#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 5.71 -0.60 3.04 0.00 -1.26 -4.88 120.51 122.53 2cnp n ALA 2 Ca 0.00 -3.63 -0.30 0.00 0.00 0.00 0.00 53.44 49.51 2cnp n ALA 2 Cb 0.00 -3.49 0.20 0.00 0.00 0.00 0.00 19.45 16.17 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 5.58 -1.40 -0.26 0.00 7.64 -1.26 -4.40 113.62 119.53 2cnp n SER 3 Ca 0.58 0.04 0.05 0.00 1.01 0.00 0.00 58.87 60.55 2cnp n SER 3 Cb 0.34 -1.25 0.15 0.00 -1.01 0.00 0.00 64.21 62.44 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 -2.26 0.08 -0.17 1.43 0.11 -1.99 0.14 132.00 129.35 2cnp h PRO 4 Ca -0.54 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.60 2cnp h PRO 4 Cb 1.32 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 2cnp h PRO 4 CO 0.43 0.06 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.18 2cnp h LEU 5 N 0.09 -0.12 -0.53 2.35 3.38 -1.98 0.54 115.31 119.04 2cnp h LEU 5 Ca 0.40 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.44 2cnp h LEU 5 Cb 0.70 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2cnp h LEU 5 CO -0.68 -0.04 0.32 -0.78 0.09 0.00 0.00 178.44 177.36 2cnp h ASP 6 N 0.02 0.53 -0.03 -0.43 3.58 -1.14 0.17 116.42 119.12 2cnp h ASP 6 Ca 0.08 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.54 2cnp h ASP 6 Cb 0.11 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2cnp h ASP 6 CO -0.16 0.38 -0.01 -0.61 -2.88 0.00 0.00 179.24 175.96 2cnp h GLN 7 N 0.64 0.00 -0.29 0.28 5.75 -0.64 0.21 115.11 121.06 2cnp h GLN 7 Ca 0.21 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2cnp h GLN 7 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2cnp h GLN 7 CO -0.08 0.00 0.07 0.00 -2.65 0.00 0.00 178.83 176.16 2cnp h ALA 8 N 1.03 0.39 -0.19 3.38 0.00 -0.47 0.15 119.26 123.55 2cnp h ALA 8 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2cnp h ALA 8 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2cnp h ALA 8 CO -0.03 0.05 -0.11 0.82 0.00 0.00 0.00 179.25 179.99 2cnp h ILE 9 N 0.31 0.67 -0.64 0.00 2.04 -0.64 -0.90 117.51 118.36 2cnp h ILE 9 Ca 0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.08 2cnp h ILE 9 Cb 0.30 0.67 -0.12 0.00 -0.74 0.00 0.00 36.82 36.93 2cnp h ILE 9 CO 0.00 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.27 2cnp h GLY 10 N -0.09 0.53 0.49 5.37 0.00 -0.05 0.12 103.07 109.43 2cnp h GLY 10 Ca 0.11 0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.62 2cnp h GLY 10 CO -0.25 -0.24 -0.37 1.41 0.00 0.00 0.00 176.54 177.09 2cnp h LEU 11 N 0.03 -1.03 -0.78 3.11 3.38 -0.08 0.17 115.31 120.11 2cnp h LEU 11 Ca 0.32 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.44 2cnp h LEU 11 Cb 0.50 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 2cnp h LEU 11 CO -0.62 -0.48 0.47 -0.07 0.09 0.00 0.00 178.44 177.83 2cnp h LEU 12 N -0.68 0.74 0.41 1.67 4.07 -0.03 0.11 115.31 121.61 2cnp h LEU 12 Ca 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2cnp h LEU 12 Cb 0.65 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2cnp h LEU 12 CO -0.14 0.48 -0.20 0.40 -1.08 0.00 0.00 178.44 