28 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1cnp n THR 28 Cb 0.00 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1cnp n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cnp s LEU 29 N 0.00 1.52 0.32 3.22 1.43 0.10 -4.67 118.68 120.61 1cnp s LEU 29 Ca 0.00 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1cnp s LEU 29 Cb 0.00 -0.14 -0.10 0.00 0.03 0.00 0.00 46.19 45.97 1cnp s LEU 29 CO 0.00 -0.05 1.26 -0.44 0.23 0.00 0.00 176.35 177.35 1cnp s SER 30 N 0.55 6.87 0.24 2.29 0.01 -1.26 -2.76 113.70 119.64 1cnp s SER 30 Ca -0.05 2.60 -0.13 0.00 1.31 0.00 0.00 55.95 59.68 1cnp s SER 30 Cb -0.08 -2.64 0.30 0.00 0.21 0.00 0.00 66.02 63.81 1cnp s SER 30 CO -0.01 -0.46 1.58 0.50 0.41 0.00 0.00 173.24 175.27 1cnp h LYS 31 N 3.46 -0.03 -0.84 12.44 1.63 -1.91 0.20 116.57 131.52 1cnp h LYS 31 Ca -0.48 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.51 1cnp h LYS 31 Cb 1.22 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.74 1cnp h LYS 31 CO 0.66 -0.02 0.30 -0.22 -3.45 0.00 0.00 179.45 176.72 1cnp h LYS 32 N -0.03 0.34 -0.55 1.90 3.11 -1.99 0.14 116.57 119.49 1cnp h LYS 32 Ca 0.36 -0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 58.09 1cnp h LYS 32 Cb 0.60 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1cnp h LYS 32 CO -0.85 0.23 -0.04 0.93 -2.81 0.00 0.00 179.45 176.91 1cnp h GLU 33 N 0.35 0.99 -0.47 1.90 4.39 -0.98 -0.37 114.58 120.39 1cnp h GLU 33 Ca 0.50 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1cnp h GLU 33 Cb 0.91 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1cnp h GLU 33 CO -0.52 0.99 -0.06 1.25 -1.16 0.00 0.00 179.01 179.51 1cnp h LEU 34 N 0.90 0.80 -1.24 1.33 5.85 -0.77 0.19 115.31 122.36 1cnp h LEU 34 Ca 0.16 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1cnp h LEU 34 Cb 0.57 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1cnp h LEU 34 CO 0.03 0.90 0.52 0.11 -0.34 0.00 0.00 178.44 179.66 1cnp h LYS 35 N 0.75 0.99 -0.27 1.25 1.79 -0.66 0.31 116.57 120.74 1cnp h LYS 35 Ca 0.13 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1cnp h LYS 35 Cb 0.54 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1cnp h LYS 35 CO 0.03 0.66 -0.13 1.49 -1.08 0.00 0.00 179.45 180.42 1cnp h GLU 36 N 1.02 0.56 0.31 3.15 4.81 -0.24 -3.36 114.58 120.83 1cnp h GLU 36 Ca 0.30 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1cnp h GLU 36 Cb -0.06 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1cnp h GLU 36 CO -0.07 0.81 -0.15 1.25 -0.73 0.00 0.00 179.01 180.12 1cnp h LEU 37 N 0.30 -0.35 -0.80 1.64 6.46 -0.29 -3.35 115.31 118.92 1cnp h LEU 37 Ca 0.06 0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.01 1cnp h LEU 37 Cb 0.64 0.09 -0.15 0.00 -0.73 0.00 0.00 40.66 40.51 1cnp h LEU 37 CO 0.04 -0.23 -0.14 0.00 -0.62 0.00 0.00 178.44 177.49 1cnp n ILE 38 N -3.23 -0.33 -0.34 4.05 3.06 0.07 -1.76 119.36 120.87 1cnp n ILE 38 Ca -0.05 1.80 0.14 0.00 -2.50 0.00 0.00 62.75 62.14 1cnp n ILE 38 Cb 0.16 -2.53 0.35 0.00 0.54 0.00 0.00 39.64 38.17 1cnp n ILE 38 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 1cnp h GLN 39 N 0.00 0.69 0.00 9.51 1.08 -1.74 -3.25 115.11 121.40 1cnp h GLN 39 Ca 0.41 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1cnp h GLN 39 Cb 0.69 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1cnp h GLN 39 CO -0.80 0.46 0.00 1.63 -0.95 0.00 0.00 178.83 179.16 1cnp n LYS 40 N -4.73 0.00 -0.21 