#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp s ALA 2 N 0.00 2.04 1.00 3.17 0.00 -1.26 -4.92 121.76 121.80 2cnp s ALA 2 Ca 0.00 -2.19 -0.13 0.00 0.00 0.00 0.00 51.96 49.64 2cnp s ALA 2 Cb 0.00 -4.65 0.10 0.00 0.00 0.00 0.00 23.12 18.56 2cnp s ALA 2 CO 0.00 -4.83 0.51 -1.13 0.00 0.00 0.00 175.76 170.31 2cnp n SER 3 N 13.25 -1.69 -0.25 0.00 3.41 -1.26 -4.55 113.62 122.53 2cnp n SER 3 Ca 0.44 0.20 0.06 0.00 -0.26 0.00 0.00 58.87 59.31 2cnp n SER 3 Cb 0.47 -1.21 0.17 0.00 -0.26 0.00 0.00 64.21 63.38 2cnp n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2cnp h PRO 4 N -1.84 0.18 0.47 4.33 0.13 -1.99 0.92 132.00 134.20 2cnp h PRO 4 Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2cnp h PRO 4 Cb 1.30 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2cnp h PRO 4 CO 0.38 0.12 -0.48 -0.07 -0.23 0.00 0.00 178.00 177.71 2cnp h LEU 5 N 0.19 -1.32 -0.49 1.56 3.38 -1.98 0.59 115.31 117.23 2cnp h LEU 5 Ca 0.41 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.58 2cnp h LEU 5 Cb 0.73 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2cnp h LEU 5 CO -0.58 -0.64 0.04 -0.78 0.09 0.00 0.00 178.44 176.57 2cnp h ASP 6 N -0.96 -0.12 -0.00 -0.43 3.58 -1.61 0.17 116.42 117.04 2cnp h ASP 6 Ca -0.05 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2cnp h ASP 6 Cb 0.84 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2cnp h ASP 6 CO -0.07 -0.03 0.00 -0.61 -2.88 0.00 0.00 179.24 175.65 2cnp h GLN 7 N 0.16 0.00 -0.37 0.28 -0.00 -0.78 0.95 115.11 115.36 2cnp h GLN 7 Ca 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 2cnp h GLN 7 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 2cnp h GLN 7 CO -0.38 0.04 0.17 0.00 0.00 0.00 0.00 178.83 178.67 2cnp h ALA 8 N 0.96 0.47 -0.17 3.38 0.00 -0.17 0.20 119.26 123.93 2cnp h ALA 8 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2cnp h ALA 8 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2cnp h ALA 8 CO -0.00 0.04 -0.10 0.82 0.00 0.00 0.00 179.25 180.01 2cnp h ILE 9 N 0.45 0.69 -0.75 0.00 2.04 -0.64 -0.88 117.51 118.42 2cnp h ILE 9 Ca 0.13 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.14 2cnp h ILE 9 Cb 0.13 0.69 -0.14 0.00 -0.74 0.00 0.00 36.82 36.76 2cnp h ILE 9 CO -0.02 0.00 -0.12 1.23 0.00 0.00 0.00 178.15 179.25 2cnp h GLY 10 N -0.10 0.65 0.70 5.37 0.00 -0.06 0.70 103.07 110.33 2cnp h GLY 10 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2cnp h GLY 10 CO -0.23 -0.29 -0.28 1.41 0.00 0.00 0.00 176.54 177.15 2cnp h LEU 11 N 0.03 -0.75 -0.57 3.11 3.38 0.30 0.21 115.31 121.02 2cnp h LEU 11 Ca 0.38 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.42 2cnp h LEU 11 Cb 0.62 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2cnp h LEU 11 CO -0.73 -0.40 0.37 -0.07 0.09 0.00 0.00 178.44 177.70 2cnp h LEU 12 N -0.60 0.64 0.13 1.67 4.07 -0.15 0.14 115.31 121.21 2cnp h LEU 12 Ca -0.01 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.95 2cnp h LEU 12 Cb 0.54 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 2cnp h LEU 12 CO -0.05 0.46 -0.22 0.40 -1.08 0.00 0.00 