177.90 2cnp h ILE 13 N 0.88 0.58 -0.13 1.22 2.04 -0.65 -0.20 117.51 121.25 2cnp h ILE 13 Ca 0.34 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.23 2cnp h ILE 13 Cb 0.15 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2cnp h ILE 13 CO -0.17 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 179.14 2cnp h GLY 14 N -0.56 0.04 0.09 5.37 0.00 -0.10 0.61 103.07 108.52 2cnp h GLY 14 Ca -0.05 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.44 2cnp h GLY 14 CO 0.08 -0.09 -0.19 -2.22 0.00 0.00 0.00 176.54 174.13 2cnp h ILE 15 N -0.07 0.45 0.20 2.60 1.08 -0.80 0.15 117.51 121.12 2cnp h ILE 15 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 2cnp h ILE 15 Cb 0.18 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 2cnp h ILE 15 CO -0.17 0.00 -0.45 0.15 -0.69 0.00 0.00 178.15 176.99 2cnp h PHE 16 N -0.13 -1.28 0.00 1.37 3.57 -0.02 -2.92 116.94 117.53 2cnp h PHE 16 Ca 0.18 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 2cnp h PHE 16 Cb 0.41 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2cnp h PHE 16 CO -0.41 -0.53 -0.10 0.45 -2.23 0.00 0.00 178.31 175.49 2cnp h HIS 17 N -0.71 0.00 -0.98 0.41 3.86 -0.53 0.15 115.15 117.35 2cnp h HIS 17 Ca -0.02 0.00 0.27 0.00 -1.16 0.00 0.00 60.37 59.46 2cnp h HIS 17 Cb 0.68 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.09 2cnp h HIS 17 CO -0.37 0.10 0.68 -0.22 0.86 0.00 0.00 177.93 178.99 2cnp h LYS 18 N 0.00 0.13 0.00 2.45 3.64 -0.51 0.14 116.57 122.42 2cnp h LYS 18 Ca -0.00 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 2cnp h LYS 18 Cb 0.35 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2cnp h LYS 18 CO 0.01 0.09 -1.50 0.66 -2.27 0.00 0.00 179.45 176.44 2cnp n TYR 19 N -4.35 0.00 -0.01 1.91 4.02 -0.12 -4.77 117.16 113.84 2cnp n TYR 19 Ca 0.21 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.99 2cnp n TYR 19 Cb 0.96 -0.35 -0.14 0.00 -0.02 0.00 0.00 39.34 39.79 2cnp n TYR 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2cnp h SER 20 N 0.00 0.10 0.00 7.72 4.64 -0.74 -3.41 113.55 121.85 2cnp h SER 20 Ca -0.20 -0.20 -0.23 0.00 -0.47 0.00 0.00 61.79 60.70 2cnp h SER 20 Cb 1.39 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.39 2cnp h SER 20 CO -0.00 1.18 -0.04 0.61 -0.87 0.00 0.00 176.83 177.70 2cnp n GLY 21 N 1.62 3.10 0.68 -0.77 0.00 0.48 -4.12 105.19 106.19 2cnp n GLY 21 Ca -0.18 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.55 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 2.59 0.12 -3.73 1.61 4.76 -1.26 -4.94 118.16 117.31 2cnp n LYS 22 Ca 0.46 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.87 2cnp n LYS 22 Cb 0.86 -0.77 -0.02 0.00 -1.84 0.00 0.00 35.03 33.26 2cnp n LYS 22 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2cnp s GLU 23 N -2.10 1.54 3.65 1.97 -1.05 -1.26 -5.10 118.70 116.35 2cnp s GLU 23 Ca -0.08 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 2cnp s GLU 23 Cb 0.03 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 2cnp s GLU 23 CO 0.10 -0.70 0.00 0.41 0.95 0.00 0.00 175.26 176.02 