#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 5.55 -0.95 -5.12 0.00 -1.26 -4.91 120.51 113.82 2cnp n ALA 2 Ca 0.00 -3.74 -0.34 0.00 0.00 0.00 0.00 53.44 49.36 2cnp n ALA 2 Cb 0.00 -3.52 0.11 0.00 0.00 0.00 0.00 19.45 16.04 2cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnp n SER 3 N 5.91 -1.59 -0.37 0.00 7.64 -1.26 -4.23 113.62 119.71 2cnp n SER 3 Ca 0.55 0.42 0.02 0.00 1.01 0.00 0.00 58.87 60.88 2cnp n SER 3 Cb 0.37 -1.23 0.09 0.00 -1.01 0.00 0.00 64.21 62.42 2cnp n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cnp h PRO 4 N -1.18 -0.00 0.40 1.43 0.11 -1.98 0.16 132.00 130.94 2cnp h PRO 4 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2cnp h PRO 4 Cb 1.30 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2cnp h PRO 4 CO 0.37 -0.00 -0.50 -0.07 -0.21 0.00 0.00 178.00 177.60 2cnp h LEU 5 N -0.00 -1.40 -1.00 2.35 3.38 -1.99 0.59 115.31 117.24 2cnp h LEU 5 Ca 0.41 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.60 2cnp h LEU 5 Cb 0.66 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2cnp h LEU 5 CO -1.01 -0.62 0.64 -0.78 0.09 0.00 0.00 178.44 176.75 2cnp h ASP 6 N -0.92 0.97 0.13 -0.43 3.58 -1.23 0.15 116.42 118.67 2cnp h ASP 6 Ca -0.05 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2cnp h ASP 6 Cb 0.82 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2cnp h ASP 6 CO -0.11 0.56 -0.06 -0.61 -2.88 0.00 0.00 179.24 176.14 2cnp h GLN 7 N 1.07 -0.16 -0.36 0.28 4.15 -0.65 0.18 115.11 119.62 2cnp h GLN 7 Ca 0.47 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.91 2cnp h GLN 7 Cb 0.35 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2cnp h GLN 7 CO -0.23 0.10 0.21 0.00 -1.93 0.00 0.00 178.83 176.98 2cnp h ALA 8 N 0.42 0.45 -0.09 3.38 0.00 -0.30 0.16 119.26 123.27 2cnp h ALA 8 Ca -0.02 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2cnp h ALA 8 Cb 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2cnp h ALA 8 CO 0.03 -0.14 -0.32 0.82 0.00 0.00 0.00 179.25 179.64 2cnp h ILE 9 N 0.42 0.29 -0.72 0.00 2.04 -0.70 -1.37 117.51 117.48 2cnp h ILE 9 Ca 0.14 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.16 2cnp h ILE 9 Cb 0.01 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 36.26 2cnp h ILE 9 CO -0.07 0.00 -0.00 1.23 0.00 0.00 0.00 178.15 179.31 2cnp h GLY 10 N -0.41 0.78 0.51 5.37 0.00 0.29 0.11 103.07 109.71 2cnp h GLY 10 Ca 0.09 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.55 2cnp h GLY 10 CO -0.33 -0.26 -0.22 1.41 0.00 0.00 0.00 176.54 177.14 2cnp h LEU 11 N 0.10 -0.64 -0.52 3.11 3.38 -0.14 0.17 115.31 120.78 2cnp h LEU 11 Ca 0.38 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.46 2cnp h LEU 11 Cb 0.66 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2cnp h LEU 11 CO -0.63 -0.29 0.33 -0.07 0.09 0.00 0.00 178.44 177.87 2cnp h LEU 12 N -0.35 0.55 0.24 1.67 4.07 -0.02 -0.28 115.31 121.18 2cnp h LEU 12 Ca 0.06 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.02 2cnp h LEU 12 Cb 0.43 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 2cnp h LEU 12 CO -0.19 