178.44 177.95 2cnp h ILE 13 N 0.76 0.52 -0.36 1.22 2.04 -0.84 -0.86 117.51 119.98 2cnp h ILE 13 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 2cnp h ILE 13 Cb -0.08 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2cnp h ILE 13 CO -0.05 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.30 2cnp h GLY 14 N -0.42 0.33 0.78 5.37 0.00 -0.02 0.46 103.07 109.57 2cnp h GLY 14 Ca 0.02 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2cnp h GLY 14 CO -0.11 -0.10 0.35 -2.22 0.00 0.00 0.00 176.54 174.46 2cnp h ILE 15 N 0.07 1.01 0.18 2.60 1.08 -0.63 0.30 117.51 122.13 2cnp h ILE 15 Ca 0.17 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2cnp h ILE 15 Cb 0.25 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 2cnp h ILE 15 CO -0.32 0.12 -0.28 0.15 -0.69 0.00 0.00 178.15 177.14 2cnp h PHE 16 N 0.67 -0.74 0.00 1.37 3.57 0.14 -2.79 116.94 119.15 2cnp h PHE 16 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2cnp h PHE 16 Cb 0.10 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2cnp h PHE 16 CO -0.07 -0.39 -0.17 0.45 -2.23 0.00 0.00 178.31 175.90 2cnp h HIS 17 N -0.53 0.00 -0.44 0.41 3.86 -0.40 0.27 115.15 118.33 2cnp h HIS 17 Ca 0.01 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.35 2cnp h HIS 17 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2cnp h HIS 17 CO -0.22 0.17 0.46 -0.22 0.86 0.00 0.00 177.93 178.97 2cnp h LYS 18 N 0.00 0.00 -0.75 2.45 3.64 -0.13 0.52 116.57 122.30 2cnp h LYS 18 Ca -0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.93 2cnp h LYS 18 Cb 0.37 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.78 2cnp h LYS 18 CO 0.02 0.00 -0.93 0.66 -2.27 0.00 0.00 179.45 176.93 2cnp n TYR 19 N -3.76 2.25 -1.30 1.91 4.02 0.03 -5.08 117.16 115.24 2cnp n TYR 19 Ca 0.08 -2.33 -0.43 0.00 -0.01 0.00 0.00 57.90 55.21 2cnp n TYR 19 Cb 0.64 -0.28 -0.13 0.00 -0.02 0.00 0.00 39.34 39.55 2cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2cnp n SER 20 N -0.61 0.40 0.00 7.72 7.64 0.17 -4.19 113.62 124.75 2cnp n SER 20 Ca 0.30 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2cnp n SER 20 Cb 0.87 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2cnp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cnp n GLY 21 N 6.23 0.00 0.00 0.23 0.00 -0.92 -4.75 105.19 105.98 2cnp n GLY 21 Ca 0.57 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.69 2cnp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cnp n LYS 22 N 0.00 0.27 -0.93 1.61 5.02 -1.25 -3.01 118.16 119.86 2cnp n LYS 22 Ca 0.00 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 2cnp n LYS 22 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 2cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cnp n GLU 23 N -1.30 2.08 0.00 1.97 -0.58 -1.25 -4.78 120.64 116.77 2cnp n GLU 23 Ca 0.09 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.71 2cnp n GLU 23 Cb 0.17 -2.11 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cnp n GLY 24 N 2.81 0.89 3.62 0.62 0.00 -1.25 -4.82 105.19 107.06 2cnp n GLY 24 Ca 0.45 