2cnp n GLY 24 N -0.43 3.10 2.89 -3.83 0.00 -1.26 -3.45 105.19 102.22 2cnp n GLY 24 Ca -0.07 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2cnp n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cnp n ASP 25 N 4.13 3.86 0.20 1.61 9.92 -1.26 -4.75 116.55 130.26 2cnp n ASP 25 Ca 0.00 -2.83 0.11 0.00 -0.53 0.00 0.00 54.79 51.54 2cnp n ASP 25 Cb 0.00 -1.62 0.59 0.00 -0.64 0.00 0.00 41.12 39.45 2cnp n ASP 25 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2cnp h LYS 26 N 6.45 0.00 0.00 -1.24 1.57 -1.75 0.16 116.57 121.76 2cnp h LYS 26 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2cnp h LYS 26 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2cnp h LYS 26 CO 1.83 0.00 0.00 1.58 -0.57 0.00 0.00 179.45 182.29 2cnp n HIS 27 N -2.33 0.00 -4.36 -1.35 -0.00 -1.26 -4.36 115.22 101.56 2cnp n HIS 27 Ca -0.01 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.98 2cnp n HIS 27 Cb 0.18 -0.22 -0.10 0.00 -0.12 0.00 0.00 29.99 29.73 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 -2.43 1.10 0.27 3.57 -4.23 0.56 -1.01 115.64 113.46 2cnp s THR 28 Ca 0.29 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2cnp s THR 28 Cb 0.18 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.61 2cnp s THR 28 CO 0.38 -0.24 0.60 0.00 -0.54 0.00 0.00 174.62 174.81 2cnp n LEU 29 N -0.49 0.00 -4.28 4.79 -0.00 -0.40 -4.70 117.00 111.92 2cnp n LEU 29 Ca -0.04 -1.77 -0.18 0.00 -0.00 0.00 0.00 56.01 54.02 2cnp n LEU 29 Cb 0.64 2.69 -0.09 0.00 -0.00 0.00 0.00 43.42 46.67 2cnp n LEU 29 CO 0.38 -0.59 -0.15 -0.94 -0.00 0.00 0.00 177.39 176.09 2cnp s SER 30 N -2.54 1.38 0.13 1.45 1.04 -1.26 -0.35 113.70 113.55 2cnp s SER 30 Ca 0.12 -1.66 -0.09 0.00 0.48 0.00 0.00 55.95 54.80 2cnp s SER 30 Cb -0.03 0.50 0.14 0.00 0.10 0.00 0.00 66.02 66.73 2cnp s SER 30 CO 0.08 -1.00 0.84 2.29 0.98 0.00 0.00 173.24 176.44 2cnp n LYS 31 N -0.56 -0.12 -0.03 4.02 2.85 -1.26 -0.18 118.16 122.88 2cnp n LYS 31 Ca 0.05 0.84 -0.09 0.00 -1.05 0.00 0.00 58.31 58.06 2cnp n LYS 31 Cb 0.63 -1.24 -0.03 0.00 -0.65 0.00 0.00 35.03 33.74 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2cnp h LYS 32 N 0.00 0.11 -0.45 -1.58 3.64 -1.98 0.15 116.57 116.45 2cnp h LYS 32 Ca 0.19 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2cnp h LYS 32 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2cnp h LYS 32 CO -0.54 0.07 0.06 0.93 -2.27 0.00 0.00 179.45 177.70 2cnp h GLU 33 N 0.11 0.70 -0.12 1.90 3.07 -0.97 0.04 114.58 119.31 2cnp h GLU 33 Ca 0.08 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 2cnp h GLU 33 Cb 0.07 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2cnp h GLU 33 CO -0.10 0.68 -0.05 -0.07 -1.40 0.00 0.00 179.01 178.07 2cnp h LEU 34 N 0.67 0.25 -0.40 1.33 3.38 -0.34 0.23 115.31 120.44 2cnp h LEU 34 Ca 0.14 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2cnp h LEU 34 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2cnp h LEU 34 CO 0.01 0.59 0.14 0.11 0.09 0.00 0.00 178.44 179.38 2cnp h LYS 35 N -0.10 0.29 0.26 1.13 1.57 -0.60 -0.36 116.57 118.76 