0.39 -0.31 0.40 -1.08 0.00 0.00 178.44 177.65 2cnp h ILE 13 N 0.66 0.35 -0.23 1.22 2.04 -0.66 -0.63 117.51 120.25 2cnp h ILE 13 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.12 2cnp h ILE 13 Cb -0.03 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 2cnp h ILE 13 CO -0.07 0.00 -0.18 1.23 0.00 0.00 0.00 178.15 179.13 2cnp h GLY 14 N -0.60 -0.03 0.67 5.37 0.00 -0.31 0.78 103.07 108.95 2cnp h GLY 14 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.60 2cnp h GLY 14 CO -0.11 -0.17 0.14 -2.22 0.00 0.00 0.00 176.54 174.18 2cnp h ILE 15 N -0.17 0.89 0.30 2.60 1.08 -0.95 0.13 117.51 121.40 2cnp h ILE 15 Ca 0.13 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2cnp h ILE 15 Cb 0.37 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2cnp h ILE 15 CO -0.34 0.06 -0.50 0.15 -0.69 0.00 0.00 178.15 176.83 2cnp h PHE 16 N 0.31 -1.42 -0.46 1.37 3.57 -0.25 -2.98 116.94 117.07 2cnp h PHE 16 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2cnp h PHE 16 Cb 0.15 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2cnp h PHE 16 CO -0.14 -0.62 0.27 1.25 -2.23 0.00 0.00 178.31 176.84 2cnp h HIS 17 N -0.85 0.59 -0.95 0.41 2.76 -0.41 0.28 115.15 116.98 2cnp h HIS 17 Ca -0.03 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.31 2cnp h HIS 17 Cb 0.79 -0.20 -0.08 0.00 1.55 0.00 0.00 27.41 29.47 2cnp h HIS 17 CO -0.35 0.40 0.60 -0.22 -1.30 0.00 0.00 177.93 177.06 2cnp h LYS 18 N 0.63 0.67 0.00 5.26 3.64 -0.58 0.14 116.57 126.32 2cnp h LYS 18 Ca 0.17 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2cnp h LYS 18 Cb -0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2cnp h LYS 18 CO -0.03 0.44 -1.07 0.66 -2.27 0.00 0.00 179.45 177.18 2cnp n TYR 19 N -4.62 0.26 -0.30 1.91 4.02 -0.84 -4.60 117.16 113.00 2cnp n TYR 19 Ca 0.20 0.11 0.22 0.00 -0.01 0.00 0.00 57.90 58.42 2cnp n TYR 19 Cb 0.54 -0.64 0.51 0.00 -0.02 0.00 0.00 39.34 39.73 2cnp n TYR 19 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2cnp h SER 20 N -1.00 0.42 -1.09 7.72 0.87 -0.44 -0.34 113.55 119.70 2cnp h SER 20 Ca -0.09 0.07 0.43 0.00 -1.23 0.00 0.00 61.79 60.96 2cnp h SER 20 Cb 0.97 -0.01 -0.17 0.00 -0.44 0.00 0.00 62.40 62.75 2cnp h SER 20 CO -0.06 0.12 0.62 0.61 -0.53 0.00 0.00 176.83 177.59 2cnp n GLY 21 N -1.50 -0.77 0.21 5.77 0.00 0.49 -0.80 105.19 108.60 2cnp n GLY 21 Ca 0.23 0.79 0.14 0.00 0.00 0.00 0.00 46.02 47.18 2cnp n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2cnp h LYS 22 N 0.00 0.00 -7.03 1.61 2.10 -1.29 -3.45 116.57 108.51 2cnp h LYS 22 Ca 0.85 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 59.03 2cnp h LYS 22 Cb 2.38 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.72 2cnp h LYS 22 CO -0.69 0.00 0.38 -1.21 -2.00 0.00 0.00 179.45 175.93 2cnp s GLU 23 N -3.32 4.02 0.05 0.07 0.41 0.02 -4.99 118.70 114.96 2cnp s GLU 23 Ca 0.06 1.36 -0.21 0.00 -0.41 0.00 0.00 54.97 55.76 2cnp s GLU 23 Cb 0.07 -2.27 -0.10 0.00 -1.78 0.00 0.00 34.13 30.05 2cnp s GLU 23 CO 0.60 -0.24 1.33 0.78 -0.49 0.00 0.00 175.26 177.25 2cnp h GLY 24 N 1.97 -1.03 -7.02 -1.39 0.00 -1.87 -2.42 103.07 91.31 2cnp h GLY 24 Ca -0.49 0.47 -0.68 0.00 0.00 0.00 0.00 47.33 46.63 2cnp h GLY 24 CO 0.61 -0.33 2.56 1.34 0.00 0.00 0.00 176.54 180.72 2cnp n ASP 25 N -4.21 4.35 0.13 0.19 2.03 -1.26 -4.81 116.55 112.97 2cnp n ASP 25 Ca -0.07 -2.87 0.06 0.00 0.52 0.00 0.00 54.79 52.43 2cnp n ASP 25 Cb 0.28 -1.69 0.33 0.00 -0.72 0.00 0.00 41.12 39.32 2cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2cnp n LYS 26 N 7.38 0.08 0.00 -0.67 2.85 -0.91 -0.28 118.16 126.61 2cnp n LYS 26 Ca 0.50 0.54 0.13 0.00 -1.05 0.00 0.00 58.31 58.43 2cnp n LYS 26 Cb 0.43 -1.96 0.67 0.00 -0.65 0.00 0.00 35.03 33.52 2cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2cnp n HIS 27 N -1.94 0.00 -4.22 5.58 -0.00 -1.26 -4.16 115.22 109.22 2cnp n HIS 27 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2cnp n HIS 27 Cb 0.21 -0.30 -0.10 0.00 -0.00 0.00 0.00 29.99 29.80 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2cnp s THR 28 N -2.60 0.79 0.37 1.59 -4.23 0.62 -2.38 115.64 109.79 2cnp s THR 28 Ca 0.24 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 2cnp s THR 28 Cb 0.18 -1.90 0.04 0.00 1.34 0.00 0.00 72.50 72.17 2cnp s THR 28 CO 0.42 -0.68 0.74 -1.48 -0.54 0.00 0.00 174.62 173.07 2cnp s LEU 29 N -3.12 0.10 0.00 4.79 0.05 -0.08 -4.78 118.68 115.64 2cnp s LEU 29 Ca 0.18 -1.12 0.00 0.00 0.05 0.00 0.00 54.13 53.24 2cnp s LEU 29 Cb 0.05 2.65 0.00 0.00 -2.05 0.00 0.00 46.19 46.84 2cnp s LEU 29 CO -0.00 -1.60 0.00 -0.24 -0.55 0.00 0.00 176.35 173.96 2cnp n SER 30 N -1.28 0.09 -0.34 1.48 2.88 -1.26 0.21 113.62 115.39 2cnp n SER 30 Ca -0.07 -0.95 -0.02 0.00 -1.33 0.00 0.00 58.87 56.51 2cnp n SER 30 Cb 0.60 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2cnp n SER 30 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2cnp h LYS 31 N 0.00 -0.04 -0.18 -1.46 2.10 -1.89 0.89 116.57 115.99 2cnp h LYS 31 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 2cnp h LYS 31 Cb 0.00 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 2cnp h LYS 31 CO 0.00 -0.03 -0.17 -0.22 -2.00 0.00 0.00 179.45 177.04 2cnp h LYS 32 N -0.04 -0.17 -0.57 0.07 3.64 -1.97 0.75 116.57 118.27 2cnp h LYS 32 Ca 0.32 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2cnp h LYS 32 Cb 0.59 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2cnp h LYS 32 CO -0.92 -0.12 0.11 0.93 -2.27 0.00 0.00 179.45 177.19 2cnp h GLU 33 N -0.18 0.93 -0.23 1.90 3.07 -1.32 0.00 114.58 118.75 2cnp h GLU 33 Ca 0.11 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2cnp h GLU 33 Cb 0.35 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2cnp h GLU 33 CO -0.29 0.88 0.12 -0.07 -1.40 0.00 0.00 179.01 178.24 2cnp h LEU 34 N 0.82 0.30 -0.01 1.33 3.38 -0.48 0.25 115.31 120.90 2cnp h LEU 34 Ca 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2cnp h LEU 34 Cb 0.38 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2cnp h LEU 34 CO 0.01 0.32 0.00 0.11 0.09 0.00 0.00 178.44 178.97 2cnp h LYS 35 N 0.25 0.01 -0.34 1.13 1.57 -0.77 -0.32 116.57 118.09 2cnp h LYS 35 Ca 0.08 