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.03 2cnp n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cnp s ASP 25 N 0.00 6.77 0.45 1.61 2.15 -1.25 -4.91 116.67 121.49 2cnp s ASP 25 Ca 0.00 0.79 0.30 0.00 0.43 0.00 0.00 52.55 54.08 2cnp s ASP 25 Cb 0.00 -2.55 1.64 0.00 -0.30 0.00 0.00 42.92 41.72 2cnp s ASP 25 CO 0.00 -1.07 1.93 0.11 -0.17 0.00 0.00 175.17 175.97 2cnp h LYS 26 N 8.73 0.00 0.00 4.34 1.79 -1.83 0.54 116.57 130.13 2cnp h LYS 26 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 2cnp h LYS 26 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2cnp h LYS 26 CO 1.08 0.00 0.00 1.58 -1.08 0.00 0.00 179.45 181.03 2cnp n HIS 27 N -2.57 0.46 -4.55 -1.35 -0.00 -1.26 -2.16 115.22 103.79 2cnp n HIS 27 Ca -0.02 0.14 -0.23 0.00 0.46 0.00 0.00 57.72 58.07 2cnp n HIS 27 Cb 0.05 -0.73 -0.16 0.00 -0.12 0.00 0.00 29.99 29.03 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 2cnp s THR 28 N -3.07 1.04 0.07 3.57 -4.23 0.18 -1.86 115.64 111.34 2cnp s THR 28 Ca 0.11 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 2cnp s THR 28 Cb 0.14 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 2cnp s THR 28 CO 0.52 0.32 -0.05 -1.48 -0.54 0.00 0.00 174.62 173.39 2cnp s LEU 29 N 0.42 2.47 0.00 4.79 0.05 0.13 -3.85 118.68 122.69 2cnp s LEU 29 Ca -0.09 -0.95 0.00 0.00 0.05 0.00 0.00 54.13 53.15 2cnp s LEU 29 Cb -0.13 0.02 0.00 0.00 -2.05 0.00 0.00 46.19 44.04 2cnp s LEU 29 CO 0.02 -0.48 0.04 -1.54 -0.55 0.00 0.00 176.35 173.84 2cnp n SER 30 N 0.20 2.38 -0.34 1.48 3.41 -1.26 -0.29 113.62 119.20 2cnp n SER 30 Ca -0.14 -1.87 -0.03 0.00 -0.26 0.00 0.00 58.87 56.57 2cnp n SER 30 Cb 0.60 0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 2cnp n SER 30 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2cnp h LYS 31 N 0.00 -0.04 -0.11 4.33 2.10 -1.81 0.69 116.57 121.73 2cnp h LYS 31 Ca -0.16 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 2cnp h LYS 31 Cb 0.52 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.81 2cnp h LYS 31 CO 0.27 -0.03 -0.20 -0.22 -2.00 0.00 0.00 179.45 177.27 2cnp h LYS 32 N -0.05 -0.26 -0.63 0.07 3.11 -1.96 0.11 116.57 116.96 2cnp h LYS 32 Ca 0.31 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 58.10 2cnp h LYS 32 Cb 0.58 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 2cnp h LYS 32 CO -0.91 -0.17 0.14 0.93 -2.81 0.00 0.00 179.45 176.63 2cnp h GLU 33 N -0.27 1.00 0.48 1.90 5.08 -1.58 0.91 114.58 122.09 2cnp h GLU 33 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2cnp h GLU 33 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2cnp h GLU 33 CO -0.26 0.89 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.34 2cnp h LEU 34 N 0.95 -0.54 -0.30 1.33 -0.00 -0.27 0.16 115.31 116.64 2cnp h LEU 34 Ca 0.20 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.12 2cnp h LEU 34 Cb 0.35 0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.11 2cnp h LEU 34 CO 0.00 -0.35 0.06 0.11 -0.00 0.00 0.00 178.44 178.26 2cnp h LYS 35 N -0.69 0.16 0.00 1.13 1.57 -0.80 -0.35 116.57 117.59 2cnp h LYS 35 Ca -0.07 