2cnp h LYS 35 Ca 0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2cnp h LYS 35 Cb 0.49 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2cnp h LYS 35 CO 0.02 0.19 -0.44 0.93 -0.57 0.00 0.00 179.45 179.58 2cnp h GLU 36 N 0.29 -0.74 -0.39 3.15 5.08 -0.88 -0.25 114.58 120.85 2cnp h GLU 36 Ca 0.18 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2cnp h GLU 36 Cb 0.17 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2cnp h GLU 36 CO -0.19 -0.49 -0.50 -0.07 -1.00 0.00 0.00 179.01 176.76 2cnp h LEU 37 N -0.76 -1.67 0.03 1.33 3.38 -0.07 0.25 115.31 117.80 2cnp h LEU 37 Ca -0.01 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2cnp h LEU 37 Cb 0.73 0.69 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2cnp h LEU 37 CO -0.17 -0.35 -0.01 -0.29 0.09 0.00 0.00 178.44 177.71 2cnp h ILE 38 N -0.33 1.01 0.29 1.22 2.10 -1.03 0.13 117.51 120.91 2cnp h ILE 38 Ca 0.07 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.87 2cnp h ILE 38 Cb 0.52 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 2cnp h ILE 38 CO -0.54 0.03 -0.14 -0.61 -1.08 0.00 0.00 178.15 175.81 2cnp h GLN 39 N -0.09 -0.38 0.60 2.19 4.15 -0.61 0.98 115.11 121.95 2cnp h GLN 39 Ca -0.00 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2cnp h GLN 39 Cb 0.08 0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.86 2cnp h GLN 39 CO 0.01 -0.19 -0.29 0.87 -1.93 0.00 0.00 178.83 177.30 2cnp h LYS 40 N -0.49 -0.77 0.08 1.69 6.56 -0.53 -3.34 116.57 119.77 2cnp h LYS 40 Ca -0.04 0.05 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 2cnp h LYS 40 Cb 0.37 0.18 0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2cnp h LYS 40 CO 0.07 -0.48 -0.49 0.93 -2.06 0.00 0.00 179.45 177.42 2cnp h GLU 41 N -1.15 0.19 -2.97 3.15 4.39 -0.79 -3.28 114.58 114.11 2cnp h GLU 41 Ca -0.08 -0.31 -0.70 0.00 0.34 0.00 0.00 59.36 58.60 2cnp h GLU 41 Cb 0.65 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 2cnp h GLU 41 CO 0.13 1.14 3.19 1.28 -1.16 0.00 0.00 179.01 183.60 2cnp n LEU 42 N -4.32 8.26 -3.62 1.33 4.77 0.34 -4.76 117.00 118.99 2cnp n LEU 42 Ca -0.12 -4.55 -0.42 0.00 -0.03 0.00 0.00 56.01 50.89 2cnp n LEU 42 Cb 0.68 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 2cnp n LEU 42 CO 0.43 1.96 2.33 1.07 -1.33 0.00 0.00 177.39 181.85 2cnp n THR 43 N 3.02 2.39 0.09 -5.08 5.66 -1.24 -4.64 114.28 114.47 2cnp n THR 43 Ca 0.69 -2.02 -0.12 0.00 -3.05 0.00 0.00 64.05 59.54 2cnp n THR 43 Cb 0.26 -2.40 -0.10 0.00 -1.55 0.00 0.00 70.33 66.54 2cnp n THR 43 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 2cnp h ILE 44 N 4.25 1.53 0.00 1.09 2.10 -1.90 -3.50 117.51 121.08 2cnp h ILE 44 Ca 0.48 -2.98 0.00 0.00 1.08 0.00 0.00 64.86 63.44 2cnp h ILE 44 Cb 0.62 2.77 0.00 0.00 -1.09 0.00 0.00 36.82 39.13 2cnp h ILE 44 CO 1.91 0.87 0.00 0.61 -1.08 0.00 0.00 178.15 180.46 2cnp n GLY 45 N 1.30 0.73 2.78 8.18 0.00 -1.26 -4.88 105.19 112.03 2cnp n GLY 45 Ca -0.06 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.71 2cnp n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cnp