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2cnp h LYS 35 Cb 0.10 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 2cnp h LYS 35 CO -0.01 0.08 -0.34 1.49 -0.57 0.00 0.00 179.45 180.10 2cnp h GLU 36 N -0.07 -0.28 0.00 3.15 4.81 -0.81 0.55 114.58 121.93 2cnp h GLU 36 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2cnp h GLU 36 Cb 0.08 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2cnp h GLU 36 CO -0.00 -0.19 0.00 1.28 -0.73 0.00 0.00 179.01 179.37 2cnp n LEU 37 N -5.42 0.00 -0.15 1.64 4.77 0.85 -2.18 117.00 116.51 2cnp n LEU 37 Ca -0.00 0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 56.68 2cnp n LEU 37 Cb 0.34 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2cnp n LEU 37 CO 0.08 -0.24 0.94 -0.29 -1.33 0.00 0.00 177.39 176.56 2cnp h ILE 38 N 0.00 0.82 -0.53 -0.08 2.10 -0.87 0.22 117.51 119.17 2cnp h ILE 38 Ca 0.00 -0.11 0.10 0.00 1.08 0.00 0.00 64.86 65.93 2cnp h ILE 38 Cb 0.00 0.49 -0.08 0.00 -1.09 0.00 0.00 36.82 36.14 2cnp h ILE 38 CO 0.00 0.06 0.06 -0.61 -1.08 0.00 0.00 178.15 176.58 2cnp h GLN 39 N 0.31 0.18 0.00 2.19 4.15 -0.92 0.65 115.11 121.68 2cnp h GLN 39 Ca 0.22 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2cnp h GLN 39 Cb 0.24 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2cnp h GLN 39 CO -0.24 0.12 -0.04 0.87 -1.93 0.00 0.00 178.83 177.61 2cnp h LYS 40 N 0.19 0.00 -0.79 1.69 1.57 -0.91 -2.89 116.57 115.43 2cnp h LYS 40 Ca 0.27 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.15 2cnp h LYS 40 Cb 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 2cnp h LYS 40 CO -0.39 0.00 0.52 1.05 -0.57 0.00 0.00 179.45 180.06 2cnp h GLU 41 N -0.74 0.67 -2.27 3.15 4.11 -0.57 -0.35 114.58 118.57 2cnp h GLU 41 Ca 0.00 -0.04 -0.60 0.00 0.07 0.00 0.00 59.36 58.79 2cnp h GLU 41 Cb 0.04 -0.15 -0.41 0.00 0.50 0.00 0.00 28.75 28.72 2cnp h GLU 41 CO 0.00 0.44 -0.57 1.28 0.07 0.00 0.00 179.01 180.23 2cnp n LEU 42 N -4.51 4.44 -2.57 3.06 4.77 0.22 -4.94 117.00 117.47 2cnp n LEU 42 Ca 0.14 -5.63 -0.10 0.00 -0.03 0.00 0.00 56.01 50.39 2cnp n LEU 42 Cb 0.35 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2cnp n LEU 42 CO 0.32 2.28 1.40 1.07 -1.33 0.00 0.00 177.39 181.13 2cnp n THR 43 N 0.00 1.60 -2.30 -5.08 5.66 -0.14 -4.62 114.28 109.40 2cnp n THR 43 Ca 0.31 -0.86 -0.35 0.00 -3.05 0.00 0.00 64.05 60.10 2cnp n THR 43 Cb 0.39 -1.83 -0.03 0.00 -1.55 0.00 0.00 70.33 67.31 2cnp n THR 43 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2cnp s ILE 44 N 2.64 3.80 0.40 1.09 1.01 -1.26 -4.76 121.20 124.11 2cnp s ILE 44 Ca 0.31 -1.32 0.18 0.00 0.00 0.00 0.00 60.65 59.82 2cnp s ILE 44 Cb 0.13 -4.84 0.39 0.00 0.01 0.00 0.00 42.46 38.14 2cnp s ILE 44 CO -0.01 -1.46 1.79 1.23 0.00 0.00 0.00 174.94 176.49 2cnp h GLY 45 N 15.42 1.15 2.00 6.18 0.00 -1.97 0.16 103.07 126.01 2cnp h GLY 45 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2cnp h GLY 45 CO 1.33 -0.10 0.00 1.76 0.00 0.00 0.00 176.54 179.53 2cnp h SER 46 N 0.42 0.00 -6.26 0.19 0.02 -2.00 -3.47 113.55 102.45 2cnp h SER 46 Ca 0.56 