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2cnp h LYS 35 Cb 0.52 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 2cnp h LYS 35 CO 0.11 0.11 -0.50 1.49 -0.57 0.00 0.00 179.45 180.09 2cnp h GLU 36 N 0.17 -0.62 -0.12 3.15 4.81 -0.75 0.59 114.58 121.81 2cnp h GLU 36 Ca 0.14 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2cnp h GLU 36 Cb 0.15 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2cnp h GLU 36 CO -0.18 -0.41 -0.23 -0.07 -0.73 0.00 0.00 179.01 177.39 2cnp h LEU 37 N -0.65 -0.75 -0.37 1.64 3.38 -0.30 0.52 115.31 118.79 2cnp h LEU 37 Ca 0.03 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2cnp h LEU 37 Cb 0.71 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2cnp h LEU 37 CO -0.34 -0.18 0.18 -0.29 0.09 0.00 0.00 178.44 177.89 2cnp h ILE 38 N -0.20 1.17 0.11 1.22 2.10 -0.95 0.39 117.51 121.34 2cnp h ILE 38 Ca 0.02 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2cnp h ILE 38 Cb 0.26 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2cnp h ILE 38 CO -0.22 0.18 -0.10 -0.61 -1.08 0.00 0.00 178.15 176.32 2cnp h GLN 39 N 0.46 -0.22 0.54 2.19 4.15 -0.76 0.20 115.11 121.67 2cnp h GLN 39 Ca 0.13 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2cnp h GLN 39 Cb 0.12 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.87 2cnp h GLN 39 CO -0.02 -0.15 -0.26 0.87 -1.93 0.00 0.00 178.83 177.35 2cnp h LYS 40 N -0.23 -0.69 0.34 1.69 6.56 -0.72 -3.08 116.57 120.44 2cnp h LYS 40 Ca 0.00 0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2cnp h LYS 40 Cb 0.22 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2cnp h LYS 40 CO -0.03 -0.39 -0.16 0.93 -2.06 0.00 0.00 179.45 177.74 2cnp h GLU 41 N -1.03 -0.44 -2.97 3.15 4.39 -0.92 -3.28 114.58 113.48 2cnp h GLU 41 Ca -0.07 0.03 -0.74 0.00 0.34 0.00 0.00 59.36 58.92 2cnp h GLU 41 Cb 0.63 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 29.26 2cnp h GLU 41 CO 0.12 -0.30 2.44 1.28 -1.16 0.00 0.00 179.01 181.40 2cnp n LEU 42 N -4.63 7.65 -2.12 1.33 4.77 0.71 -4.79 117.00 119.92 2cnp n LEU 42 Ca -0.06 -4.75 -0.07 0.00 -0.03 0.00 0.00 56.01 51.11 2cnp n LEU 42 Cb 0.18 -1.42 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 2cnp n LEU 42 CO 0.14 1.82 1.14 1.07 -1.33 0.00 0.00 177.39 180.23 2cnp n THR 43 N 2.48 1.84 -2.50 -5.08 5.66 -1.16 -4.53 114.28 110.99 2cnp n THR 43 Ca 0.56 -0.88 -0.40 0.00 -3.05 0.00 0.00 64.05 60.28 2cnp n THR 43 Cb 0.29 -1.76 -0.02 0.00 -1.55 0.00 0.00 70.33 67.29 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 1.59 3.98 0.44 1.09 1.01 -1.26 -4.78 121.20 123.27 2cnp s ILE 44 Ca 0.37 -1.45 0.26 0.00 0.00 0.00 0.00 60.65 59.83 2cnp s ILE 44 Cb 0.18 -5.05 0.46 0.00 0.01 0.00 0.00 42.46 38.06 2cnp s ILE 44 CO 0.00 -1.85 1.74 1.23 0.00 0.00 0.00 174.94 176.06 2cnp h GLY 45 N 13.39 0.93 1.87 6.18 0.00 -1.99 0.13 103.07 123.58 2cnp h GLY 45 Ca 0.35 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.56 2cnp h GLY 45 CO 1.42 -0.16 0.06 1.76 0.00 0.00 0.00 176.54 179.61 2cnp h SER 46 N 0.22 0.00 -6.29 0.19 0.02 -2.00 -3.47 113.55 102.22 2cnp h SER 46 Ca 0.65 