n SER 46 N 0.00 4.21 -3.54 1.61 3.41 -1.26 -4.57 113.62 113.48 2cnp n SER 46 Ca 0.00 -2.69 -0.19 0.00 -0.26 0.00 0.00 58.87 55.72 2cnp n SER 46 Cb 0.00 -1.41 0.01 0.00 -0.26 0.00 0.00 64.21 62.56 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cnp n LYS 47 N 5.84 -1.35 -1.95 4.33 5.02 -1.26 -4.72 118.16 124.07 2cnp n LYS 47 Ca 0.54 0.89 -0.24 0.00 -2.02 0.00 0.00 58.31 57.47 2cnp n LYS 47 Cb 0.34 -3.87 -0.06 0.00 -0.02 0.00 0.00 35.03 31.42 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cnp s LEU 48 N -5.15 3.00 0.00 -0.35 1.43 -1.26 -4.63 118.68 111.73 2cnp s LEU 48 Ca 0.14 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2cnp s LEU 48 Cb -0.05 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2cnp s LEU 48 CO 0.84 -3.23 0.00 1.67 0.23 0.00 0.00 176.35 175.87 2cnp n GLN 49 N 8.58 0.00 -0.28 1.70 0.00 -1.26 -4.75 117.38 121.36 2cnp n GLN 49 Ca 0.43 0.00 0.18 0.00 -0.00 0.00 0.00 57.00 57.61 2cnp n GLN 49 Cb 0.46 0.00 0.34 0.00 0.00 0.00 0.00 30.24 31.04 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2cnp n ASP 50 N -0.68 0.06 -0.21 1.69 9.92 -1.26 -2.01 116.55 124.07 2cnp n ASP 50 Ca 0.00 1.40 -0.03 0.00 -0.53 0.00 0.00 54.79 55.63 2cnp n ASP 50 Cb 0.00 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 39.90 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n ALA 51 N -2.91 -0.17 -0.21 2.24 0.00 -1.26 -0.39 120.51 117.82 2cnp n ALA 51 Ca 0.24 0.48 -0.08 0.00 0.00 0.00 0.00 53.44 54.08 2cnp n ALA 51 Cb 0.81 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 20.12 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 0.19 0.00 4.22 -1.70 0.14 114.58 118.40 2cnp h GLU 52 Ca 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 2cnp h GLU 52 Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2cnp h GLU 52 CO -0.50 0.90 -0.09 0.82 -2.18 0.00 0.00 179.01 177.96 2cnp h ILE 53 N 0.87 0.91 -0.94 2.32 5.03 -0.99 -0.66 117.51 124.06 2cnp h ILE 53 Ca 0.18 -0.62 0.15 0.00 -0.12 0.00 0.00 64.86 64.45 2cnp h ILE 53 Cb 0.39 1.27 -0.09 0.00 -3.03 0.00 0.00 36.82 35.36 2cnp h ILE 53 CO 0.01 0.14 0.55 0.58 -0.68 0.00 0.00 178.15 178.74 2cnp h VAL 54 N -0.57 0.79 0.19 1.67 2.07 -0.58 -0.03 116.25 119.79 2cnp h VAL 54 Ca -0.03 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2cnp h VAL 54 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2cnp h VAL 54 CO 0.04 0.14 -0.09 0.11 0.02 0.00 0.00 177.57 177.80 2cnp h LYS 55 N 0.79 -0.24 -0.82 1.57 6.56 -0.33 0.30 116.57 124.39 2cnp h LYS 55 Ca 0.50 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 60.25 2cnp h LYS 55 Cb 0.65 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 32.27 2cnp h LYS 55 CO -0.33 -0.14 0.40 -0.07 -2.06 0.00 0.00 179.45 177.25 2cnp h LEU 56 N -0.28 0.47 0.43 2.94 3.38 0.21 0.55 115.31 123.02 2cnp h LEU 56 Ca -0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2cnp h LEU 56 Cb 0.21 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2cnp h LEU 56 CO 0.04 0.19 -0.21 0.24 0.09 0.00 0.00 178.44 178.80 2cnp h MET 57 N 0.58 -0.56 -0.99 