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 61.08 2cnp h SER 46 Cb 1.40 0.00 0.08 0.00 0.14 0.00 0.00 62.40 64.02 2cnp h SER 46 CO -0.27 0.00 -0.92 0.29 -1.14 0.00 0.00 176.83 174.79 2cnp n LYS 47 N -2.69 -1.16 -1.67 3.45 4.76 0.56 -4.79 118.16 116.63 2cnp n LYS 47 Ca -0.02 0.47 -0.29 0.00 -2.87 0.00 0.00 58.31 55.61 2cnp n LYS 47 Cb 0.08 -4.01 -0.08 0.00 -1.84 0.00 0.00 35.03 29.19 2cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2cnp n LEU 48 N -4.11 2.66 0.00 -0.35 4.77 -1.26 -4.70 117.00 114.01 2cnp n LEU 48 Ca -0.10 -2.83 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 2cnp n LEU 48 Cb 0.59 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2cnp n LEU 48 CO 0.67 -2.03 0.00 1.67 -1.33 0.00 0.00 177.39 176.37 2cnp n GLN 49 N 8.01 0.00 -0.34 3.23 0.00 -1.26 -4.77 117.38 122.25 2cnp n GLN 49 Ca 0.45 0.00 0.29 0.00 -0.00 0.00 0.00 57.00 57.74 2cnp n GLN 49 Cb 0.45 0.00 0.55 0.00 0.00 0.00 0.00 30.24 31.24 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2cnp h ASP 50 N 0.00 0.39 -0.47 1.69 5.19 -1.95 -3.27 116.42 118.00 2cnp h ASP 50 Ca 0.00 0.22 0.04 0.00 -0.62 0.00 0.00 57.03 56.67 2cnp h ASP 50 Cb 0.00 0.20 -0.06 0.00 0.18 0.00 0.00 39.33 39.66 2cnp h ASP 50 CO 0.00 -0.29 -0.28 0.00 -3.12 0.00 0.00 179.24 175.55 2cnp n ALA 51 N -2.30 -0.30 -0.17 3.45 0.00 -1.26 -0.37 120.51 119.55 2cnp n ALA 51 Ca 0.36 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 54.10 2cnp n ALA 51 Cb 1.19 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.59 2cnp n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cnp h GLU 52 N 0.00 0.82 0.31 0.00 4.81 -1.89 0.37 114.58 119.01 2cnp h GLU 52 Ca 0.08 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2cnp h GLU 52 Cb 0.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2cnp h GLU 52 CO -0.44 0.82 -0.15 0.82 -0.73 0.00 0.00 179.01 179.33 2cnp h ILE 53 N 0.70 0.70 0.09 2.32 5.03 -0.93 -0.78 117.51 124.64 2cnp h ILE 53 Ca 0.15 -0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.91 2cnp h ILE 53 Cb 0.41 0.70 -0.04 0.00 -3.03 0.00 0.00 36.82 34.86 2cnp h ILE 53 CO 0.01 0.00 -0.31 0.58 -0.68 0.00 0.00 178.15 177.75 2cnp h VAL 54 N -0.41 0.33 -0.47 1.67 2.07 -0.70 -2.62 116.25 116.11 2cnp h VAL 54 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 2cnp h VAL 54 Cb 0.32 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 2cnp h VAL 54 CO 0.07 0.00 -0.34 0.11 0.02 0.00 0.00 177.57 177.43 2cnp h LYS 55 N -0.52 -0.21 -0.94 1.57 6.56 -0.66 0.41 116.57 122.77 2cnp h LYS 55 Ca 0.04 0.01 0.17 0.00 -1.06 0.00 0.00 60.65 59.81 2cnp h LYS 55 Cb 0.56 0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 32.17 2cnp h LYS 55 CO -0.20 -0.14 0.54 -0.07 -2.06 0.00 0.00 179.45 177.51 2cnp h LEU 56 N -0.22 0.67 0.00 2.94 3.38 -0.79 0.17 115.31 121.46 2cnp h LEU 56 Ca 0.19 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2cnp h LEU 56 Cb 0.54 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2cnp h LEU 56 CO -0.59 0.25 -0.02 0.24 0.09 0.00 0.00 178.44 178.41 2cnp h MET 57 N 0.70 0.00 -0.90 1.13 