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 61.17 2cnp h SER 46 Cb 1.98 0.00 0.07 0.00 0.14 0.00 0.00 62.40 64.59 2cnp h SER 46 CO -0.25 0.00 -0.91 0.29 -1.14 0.00 0.00 176.83 174.82 2cnp n LYS 47 N -3.58 -1.13 -1.45 3.45 4.76 0.46 -4.69 118.16 115.98 2cnp n LYS 47 Ca -0.02 0.49 -0.46 0.00 -2.87 0.00 0.00 58.31 55.45 2cnp n LYS 47 Cb 0.14 -3.91 -0.12 0.00 -1.84 0.00 0.00 35.03 29.30 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 -4.06 0.89 0.00 -0.35 4.77 -1.26 -4.31 117.00 112.68 2cnp n LEU 48 Ca -0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2cnp n LEU 48 Cb 0.59 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2cnp n LEU 48 CO 0.67 -0.85 0.00 1.67 -1.33 0.00 0.00 177.39 177.55 2cnp n GLN 49 N 8.32 0.00 0.00 3.23 7.27 -1.26 -3.28 117.38 131.65 2cnp n GLN 49 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.64 2cnp n GLN 49 Cb 0.11 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.76 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2cnp n ASP 50 N 1.76 0.00 -0.37 1.69 8.00 -1.26 -5.02 116.55 121.36 2cnp n ASP 50 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2cnp n ASP 50 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cnp n ALA 51 N -1.36 -0.43 -0.19 2.24 0.00 -1.21 -0.58 120.51 118.98 2cnp n ALA 51 Ca 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 2cnp n ALA 51 Cb 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 19.45 19.36 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 0.97 0.38 0.00 4.81 -1.89 0.16 114.58 119.00 2cnp h GLU 52 Ca 0.20 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2cnp h GLU 52 Cb 0.42 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2cnp h GLU 52 CO -0.86 0.87 -0.18 0.82 -0.73 0.00 0.00 179.01 178.93 2cnp h ILE 53 N 0.93 0.64 -0.82 2.32 5.03 -1.24 -0.12 117.51 124.24 2cnp h ILE 53 Ca 0.20 -0.19 0.06 0.00 -0.12 0.00 0.00 64.86 64.80 2cnp h ILE 53 Cb 0.34 0.74 -0.06 0.00 -3.03 0.00 0.00 36.82 34.81 2cnp h ILE 53 CO 0.00 0.04 0.51 0.58 -0.68 0.00 0.00 178.15 178.60 2cnp h VAL 54 N -0.61 1.05 0.06 1.67 2.07 -0.50 0.10 116.25 120.09 2cnp h VAL 54 Ca -0.05 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2cnp h VAL 54 Cb 0.45 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2cnp h VAL 54 CO 0.08 0.17 -0.03 0.11 0.02 0.00 0.00 177.57 177.93 2cnp h LYS 55 N 0.94 -0.08 -0.63 1.57 6.56 -0.47 0.28 116.57 124.74 2cnp h LYS 55 Ca 0.36 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 60.04 2cnp h LYS 55 Cb 0.14 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.75 2cnp h LYS 55 CO -0.16 -0.05 0.27 -0.07 -2.06 0.00 0.00 179.45 177.37 2cnp h LEU 56 N -0.08 0.30 0.72 2.94 3.38 -0.24 0.13 115.31 122.46 2cnp h LEU 56 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2cnp h LEU 56 Cb 0.06 0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2cnp h LEU 56 CO 0.01 0.18 -0.34 0.24 0.09 0.00 0.00 178.44 178.62 2cnp h MET 57 N 0.47 -0.93 -0.96 1.13 2.86 -0.74 -3.26 114.93 113.51 2cnp h MET 57 Ca 0.32 0.06 0.31 0.00 -2.06 0.00 0.00 59.70 58.33 2cnp