1.13 2.86 -0.74 -3.32 114.93 113.89 2cnp h MET 57 Ca 0.45 0.04 0.30 0.00 -2.06 0.00 0.00 59.70 58.43 2cnp h MET 57 Cb 0.64 0.13 -0.15 0.00 0.06 0.00 0.00 31.60 32.29 2cnp h MET 57 CO -0.37 -0.38 0.53 0.22 1.06 0.00 0.00 176.91 177.97 2cnp h ASP 58 N -0.92 0.47 -0.97 1.22 3.58 -0.21 0.16 116.42 119.75 2cnp h ASP 58 Ca -0.06 0.19 0.25 0.00 0.42 0.00 0.00 57.03 57.82 2cnp h ASP 58 Cb 0.45 0.14 -0.18 0.00 1.72 0.00 0.00 39.33 41.46 2cnp h ASP 58 CO 0.10 -0.11 -0.03 -0.78 -2.88 0.00 0.00 179.24 175.54 2cnp h ASP 59 N 0.34 -0.55 0.33 2.28 3.58 -0.99 0.27 116.42 121.68 2cnp h ASP 59 Ca 0.70 0.28 -0.02 0.00 0.42 0.00 0.00 57.03 58.41 2cnp h ASP 59 Cb 1.55 0.50 0.00 0.00 1.72 0.00 0.00 39.33 43.10 2cnp h ASP 59 CO -0.60 -0.33 -0.16 -0.07 -2.88 0.00 0.00 179.24 175.20 2cnp h LEU 60 N 0.02 -0.37 -1.51 2.28 4.07 -1.13 0.71 115.31 119.38 2cnp h LEU 60 Ca 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.42 2cnp h LEU 60 Cb 1.08 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.90 2cnp h LEU 60 CO -0.92 -0.13 0.21 0.44 -1.08 0.00 0.00 178.44 176.96 2cnp h ASP 61 N -0.61 0.47 0.42 -0.43 5.19 -1.33 -2.07 116.42 118.06 2cnp h ASP 61 Ca -0.04 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 2cnp h ASP 61 Cb 0.44 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2cnp h ASP 61 CO 0.07 0.39 -0.20 -0.09 -3.12 0.00 0.00 179.24 176.29 2cnp h ARG 62 N 0.54 -0.54 -3.47 3.56 2.43 -0.40 -3.34 114.38 113.15 2cnp h ARG 62 Ca 0.14 0.04 -0.73 0.00 -0.81 0.00 0.00 59.98 58.62 2cnp h ARG 62 Cb 0.03 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 2cnp h ARG 62 CO -0.02 -0.24 2.70 0.09 -1.51 0.00 0.00 179.97 180.98 2cnp n ASN 63 N -5.23 5.60 -3.47 -3.80 3.02 0.23 -4.83 115.26 106.78 2cnp n ASN 63 Ca -0.10 -2.95 -0.36 0.00 -0.03 0.00 0.00 54.58 51.13 2cnp n ASN 63 Cb 0.29 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 2cnp n ASN 63 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2cnp n LYS 64 N 4.25 2.08 -3.92 3.52 5.02 -1.21 -4.26 118.16 123.64 2cnp n LYS 64 Ca 0.52 -1.87 -0.26 0.00 -2.02 0.00 0.00 58.31 54.69 2cnp n LYS 64 Cb 0.34 -2.82 -0.00 0.00 -0.02 0.00 0.00 35.03 32.53 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2cnp n ASP 65 N 5.90 -1.25 -4.03 4.39 8.00 -1.26 -5.00 116.55 123.30 2cnp n ASP 65 Ca 0.51 -0.94 -0.10 0.00 0.71 0.00 0.00 54.79 54.97 2cnp n ASP 65 Cb 0.30 -3.35 -0.11 0.00 -0.02 0.00 0.00 41.12 37.94 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 -6.46 0.44 0.44 -1.24 -1.52 -1.26 -5.16 119.66 104.89 2cnp s GLN 66 Ca 0.14 -0.78 -0.16 0.00 -1.95 0.00 0.00 55.36 52.61 2cnp s GLN 66 Cb -0.07 0.01 -0.08 0.00 -0.22 0.00 0.00 33.01 32.64 2cnp s GLN 66 CO 0.87 -0.03 0.89 -1.21 -0.25 0.00 0.00 175.29 175.56 2cnp s GLU 67 N -1.98 3.99 -0.03 2.91 2.02 -1.26 -4.65 118.70 119.70 2cnp s GLU 67 Ca -0.10 0.84 -0.02 0.00 0.02 0.00 0.00 54.97 55.72 2cnp s GLU 67 Cb -0.07 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2cnp s GLU 67 CO -0.02 -0.09 0.10 0.14 0.02 0.00 0.00 175.26 175.41 2cnp s VAL 68 N -2.36 4.95 0.66 