1.46 4.01 -0.72 -4.50 118.16 113.47 1cnp n LYS 40 Ca 0.23 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 58.05 1cnp n LYS 40 Cb 0.60 -0.04 0.13 0.00 -0.51 0.00 0.00 35.03 35.20 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1cnp h GLU 41 N 0.00 0.24 0.00 1.97 3.07 -1.71 -2.53 114.58 115.62 1cnp h GLU 41 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1cnp h GLU 41 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1cnp h GLU 41 CO 0.00 0.16 0.00 1.28 -1.40 0.00 0.00 179.01 179.05 1cnp n LEU 42 N -5.16 0.00 -4.73 1.33 4.77 -1.22 -4.83 117.00 107.16 1cnp n LEU 42 Ca 0.10 0.49 -0.30 0.00 -0.03 0.00 0.00 56.01 56.28 1cnp n LEU 42 Cb 0.36 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.17 1cnp n LEU 42 CO 0.15 -0.07 0.72 0.42 -1.33 0.00 0.00 177.39 177.28 1cnp s THR 43 N -2.99 1.78 0.50 -5.08 -4.23 -0.95 -4.89 115.64 99.77 1cnp s THR 43 Ca 0.12 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 60.92 1cnp s THR 43 Cb 0.16 -2.69 0.47 0.00 1.34 0.00 0.00 72.50 71.79 1cnp s THR 43 CO 0.45 0.00 1.84 0.16 -0.54 0.00 0.00 174.62 176.54 1cnp h ILE 44 N -2.15 0.53 0.00 2.99 3.07 -1.88 -3.44 117.51 116.62 1cnp h ILE 44 Ca -0.45 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1cnp h ILE 44 Cb 1.28 0.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1cnp h ILE 44 CO 0.38 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 178.11 1cnp n GLY 45 N -1.66 1.41 2.58 0.16 0.00 -1.26 -5.00 105.19 101.41 1cnp n GLY 45 Ca 0.21 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cnp n SER 46 N 0.00 -0.67 -1.61 1.61 7.64 -1.26 -4.99 113.62 114.34 1cnp n SER 46 Ca 0.00 -3.01 -0.13 0.00 1.01 0.00 0.00 58.87 56.74 1cnp n SER 46 Cb 0.00 0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 1cnp n SER 46 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1cnp n LYS 47 N 0.01 -1.48 -4.15 1.43 3.00 -1.26 -0.93 118.16 114.78 1cnp n LYS 47 Ca 0.09 0.73 -0.29 0.00 -0.00 0.00 0.00 58.31 58.84 1cnp n LYS 47 Cb 0.75 -5.06 -0.06 0.00 0.00 0.00 0.00 35.03 30.67 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1cnp n LEU 48 N -2.07 -1.50 -1.45 3.14 7.94 -1.26 -0.44 117.00 121.36 1cnp n LEU 48 Ca -0.13 -1.16 -0.15 0.00 -1.11 0.00 0.00 56.01 53.45 1cnp n LEU 48 Cb 0.47 -1.87 -0.06 0.00 0.53 0.00 0.00 43.42 42.48 1cnp n LEU 48 CO 0.19 0.46 -0.14 0.00 -1.11 0.00 0.00 177.39 176.79 1cnp n GLN 49 N -4.52 -1.34 -4.13 1.96 10.64 -0.10 -3.57 117.38 116.32 1cnp n GLN 49 Ca -0.31 0.88 -0.34 0.00 -1.83 0.00 0.00 57.00 55.40 1cnp n GLN 49 Cb 0.69 -5.16 -0.01 0.00 -0.86 0.00 0.00 30.24 24.89 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1cnp n ASP 50 N -0.72 -3.30 -4.64 2.61 2.03 0.42 -4.91 116.55 108.05 1cnp n ASP 50 Ca -0.15 -0.96 -0.44 0.00 0.52 0.00 0.00 54.79 53.76 1cnp n ASP 50 Cb 0.49 -3.03 -0.01 0.00 -0.72 0.00 0.00 41.12 37.85 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n ALA 51 N -4.45 0.41 -0.29 -1.67 0.00 -1.23 -4.71 120.51 108.57 1cnp n ALA 51 Ca 0.03 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.95 1cnp n ALA 51 Cb 0.52 -2.12 0.27 0.00 0.00 0.00 0.00 19.45 18.11 1cnp n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1cnp h GLU 52 N 2.32 0.35 -0.69 0.00 3.07 -1.97 0.47 114.58 118.13 1cnp h GLU 52 Ca -0.42 -0.02 0.15 0.00 -0.50 0.00 0.00 59.36 58.56 1cnp h GLU 52 Cb 1.32 -0.08 -0.11 0.00 -0.84 0.00 0.00 28.75 29.04 1cnp h GLU 52 CO 0.62 0.23 0.08 0.82 -1.40 0.00 0.00 179.01 179.36 1cnp h ILE 53 N 0.36 0.48 0.43 3.13 1.08 -1.99 0.14 117.51 121.14 1cnp h ILE 53 Ca 0.51 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.90 1cnp h ILE 53 Cb 0.94 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1cnp h ILE 53 CO -0.53 0.03 -0.21 0.58 -0.69 0.00 0.00 178.15 177.34 1cnp h VAL 54 N 0.18 0.16 -0.30 1.67 2.07 -0.43 -3.04 116.25 116.56 1cnp h VAL 54 Ca 0.37 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1cnp h VAL 54 Cb 0.63 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1cnp h VAL 54 CO -0.54 0.04 0.15 0.07 0.02 0.00 0.00 177.57 177.30 1cnp h LYS 55 N -1.10 0.41 -0.98 1.57 2.10 -1.16 0.24 116.57 117.64 1cnp h LYS 55 Ca -0.06 -0.04 0.14 0.00 -2.00 0.00 0.00 60.65 58.69 1cnp h LYS 55 Cb 0.50 -0.08 -0.09 0.00 -0.90 0.00 0.00 32.23 31.66 1cnp h LYS 55 CO 0.10 0.32 0.62 1.25 -2.00 0.00 0.00 179.45 179.73 1cnp h LEU 56 N 0.41 0.84 0.00 7.07 5.85 -0.78 -3.18 115.31 125.52 1cnp h LEU 56 Ca 0.11 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 1cnp h LEU 56 Cb 0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1cnp h LEU 56 CO -0.02 0.41 -0.91 0.23 -0.34 0.00 0.00 178.44 177.82 1cnp n MET 57 N -4.64 0.51 0.32 1.25 2.81 0.56 -4.53 117.12 113.39 1cnp n MET 57 Ca 0.20 0.54 0.21 0.00 -1.81 0.00 0.00 57.70 56.84 1cnp n MET 57 Cb 0.43 -1.71 1.13 0.00 -0.71 0.00 0.00 33.22 32.36 1cnp n MET 57 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1cnp h ASP 58 N -1.00 0.00 0.00 7.83 2.03 -0.84 0.26 116.42 124.70 1cnp h ASP 58 Ca -0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 1cnp h ASP 58 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1cnp h ASP 58 CO -0.11 0.00 0.04 -0.67 -1.03 0.00 0.00 179.24 177.47 1cnp n ASP 59 N -2.98 0.00 0.16 4.15 2.03 -1.20 -4.06 116.55 114.64 1cnp n ASP 59 Ca -0.03 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1cnp n ASP 59 Cb 0.08 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1cnp n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n LEU 60 N -1.31 0.00 0.25 -2.67 -0.00 0.92 -0.65 117.00 113.54 1cnp n LEU 60 Ca 0.00 0.25 0.10 0.00 -0.00 0.00 0.00 56.01 56.35 1cnp n LEU 60 Cb 0.04 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 43.98 1cnp n LEU 60 CO 0.00 -0.25 0.95 -0.78 -0.00 0.00 0.00 177.39 177.32 1cnp h ASP 61 N 0.00 0.00 -0.98 1.45 3.58 -1.87 0.82 116.42 119.42 1cnp h ASP 61 Ca 0.00 0.00 0.28 0.00 0.42 0.00 0.00 57.03 57.73 1cnp h ASP 61 Cb 1.33 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.19 1cnp h ASP 61 CO 0.00 0.00 0.06 0.54 -2.88 0.00 0.00 179.24 176.96 1cnp n ARG 62 N -2.43 -0.08 0.00 0.28 1.74 0.17 -3.92 116.66 112.43 1cnp n ARG 62 Ca -0.01 1.46 0.00 0.00 -0.77 0.00 0.00 57.85 58.53 1cnp n ARG 62 Cb 0.40 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1cnp n ARG 62 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1cnp n ASN 63 N -5.45 0.00 -4.72 0.55 5.15 0.28 -4.77 115.26 106.31 1cnp n ASN 63 Ca 0.24 0.63 -0.42 0.00 -0.60 0.00 0.00 54.58 54.43 1cnp n ASN 63 Cb 0.79 -0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.80 1cnp n ASN 63 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1cnp s LYS 64 N -1.60 4.21 0.00 1.20 2.20 -1.25 -4.35 119.74 120.14 1cnp s LYS 64 Ca 0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1cnp s LYS 64 Cb 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1cnp s LYS 64 CO 0.00 -0.62 0.00 -0.25 -0.36 0.00 0.00 175.35 174.12 1cnp n ASP 65 N 3.93 0.00 0.00 1.43 8.00 -1.26 -4.57 116.55 124.08 1cnp n ASP 65 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1cnp n ASP 65 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cnp n GLN 66 N -0.66 0.00 -0.90 -1.24 6.02 -1.26 -4.81 117.38 114.53 1cnp n GLN 66 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 1cnp n GLN 66 Cb 0.00 0.00 0.15 0.00 1.02 0.00 0.00 30.24 31.41 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1cnp n GLU 67 N 14.00 -0.12 -4.92 -1.09 -0.58 -1.26 -4.91 120.64 121.75 1cnp n GLU 67 Ca 0.00 0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 1cnp n GLU 67 Cb 0.00 -2.39 -0.17 0.00 -0.57 0.00 0.00 31.44 28.31 1cnp n GLU 67 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1cnp s VAL 68 N -2.36 1.75 0.00 2.62 -7.23 -1.11 -5.00 120.40 109.07 1cnp s VAL 68 Ca 0.70 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1cnp s VAL 68 Cb -0.26 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1cnp s VAL 68 CO 0.55 0.49 0.00 -0.46 -0.31 0.00 0.00 175.10 175.37 1cnp n ASN 69 N 3.71 0.51 -0.35 4.85 0.23 -1.26 0.00 115.26 122.94 1cnp n ASN 69 Ca -0.20 -0.47 0.01 0.00 -0.53 0.00 0.00 54.58 53.40 1cnp n ASN 69 Cb 0.52 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.38 1cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1cnp h PHE 70 N 0.12 1.15 0.15 -2.53 3.57 -1.94 0.56 116.94 118.03 1cnp h PHE 70 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1cnp h PHE 70 Cb 0.00 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1cnp h PHE 70 CO 0.00 0.61 -0.44 0.37 -2.23 0.00 0.00 178.31 176.63 1cnp h GLN 71 N 1.15 -0.64 -0.29 1.11 -0.00 -1.99 0.70 115.11 115.15 1cnp h GLN 71 Ca 0.41 0.04 0.04 0.00 -0.00 0.00 0.00 58.65 59.14 1cnp h GLN 71 Cb 0.12 0.14 -0.04 0.00 0.00 0.00 0.00 27.48 27.71 1cnp h GLN 71 CO -0.16 -0.43 0.06 0.93 0.00 0.00 0.00 178.83 179.24 1cnp h GLU 72 N -0.66 0.17 -0.07 1.69 3.07 -1.81 0.20 114.58 117.17 1cnp h GLU 72 Ca -0.01 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1cnp h GLU 72 Cb 0.65 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.46 1cnp h GLU 72 CO -0.21 0.11 -0.43 -0.92 -1.40 0.00 0.00 179.01 176.16 1cnp h TYR 73 N 0.17 -1.24 -0.25 4.33 3.20 -0.63 0.25 116.97 122.81 1cnp h TYR 73 Ca 0.13 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1cnp h TYR 73 Cb 0.14 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1cnp h TYR 73 CO -0.16 -0.49 0.12 0.82 -1.64 0.00 0.00 178.16 176.80 1cnp h ILE 74 N -0.54 1.14 -0.47 1.81 1.08 -0.62 -0.37 117.51 119.54 1cnp h ILE 74 Ca 0.06 -0.40 0.08 0.00 -0.39 0.00 0.00 64.86 64.20 1cnp h ILE 74 Cb 0.65 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 1cnp h ILE 74 CO -0.36 0.14 0.10 0.74 -0.69 0.00 0.00 178.15 178.08 1cnp h THR 75 N 0.28 0.76 0.58 -0.27 2.02 -0.20 0.18 112.91 116.26 1cnp h THR 75 Ca 0.09 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1cnp h THR 75 Cb 0.11 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1cnp h THR 75 CO -0.01 0.04 -0.48 0.15 0.37 0.00 0.00 175.52 175.60 1cnp h PHE 76 N 0.24 -1.30 -0.86 3.16 3.57 -0.43 0.12 116.94 121.44 1cnp h PHE 76 Ca 0.23 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.81 1cnp h PHE 76 Cb 0.29 0.49 -0.10 0.00 2.79 0.00 0.00 35.95 39.42 1cnp h PHE 76 CO -0.21 -0.66 -0.51 -0.11 -2.23 0.00 0.00 178.31 174.59 1cnp n LEU 77 N -5.38 -0.91 0.02 0.59 0.00 -0.16 -0.46 117.00 110.71 1cnp n LEU 77 Ca -0.12 1.61 -0.10 0.00 0.00 0.00 0.00 56.01 57.39 1cnp n LEU 77 Cb 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 43.42 43.60 1cnp n LEU 77 CO 0.28 -1.29 0.69 1.23 0.00 0.00 0.00 177.39 178.30 1cnp h GLY 78 N 0.00 -0.33 0.36 -3.96 0.00 -0.68 -2.56 103.07 95.91 1cnp h GLY 78 Ca 0.14 0.31 0.18 0.00 0.00 0.00 0.00 47.33 47.95 1cnp h GLY 78 CO -0.81 -0.21 0.59 0.00 0.00 0.00 0.00 176.54 176.12 1cnp h ALA 79 N 0.54 1.97 -0.84 3.60 0.00 0.19 0.11 119.26 124.82 1cnp h ALA 79 Ca 0.09 0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.26 1cnp h ALA 79 Cb 0.48 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1cnp h ALA 79 CO -0.28 -0.25 0.60 -0.07 0.00 0.00 0.00 179.25 179.25 1cnp h LEU 80 N 0.58 0.03 -0.78 0.00 3.38 -0.33 0.12 115.31 118.32 1cnp h LEU 80 Ca 0.48 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.62 1cnp h LEU 80 Cb 0.94 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1cnp h LEU 80 CO -0.22 0.01 0.25 0.00 0.09 0.00 0.00 178.44 178.56 1cnp h ALA 81 N 1.59 1.08 0.00 1.53 0.00 -0.85 0.24 119.26 122.84 1cnp h ALA 81 Ca 0.40 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1cnp h ALA 81 Cb 1.56 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1cnp h ALA 81 CO -0.02 -0.31 0.00 0.52 0.00 0.00 0.00 179.25 179.44 1cnp h MET 82 N 0.33 0.00 0.00 0.00 2.86 -0.92 0.21 114.93 117.41 1cnp h MET 82 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1cnp h MET 82 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1cnp h MET 82 CO -0.50 0.00 0.00 -0.89 1.06 0.00 0.00 176.91 176.58 1cnp n ILE 83 N -2.70 0.00 0.07 -1.22 2.08 0.31 -4.62 119.36 113.28 1cnp n ILE 83 Ca -0.02 0.46 -0.21 0.00 0.56 0.00 0.00 62.75 63.54 1cnp n ILE 83 Cb 0.10 -1.44 -0.13 0.00 -0.75 0.00 0.00 39.64 37.43 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1cnp h TYR 84 N 0.00 0.93 -0.39 1.39 -0.00 -0.58 -3.27 116.97 115.05 1cnp h TYR 84 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 58.73 58.13 1cnp h TYR 84 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 36.73 36.63 1cnp h TYR 84 CO 0.00 1.41 0.04 -1.71 -0.00 0.00 0.00 178.16 177.91 1cnp n ASN 85 N -3.89 3.94 -4.63 0.10 2.85 0.65 -5.00 115.26 109.28 1cnp n ASN 85 Ca -0.13 -2.63 -0.49 0.00 -0.11 0.00 0.00 54.58 51.22 1cnp n ASN 85 Cb 0.92 -0.63 -0.05 0.00 1.24 0.00 0.00 39.78 41.26 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1cnp n GLU 86 N 0.29 1.62 0.00 1.20 4.07 -0.75 -4.69 120.64 122.39 1cnp n GLU 86 Ca 0.20 0.58 0.00 0.00 -0.06 0.00 0.00 57.16 57.88 1cnp n GLU 86 Cb 0.89 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cnp n ALA 87 N 2.73 0.00 0.00 4.31 0.00 -1.26 -5.03 120.51 121.25 1cnp n ALA 87 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1cnp n ALA 87 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1cnp n ALA 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1cnp n LEU 88 N 0.00 0.00 -0.00 0.00 -0.00 -1.26 -5.05 117.00 110.68 1cnp n LEU 88 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 1cnp n LEU 88 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 43.42 43.42 1cnp n LEU 88 CO 0.00 -0.02 -0.26 1.17 -0.00 0.00 0.00 177.39 178.28 1cnp n LYS 89 N -1.54 0.19 0.00 1.47 4.81 -1.26 -5.16 118.16 116.67 1cnp n LYS 89 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1cnp n LYS 89 Cb 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98