h MET 57 Cb 0.37 0.21 -0.16 0.00 0.06 0.00 0.00 31.60 32.08 2cnp h MET 57 CO -0.29 -0.62 0.33 0.22 1.06 0.00 0.00 176.91 177.61 2cnp h ASP 58 N -1.19 0.07 -0.85 1.22 3.58 -0.21 -0.24 116.42 118.80 2cnp h ASP 58 Ca -0.10 0.23 0.22 0.00 0.42 0.00 0.00 57.03 57.80 2cnp h ASP 58 Cb 0.74 0.29 -0.14 0.00 1.72 0.00 0.00 39.33 41.94 2cnp h ASP 58 CO 0.16 -0.27 0.17 -0.78 -2.88 0.00 0.00 179.24 175.64 2cnp h ASP 59 N 0.13 -0.10 0.69 2.28 3.58 -1.01 0.18 116.42 122.17 2cnp h ASP 59 Ca 0.68 0.20 0.00 0.00 0.42 0.00 0.00 57.03 58.32 2cnp h ASP 59 Cb 1.55 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.89 2cnp h ASP 59 CO -0.74 -0.16 0.00 0.00 -2.88 0.00 0.00 179.24 175.46 2cnp n LEU 60 N -5.26 0.22 -0.09 2.28 -0.00 -0.10 0.17 117.00 114.21 2cnp n LEU 60 Ca 0.19 0.55 -0.16 0.00 -0.00 0.00 0.00 56.01 56.59 2cnp n LEU 60 Cb 0.62 -0.51 -0.08 0.00 -0.00 0.00 0.00 43.42 43.46 2cnp n LEU 60 CO 0.06 -0.29 -0.51 -0.67 -0.00 0.00 0.00 177.39 175.98 2cnp n ASP 61 N -1.74 1.85 -0.05 1.45 2.03 0.35 -2.83 116.55 117.61 2cnp n ASP 61 Ca 0.04 0.50 0.17 0.00 0.52 0.00 0.00 54.79 56.01 2cnp n ASP 61 Cb 0.23 -0.92 0.60 0.00 -0.72 0.00 0.00 41.12 40.30 2cnp n ASP 61 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2cnp h ARG 62 N -1.00 0.19 -2.43 -0.67 2.43 -0.64 -3.13 114.38 109.13 2cnp h ARG 62 Ca -0.23 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.34 2cnp h ARG 62 Cb 1.02 -0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 30.14 2cnp h ARG 62 CO -0.14 0.13 -0.90 0.09 -1.51 0.00 0.00 179.97 177.64 2cnp n ASN 63 N -4.43 0.57 0.17 -3.80 3.02 0.13 -4.68 115.26 106.24 2cnp n ASN 63 Ca 0.10 -2.66 -0.11 0.00 -0.03 0.00 0.00 54.58 51.89 2cnp n ASN 63 Cb 0.51 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 2cnp n ASN 63 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2cnp h LYS 64 N 5.20 -0.49 -0.97 3.52 1.57 -1.47 -3.40 116.57 120.54 2cnp h LYS 64 Ca 0.21 0.03 -0.35 0.00 -1.87 0.00 0.00 60.65 58.67 2cnp h LYS 64 Cb 0.86 0.11 -0.28 0.00 0.08 0.00 0.00 32.23 33.00 2cnp h LYS 64 CO 0.48 -0.21 -0.83 -0.25 -0.57 0.00 0.00 179.45 178.07 2cnp n ASP 65 N -5.12 -0.63 -4.52 0.86 8.00 -1.26 -5.00 116.55 108.88 2cnp n ASP 65 Ca -0.08 -3.25 -0.25 0.00 0.71 0.00 0.00 54.79 51.93 2cnp n ASP 65 Cb 0.26 0.56 -0.11 0.00 -0.02 0.00 0.00 41.12 41.81 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cnp s GLN 66 N -1.18 1.75 -0.10 -1.24 1.11 -1.26 -5.15 119.66 113.59 2cnp s GLN 66 Ca 0.30 -1.91 0.02 0.00 0.01 0.00 0.00 55.36 53.78 2cnp s GLN 66 Cb 0.34 -1.50 -0.01 0.00 -1.01 0.00 0.00 33.01 30.83 2cnp s GLN 66 CO -0.06 0.07 -0.17 -1.21 0.01 0.00 0.00 175.29 173.93 2cnp s GLU 67 N -3.67 3.06 0.14 2.91 8.01 -1.26 -4.31 118.70 123.57 2cnp s GLU 67 Ca 0.32 -0.75 -0.03 0.00 0.01 0.00 0.00 54.97 54.53 2cnp s GLU 67 Cb 0.04 -2.47 -0.05 0.00 -4.31 0.00 0.00 34.13 27.35 2cnp s GLU 67 CO 0.15 0.31 0.34 0.14 0.01 0.00 0.00 175.26 176.21 2cnp s VAL 68 N 0.08 5.23 0.69 2.63 -7.23 0.61 -4.87 120.40 117.54 2cnp s VAL 68 Ca -0.07 -0.