2.63 -7.23 0.53 -4.92 120.40 114.65 2cnp s VAL 68 Ca 0.57 -0.25 -0.06 0.00 -1.81 0.00 0.00 61.98 60.43 2cnp s VAL 68 Cb -0.10 -3.24 0.04 0.00 0.56 0.00 0.00 36.38 33.64 2cnp s VAL 68 CO 0.25 0.41 0.96 0.54 -0.31 0.00 0.00 175.10 176.94 2cnp s ASN 69 N -1.60 5.09 0.10 4.85 2.20 -1.26 -1.28 114.94 123.03 2cnp s ASN 69 Ca 0.22 0.50 -0.19 0.00 -0.94 0.00 0.00 52.86 52.44 2cnp s ASN 69 Cb -0.12 -1.27 -0.04 0.00 -2.00 0.00 0.00 41.25 37.82 2cnp s ASN 69 CO 0.12 -1.40 1.06 0.33 -2.94 0.00 0.00 177.10 174.27 2cnp n PHE 70 N -2.77 -0.28 0.14 1.54 7.35 -0.18 -0.80 117.46 122.46 2cnp n PHE 70 Ca 0.07 0.78 0.04 0.00 -0.76 0.00 0.00 57.45 57.58 2cnp n PHE 70 Cb 0.60 -0.53 0.44 0.00 0.35 0.00 0.00 39.48 40.34 2cnp n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2cnp h GLN 71 N 0.00 0.20 -0.30 -4.13 5.75 -1.95 0.18 115.11 114.87 2cnp h GLN 71 Ca 0.10 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 2cnp h GLN 71 Cb 0.26 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 2cnp h GLN 71 CO -0.59 0.30 -0.28 0.93 -2.65 0.00 0.00 178.83 176.53 2cnp h GLU 72 N 0.19 0.72 -0.15 1.69 5.08 -1.34 0.29 114.58 121.07 2cnp h GLU 72 Ca 0.04 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2cnp h GLU 72 Cb 0.27 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2cnp h GLU 72 CO 0.01 0.99 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.97 2cnp h TYR 73 N 0.47 -0.31 -0.99 4.33 3.20 -0.07 0.14 116.97 123.74 2cnp h TYR 73 Ca 0.05 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.03 2cnp h TYR 73 Cb 0.85 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.21 2cnp h TYR 73 CO 0.07 -0.19 0.63 0.82 -1.64 0.00 0.00 178.16 177.85 2cnp h ILE 74 N -0.14 1.02 -0.65 1.81 1.08 -0.50 -0.86 117.51 119.27 2cnp h ILE 74 Ca 0.10 -0.37 -0.07 0.00 -0.39 0.00 0.00 64.86 64.13 2cnp h ILE 74 Cb 0.28 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.84 2cnp h ILE 74 CO -0.23 0.20 0.13 0.74 -0.69 0.00 0.00 178.15 178.30 2cnp h THR 75 N 1.08 1.25 0.02 -0.27 2.02 0.39 0.33 112.91 117.73 2cnp h THR 75 Ca 0.45 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.69 2cnp h THR 75 Cb 0.29 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2cnp h THR 75 CO -0.21 0.36 -0.22 0.15 0.37 0.00 0.00 175.52 175.97 2cnp h PHE 76 N 0.98 -0.59 -0.80 3.16 3.57 0.54 0.17 116.94 123.97 2cnp h PHE 76 Ca 0.20 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.74 2cnp h PHE 76 Cb 0.38 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 2cnp h PHE 76 CO 0.03 -0.31 0.52 -0.07 -2.23 0.00 0.00 178.31 176.24 2cnp h LEU 77 N -0.36 0.87 -0.36 0.59 3.38 -0.85 -0.41 115.31 118.17 2cnp h LEU 77 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2cnp h LEU 77 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2cnp h LEU 77 CO -0.19 0.61 0.17 1.23 0.09 0.00 0.00 178.44 180.35 2cnp h GLY 78 N 1.03 0.55 0.91 0.83 0.00 0.10 0.90 103.07 107.37 2cnp h GLY 78 Ca 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2cnp h GLY 78 CO -0.10 0.26 0.02 0.00 0.00 0.00 0.00 176.54 176.72 2cnp