2.86 -1.00 -3.38 114.93 114.34 2cnp h MET 57 Ca 0.53 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 58.50 2cnp h MET 57 Cb 0.80 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.29 2cnp h MET 57 CO -0.38 0.00 0.31 -3.47 1.06 0.00 0.00 176.91 174.43 2cnp n ASP 58 N -3.32 0.16 -0.33 1.22 2.03 0.13 -0.81 116.55 115.64 2cnp n ASP 58 Ca -0.00 1.50 0.07 0.00 0.52 0.00 0.00 54.79 56.88 2cnp n ASP 58 Cb 0.01 -0.66 0.16 0.00 -0.72 0.00 0.00 41.12 39.91 2cnp n ASP 58 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2cnp n ASP 59 N -5.13 -0.28 -0.31 1.67 2.03 0.04 -0.73 116.55 113.84 2cnp n ASP 59 Ca 0.29 1.56 -0.02 0.00 0.52 0.00 0.00 54.79 57.15 2cnp n ASP 59 Cb 0.98 -0.49 0.11 0.00 -0.72 0.00 0.00 41.12 41.00 2cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2cnp h LEU 60 N 0.00 0.91 -0.01 -2.67 8.10 -1.20 0.52 115.31 120.96 2cnp h LEU 60 Ca 0.46 -0.01 -0.10 0.00 0.11 0.00 0.00 57.88 58.35 2cnp h LEU 60 Cb 0.77 -0.21 0.01 0.00 -0.44 0.00 0.00 40.66 40.79 2cnp h LEU 60 CO -0.92 0.63 -0.38 -0.78 -4.11 0.00 0.00 178.44 172.88 2cnp h ASP 61 N 1.07 0.34 -0.60 0.17 3.58 -1.16 0.77 116.42 120.59 2cnp h ASP 61 Ca 0.34 -0.76 0.12 0.00 0.42 0.00 0.00 57.03 57.15 2cnp h ASP 61 Cb 0.00 -0.10 -0.10 0.00 1.72 0.00 0.00 39.33 40.85 2cnp h ASP 61 CO -0.11 1.06 0.04 -0.09 -2.88 0.00 0.00 179.24 177.26 2cnp h ARG 62 N -0.34 0.15 0.21 0.28 2.43 -0.66 -3.09 114.38 113.36 2cnp h ARG 62 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2cnp h ARG 62 Cb 1.11 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2cnp h ARG 62 CO 0.08 0.10 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.63 2cnp h ASN 63 N 0.16 -0.24 -6.53 -3.80 2.35 -0.93 -3.47 115.58 103.12 2cnp h ASN 63 Ca 0.32 0.01 -0.51 0.00 -0.55 0.00 0.00 56.30 55.57 2cnp h ASN 63 Cb 0.50 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 2cnp h ASN 63 CO -0.48 0.23 -0.88 1.17 -1.65 0.00 0.00 177.43 175.82 2cnp n LYS 64 N -4.95 -3.32 -0.54 0.81 4.81 0.26 -0.74 118.16 114.49 2cnp n LYS 64 Ca -0.03 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 2cnp n LYS 64 Cb 0.11 -4.62 0.00 0.00 0.02 0.00 0.00 35.03 30.54 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cnp n ASP 65 N -2.94 0.00 -4.77 3.14 9.92 -1.26 -5.00 116.55 115.64 2cnp n ASP 65 Ca -0.25 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.63 2cnp n ASP 65 Cb 0.66 -1.19 -0.02 0.00 -0.64 0.00 0.00 41.12 39.93 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cnp s GLN 66 N -0.39 3.90 -0.25 -1.24 -0.21 0.08 -5.00 119.66 116.55 2cnp s GLN 66 Ca 0.00 1.79 -0.24 0.00 0.02 0.00 0.00 55.36 56.94 2cnp s GLN 66 Cb 0.00 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 2cnp s GLN 66 CO 0.00 -0.44 0.79 -1.21 -2.12 0.00 0.00 175.29 172.31 2cnp s GLU 67 N -2.52 4.15 0.35 2.91 2.02 -1.26 -4.61 118.70 119.74 2cnp s GLU 67 Ca 0.60 0.85 -0.25 0.00 0.02 0.00 0.00 54.97 56.19 2cnp s GLU 67 Cb -0.29 -3.65 -0.10 0.00 0.10 0.00 0.00 34.13 30.19 2cnp s GLU 67 CO 0.36 -0.51 0.95 0.14 0.02 0.00 0.00 175.26 176.22 2cnp s VAL 68 N 2.79 