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2cnp s VAL 68 Cb -0.15 -3.65 0.11 0.00 0.56 0.00 0.00 36.38 33.25 2cnp s VAL 68 CO 0.05 0.01 0.95 0.54 -0.31 0.00 0.00 175.10 176.34 2cnp s ASN 69 N -2.64 4.52 0.12 4.85 4.22 -1.26 -0.69 114.94 124.05 2cnp s ASN 69 Ca 0.39 -0.39 -0.24 0.00 -2.14 0.00 0.00 52.86 50.48 2cnp s ASN 69 Cb -0.12 -0.06 -0.06 0.00 1.28 0.00 0.00 41.25 42.29 2cnp s ASN 69 CO 0.27 -1.74 1.41 0.15 -2.04 0.00 0.00 177.10 175.15 2cnp h PHE 70 N -0.39 -1.41 -0.72 1.54 3.57 -1.74 0.85 116.94 118.63 2cnp h PHE 70 Ca -0.36 0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 2cnp h PHE 70 Cb 1.27 0.70 -0.04 0.00 2.79 0.00 0.00 35.95 40.68 2cnp h PHE 70 CO -0.07 -0.30 0.44 0.37 -2.23 0.00 0.00 178.31 176.52 2cnp h GLN 71 N -0.06 0.97 -0.49 1.11 5.75 -1.95 0.14 115.11 120.58 2cnp h GLN 71 Ca 0.11 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2cnp h GLN 71 Cb 0.34 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2cnp h GLN 71 CO -0.66 0.67 0.27 0.93 -2.65 0.00 0.00 178.83 177.40 2cnp h GLU 72 N 0.99 0.68 -0.30 1.69 4.39 -1.75 0.37 114.58 120.64 2cnp h GLU 72 Ca 0.26 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.94 2cnp h GLU 72 Cb -0.05 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 2cnp h GLU 72 CO -0.05 0.53 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.33 2cnp h TYR 73 N 0.65 -0.16 -0.87 4.33 3.20 0.60 0.18 116.97 124.89 2cnp h TYR 73 Ca 0.17 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2cnp h TYR 73 Cb 0.04 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 2cnp h TYR 73 CO -0.02 -0.13 0.57 0.82 -1.64 0.00 0.00 178.16 177.76 2cnp h ILE 74 N -0.00 1.09 -0.53 1.81 1.08 -0.38 -0.73 117.51 119.84 2cnp h ILE 74 Ca 0.14 -0.35 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 2cnp h ILE 74 Cb 0.22 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 2cnp h ILE 74 CO -0.31 0.19 0.11 0.74 -0.69 0.00 0.00 178.15 178.18 2cnp h THR 75 N 1.02 1.25 -0.01 -0.27 2.02 0.10 0.29 112.91 117.31 2cnp h THR 75 Ca 0.36 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.66 2cnp h THR 75 Cb 0.14 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2cnp h THR 75 CO -0.12 0.33 -0.18 0.15 0.37 0.00 0.00 175.52 176.07 2cnp h PHE 76 N 0.76 -0.47 -0.51 3.16 3.57 0.13 0.16 116.94 123.74 2cnp h PHE 76 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2cnp h PHE 76 Cb 0.37 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2cnp h PHE 76 CO 0.03 -0.26 0.32 -0.07 -2.23 0.00 0.00 178.31 176.10 2cnp h LEU 77 N -0.29 0.61 -0.38 0.59 3.38 -0.95 -0.51 115.31 117.76 2cnp h LEU 77 Ca 0.06 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2cnp h LEU 77 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2cnp h LEU 77 CO -0.18 0.48 0.06 1.23 0.09 0.00 0.00 178.44 180.13 2cnp h GLY 78 N 0.69 0.68 0.99 0.83 0.00 -0.08 0.12 103.07 106.31 2cnp h GLY 78 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2cnp h GLY 78 CO -0.04 0.42 -0.11 0.00 0.00 0.00 0.00 176.54 176.82 2cnp h ALA 79 N 0.92 -0.29 -0.29 3.60 0.00 -0.61 0.81 119.26 123.40 2cnp h ALA 79 