h ALA 79 N 1.02 0.45 -0.03 3.60 0.00 -0.46 0.79 119.26 124.64 2cnp h ALA 79 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2cnp h ALA 79 Cb 0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2cnp h ALA 79 CO -0.02 0.19 -0.42 1.25 0.00 0.00 0.00 179.25 180.26 2cnp h LEU 80 N 0.40 -1.28 -0.29 0.00 5.85 -0.85 0.66 115.31 119.81 2cnp h LEU 80 Ca 0.10 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.04 2cnp h LEU 80 Cb 0.42 0.50 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 2cnp h LEU 80 CO 0.01 -0.45 -0.39 0.00 -0.34 0.00 0.00 178.44 177.27 2cnp h ALA 81 N 0.00 -0.42 -0.10 1.25 0.00 -0.69 -1.48 119.26 117.82 2cnp h ALA 81 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2cnp h ALA 81 Cb 0.64 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2cnp h ALA 81 CO -0.33 -0.85 -0.29 1.98 0.00 0.00 0.00 179.25 179.76 2cnp h MET 82 N -0.37 -0.36 -0.33 0.00 1.85 -0.44 0.22 114.93 115.49 2cnp h MET 82 Ca 0.12 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.21 2cnp h MET 82 Cb 0.58 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 2cnp h MET 82 CO -0.49 -0.24 0.12 0.82 -0.40 0.00 0.00 176.91 176.73 2cnp h ILE 83 N -0.38 1.19 0.02 1.77 2.04 -0.36 -3.17 117.51 118.62 2cnp h ILE 83 Ca 0.09 -0.60 -0.24 0.00 1.00 0.00 0.00 64.86 65.11 2cnp h ILE 83 Cb 0.51 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2cnp h ILE 83 CO -0.32 0.21 -1.25 0.10 0.00 0.00 0.00 178.15 176.89 2cnp h TYR 84 N 0.39 0.08 -0.17 1.37 -0.00 -1.21 -3.36 116.97 114.07 2cnp h TYR 84 Ca 0.11 -0.06 -0.70 0.00 0.00 0.00 0.00 58.73 58.08 2cnp h TYR 84 Cb 0.21 -0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.89 2cnp h TYR 84 CO -0.00 1.06 2.94 0.09 -0.00 0.00 0.00 178.16 182.25 2cnp n ASN 85 N -3.29 4.05 -3.98 0.10 3.02 0.77 -4.85 115.26 111.07 2cnp n ASN 85 Ca -0.07 -2.85 -0.35 0.00 -0.03 0.00 0.00 54.58 51.29 2cnp n ASN 85 Cb 0.98 -1.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.40 2cnp n ASN 85 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2cnp n GLU 86 N 6.56 0.78 0.00 3.52 2.13 -1.26 -1.05 120.64 131.33 2cnp n GLU 86 Ca 0.51 -1.69 0.00 0.00 0.66 0.00 0.00 57.16 56.64 2cnp n GLU 86 Cb 0.40 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 28.94 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cnp n ALA 87 N 12.01 0.00 -0.25 4.31 0.00 -1.26 -4.87 120.51 130.44 2cnp n ALA 87 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 2cnp n ALA 87 Cb 0.44 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 0.72 -6.81 0.00 3.38 -1.38 -3.03 115.31 108.19 2cnp h LEU 88 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2cnp h LEU 88 Cb 0.00 -0.15 0.06 0.00 0.09 0.00 0.00 40.66 40.66 2cnp h LEU 88 CO 0.00 0.50 1.87 0.29 0.09 0.00 0.00 178.44 181.18 2cnp n LYS 89 N -4.67 1.09 0.00 1.13 5.02 -1.25 -5.13 118.16 114.36 2cnp n LYS 89 Ca 0.08 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2cnp n LYS 89 Cb 0.09 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.17 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29