4.21 0.79 2.63 -7.23 0.13 -4.78 120.40 118.94 2cnp s VAL 68 Ca 0.33 1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 62.17 2cnp s VAL 68 Cb -0.15 -3.90 0.15 0.00 0.56 0.00 0.00 36.38 33.03 2cnp s VAL 68 CO 0.08 0.04 1.09 0.54 -0.31 0.00 0.00 175.10 176.53 2cnp s ASN 69 N -1.73 4.00 0.15 4.85 4.22 -1.26 -0.90 114.94 124.27 2cnp s ASN 69 Ca 0.53 -0.19 -0.31 0.00 -2.14 0.00 0.00 52.86 50.75 2cnp s ASN 69 Cb -0.17 -0.09 -0.08 0.00 1.28 0.00 0.00 41.25 42.19 2cnp s ASN 69 CO 0.22 -2.11 1.54 0.15 -2.04 0.00 0.00 177.10 174.86 2cnp h PHE 70 N -0.85 -1.78 -0.67 1.54 3.57 -1.87 0.99 116.94 117.87 2cnp h PHE 70 Ca -0.38 0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 2cnp h PHE 70 Cb 1.26 0.87 -0.03 0.00 2.79 0.00 0.00 35.95 40.84 2cnp h PHE 70 CO -0.46 -0.42 0.40 0.37 -2.23 0.00 0.00 178.31 175.96 2cnp h GLN 71 N -0.17 0.91 -0.37 1.11 5.75 -1.95 0.14 115.11 120.52 2cnp h GLN 71 Ca 0.13 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 2cnp h GLN 71 Cb 0.50 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2cnp h GLN 71 CO -0.79 0.64 -0.24 0.93 -2.65 0.00 0.00 178.83 176.72 2cnp h GLU 72 N 0.93 0.76 -0.24 1.69 4.39 -1.71 0.44 114.58 120.83 2cnp h GLU 72 Ca 0.24 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2cnp h GLU 72 Cb -0.03 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2cnp h GLU 72 CO -0.05 0.93 0.08 -0.92 -1.16 0.00 0.00 179.01 177.89 2cnp h TYR 73 N 0.66 0.15 -0.37 4.33 3.20 0.35 0.21 116.97 125.49 2cnp h TYR 73 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 2cnp h TYR 73 Cb 0.76 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2cnp h TYR 73 CO 0.04 0.07 0.25 0.82 -1.64 0.00 0.00 178.16 177.70 2cnp h ILE 74 N 0.19 1.01 -0.34 1.81 1.08 -0.33 0.01 117.51 120.93 2cnp h ILE 74 Ca 0.11 -0.12 -0.16 0.00 -0.39 0.00 0.00 64.86 64.30 2cnp h ILE 74 Cb 0.07 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2cnp h ILE 74 CO -0.11 0.07 -0.41 0.74 -0.69 0.00 0.00 178.15 177.75 2cnp h THR 75 N 0.36 1.28 0.52 -0.27 2.02 0.83 0.33 112.91 117.97 2cnp h THR 75 Ca 0.15 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.73 2cnp h THR 75 Cb 0.17 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2cnp h THR 75 CO -0.03 0.52 -0.29 0.15 0.37 0.00 0.00 175.52 176.24 2cnp h PHE 76 N 0.69 -0.75 -0.45 3.16 3.57 0.82 0.28 116.94 124.26 2cnp h PHE 76 Ca 0.05 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2cnp h PHE 76 Cb 0.98 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2cnp h PHE 76 CO 0.06 -0.45 0.19 -0.07 -2.23 0.00 0.00 178.31 175.81 2cnp h LEU 77 N -0.75 0.25 -0.61 0.59 3.38 -1.07 -0.91 115.31 116.18 2cnp h LEU 77 Ca -0.06 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2cnp h LEU 77 Cb 0.60 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2cnp h LEU 77 CO 0.09 0.18 0.37 1.23 0.09 0.00 0.00 178.44 180.39 2cnp h GLY 78 N 0.39 0.88 0.74 0.83 0.00 -0.09 0.13 103.07 105.96 2cnp h GLY 78 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2cnp h GLY 78 CO -0.17 0.21 -0.04 0.00 0.00 0.00 0.00 176.54 