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2cnp h ALA 79 Cb 0.36 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 2cnp h ALA 79 CO 0.01 -0.66 -0.48 1.25 0.00 0.00 0.00 179.25 179.37 2cnp h LEU 80 N -0.29 -1.55 -0.25 0.00 5.85 -0.89 1.00 115.31 119.18 2cnp h LEU 80 Ca -0.03 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.96 2cnp h LEU 80 Cb 0.23 0.64 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 2cnp h LEU 80 CO 0.04 -0.42 -0.35 0.00 -0.34 0.00 0.00 178.44 177.37 2cnp h ALA 81 N 0.11 -0.36 -0.56 1.25 0.00 -0.58 -1.57 119.26 117.55 2cnp h ALA 81 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cnp h ALA 81 Cb 0.62 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2cnp h ALA 81 CO -0.51 -0.81 0.35 1.98 0.00 0.00 0.00 179.25 180.26 2cnp h MET 82 N -0.36 0.74 0.41 0.00 1.85 -0.40 0.24 114.93 117.42 2cnp h MET 82 Ca 0.12 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2cnp h MET 82 Cb 0.56 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 32.43 2cnp h MET 82 CO -0.45 0.52 -0.23 0.82 -0.40 0.00 0.00 176.91 177.17 2cnp h ILE 83 N 0.75 0.52 0.00 1.77 2.04 -0.17 -3.15 117.51 119.28 2cnp h ILE 83 Ca 0.20 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.85 2cnp h ILE 83 Cb -0.04 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2cnp h ILE 83 CO -0.04 0.00 -0.91 0.10 0.00 0.00 0.00 178.15 177.30 2cnp h TYR 84 N -0.61 0.44 -0.14 1.37 -0.00 -1.24 -3.30 116.97 113.49 2cnp h TYR 84 Ca -0.05 -0.24 -0.71 0.00 0.00 0.00 0.00 58.73 57.73 2cnp h TYR 84 Cb 0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 36.73 37.12 2cnp h TYR 84 CO -0.08 1.06 3.00 0.09 -0.00 0.00 0.00 178.16 182.24 2cnp n ASN 85 N -3.70 4.02 -0.39 0.10 3.02 0.85 -4.77 115.26 114.39 2cnp n ASN 85 Ca -0.05 -2.86 0.36 0.00 -0.03 0.00 0.00 54.58 52.00 2cnp n ASN 85 Cb 0.82 -1.66 0.72 0.00 -0.61 0.00 0.00 39.78 39.05 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2cnp h GLU 86 N 6.16 0.07 -1.17 3.52 5.08 -1.64 0.15 114.58 126.74 2cnp h GLU 86 Ca 0.55 -0.00 0.40 0.00 -1.00 0.00 0.00 59.36 59.31 2cnp h GLU 86 Cb 0.66 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.76 2cnp h GLU 86 CO 1.84 0.04 0.71 0.00 -1.00 0.00 0.00 179.01 180.60 2cnp h ALA 87 N 1.40 2.42 0.00 3.43 0.00 -1.86 0.88 119.26 125.53 2cnp h ALA 87 Ca 0.65 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.72 2cnp h ALA 87 Cb 2.40 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.41 2cnp h ALA 87 CO -0.09 -1.07 -0.08 1.28 0.00 0.00 0.00 179.25 179.29 2cnp n LEU 88 N -4.89 0.62 -3.09 0.00 4.77 0.04 -4.51 117.00 109.94 2cnp n LEU 88 Ca 0.36 0.51 -0.34 0.00 -0.03 0.00 0.00 56.01 56.50 2cnp n LEU 88 Cb 1.28 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.98 2cnp n LEU 88 CO 0.14 -0.12 2.87 0.29 -1.33 0.00 0.00 177.39 179.24 2cnp n LYS 89 N -2.06 3.53 0.00 3.23 5.02 0.30 -5.09 118.16 123.09 2cnp n LYS 89 Ca 0.06 -2.23 0.05 0.00 -2.02 0.00 0.00 58.31 54.16 2cnp n LYS 89 Cb 0.41 -2.61 0.04 0.00 -0.02 0.00 0.00 35.03 32.85 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29