176.54 2cnp h ALA 79 N 1.28 0.19 -0.28 3.60 0.00 -0.18 0.15 119.26 124.02 2cnp h ALA 79 Ca 0.25 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2cnp h ALA 79 Cb 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 2cnp h ALA 79 CO -0.12 -0.06 -0.30 1.25 0.00 0.00 0.00 179.25 180.02 2cnp h LEU 80 N -0.05 -0.98 0.03 0.00 7.12 -0.84 0.14 115.31 120.73 2cnp h LEU 80 Ca 0.03 0.17 0.03 0.00 0.13 0.00 0.00 57.88 58.24 2cnp h LEU 80 Cb 0.47 0.45 -0.05 0.00 -0.53 0.00 0.00 40.66 41.00 2cnp h LEU 80 CO 0.01 -0.32 -0.33 0.00 -0.13 0.00 0.00 178.44 177.67 2cnp h ALA 81 N 0.67 -0.51 -0.25 1.25 0.00 -0.64 -1.69 119.26 118.09 2cnp h ALA 81 Ca 0.14 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2cnp h ALA 81 Cb 0.52 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2cnp h ALA 81 CO -0.45 -0.85 -0.19 1.98 0.00 0.00 0.00 179.25 179.74 2cnp h MET 82 N -0.50 -0.17 0.15 0.00 1.85 -0.22 0.13 114.93 116.16 2cnp h MET 82 Ca 0.05 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 2cnp h MET 82 Cb 0.57 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.64 2cnp h MET 82 CO -0.25 -0.11 -0.07 0.82 -0.40 0.00 0.00 176.91 176.89 2cnp h ILE 83 N -0.18 0.93 0.06 1.77 2.04 -0.40 -3.27 117.51 118.45 2cnp h ILE 83 Ca 0.14 -0.30 -0.25 0.00 1.00 0.00 0.00 64.86 65.45 2cnp h ILE 83 Cb 0.39 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2cnp h ILE 83 CO -0.36 0.07 -1.21 0.10 0.00 0.00 0.00 178.15 176.75 2cnp h TYR 84 N -0.34 0.21 -0.61 1.37 -0.00 -1.23 -3.38 116.97 113.00 2cnp h TYR 84 Ca -0.02 -0.16 -0.69 0.00 0.00 0.00 0.00 58.73 57.86 2cnp h TYR 84 Cb 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 36.73 36.92 2cnp h TYR 84 CO -0.02 1.14 2.50 0.09 -0.00 0.00 0.00 178.16 181.87 2cnp n ASN 85 N -3.39 4.59 -0.27 0.10 3.02 0.43 -4.80 115.26 114.93 2cnp n ASN 85 Ca -0.06 -2.90 0.05 0.00 -0.03 0.00 0.00 54.58 51.64 2cnp n ASN 85 Cb 0.99 -1.71 0.11 0.00 -0.61 0.00 0.00 39.78 38.56 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2cnp n GLU 86 N 7.49 -0.07 -0.31 3.52 -0.58 -1.26 -0.52 120.64 128.91 2cnp n GLU 86 Ca 0.50 1.17 0.20 0.00 -0.42 0.00 0.00 57.16 58.61 2cnp n GLU 86 Cb 0.43 -1.76 0.38 0.00 -0.57 0.00 0.00 31.44 29.93 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cnp n ALA 87 N -3.70 0.67 -0.22 0.62 0.00 -1.26 -0.53 120.51 116.09 2cnp n ALA 87 Ca 0.12 0.96 -0.02 0.00 0.00 0.00 0.00 53.44 54.50 2cnp n ALA 87 Cb 0.39 -0.81 0.17 0.00 0.00 0.00 0.00 19.45 19.20 2cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cnp h LEU 88 N 0.00 0.92 -4.51 0.00 3.38 -1.11 -3.32 115.31 110.67 2cnp h LEU 88 Ca 0.65 -0.10 -0.43 0.00 0.09 0.00 0.00 57.88 58.09 2cnp h LEU 88 Cb 1.53 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2cnp h LEU 88 CO -0.80 0.77 1.76 0.29 0.09 0.00 0.00 178.44 180.56 2cnp n LYS 89 N -4.34 2.85 0.00 1.13 5.02 0.31 -5.14 118.16 117.99 2cnp n LYS 89 Ca 0.07 -1.60 0.12 0.00 -2.02 0.00 0.00 58.31 54.88 2cnp n LYS 89 Cb 0.13 -2.40 0.10 0.00 -0.02 0.00 0.00 35.03 32.84 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29