#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 2.55 -1.12 -5.12 0.00 -1.26 -4.94 120.51 110.62 2cnp n ALA 2 Ca 0.00 -3.29 -0.36 0.00 0.00 0.00 0.00 53.44 49.79 2cnp n ALA 2 Cb 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 19.45 15.97 2cnp n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2cnp n SER 3 N 11.85 -3.52 -0.34 0.00 2.88 -1.26 -4.50 113.62 118.73 2cnp n SER 3 Ca 0.47 0.44 0.16 0.00 -1.33 0.00 0.00 58.87 58.61 2cnp n SER 3 Cb 0.45 -0.97 0.39 0.00 -0.75 0.00 0.00 64.21 63.33 2cnp n SER 3 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2cnp h PRO 4 N -0.63 0.61 0.38 -1.46 0.13 -1.98 0.22 132.00 129.27 2cnp h PRO 4 Ca -0.44 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2cnp h PRO 4 Cb 1.35 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2cnp h PRO 4 CO 0.35 0.40 -0.18 -0.07 -0.23 0.00 0.00 178.00 178.27 2cnp h LEU 5 N 0.63 -0.43 -1.11 1.56 3.38 -1.99 0.15 115.31 117.49 2cnp h LEU 5 Ca 0.59 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.58 2cnp h LEU 5 Cb 1.11 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 2cnp h LEU 5 CO -0.37 -0.26 0.60 -0.78 0.09 0.00 0.00 178.44 177.72 2cnp h ASP 6 N -0.58 0.98 0.19 -0.43 3.58 -1.40 0.20 116.42 118.96 2cnp h ASP 6 Ca -0.05 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2cnp h ASP 6 Cb 0.43 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2cnp h ASP 6 CO 0.09 0.66 -0.09 -0.61 -2.88 0.00 0.00 179.24 176.40 2cnp h GLN 7 N 1.13 -0.24 -0.36 0.28 4.15 -0.57 0.23 115.11 119.71 2cnp h GLN 7 Ca 0.37 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.79 2cnp h GLN 7 Cb 0.07 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2cnp h GLN 7 CO -0.12 -0.01 0.14 0.00 -1.93 0.00 0.00 178.83 176.91 2cnp h ALA 8 N 0.32 0.47 -0.20 3.38 0.00 -0.37 0.21 119.26 123.07 2cnp h ALA 8 Ca -0.03 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2cnp h ALA 8 Cb 0.35 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2cnp h ALA 8 CO 0.04 0.08 -0.21 0.82 0.00 0.00 0.00 179.25 179.99 2cnp h ILE 9 N 0.44 0.47 -0.76 0.00 2.04 -0.66 -1.19 117.51 117.84 2cnp h ILE 9 Ca 0.12 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.16 2cnp h ILE 9 Cb 0.20 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 2cnp h ILE 9 CO -0.01 0.00 0.02 1.23 0.00 0.00 0.00 178.15 179.39 2cnp h GLY 10 N -0.23 0.87 0.70 5.37 0.00 0.40 0.19 103.07 110.38 2cnp h GLY 10 Ca 0.12 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2cnp h GLY 10 CO -0.33 -0.29 -0.29 1.41 0.00 0.00 0.00 176.54 177.04 2cnp h LEU 11 N 0.11 -0.77 -0.74 3.11 3.38 0.16 0.20 115.31 120.77 2cnp h LEU 11 Ca 0.42 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.48 2cnp h LEU 11 Cb 0.74 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2cnp h LEU 11 CO -0.66 -0.42 0.48 -0.07 0.09 0.00 0.00 178.44 177.86 2cnp h LEU 12 N -0.61 0.81 0.35 1.67 4.07 -0.01 0.62 115.31 122.21 2cnp h LEU 12 Ca -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 2cnp h LEU 12 Cb 0.56 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2cnp h LEU 12 CO -0.05 0.57 -0.36 0.40 -1.08 0.00 0.00 178.44 177.92 2cnp h ILE 13 N 0.95 0.25 -0.39 1.22 2.04 -0.58 -1.05 117.51 119.96 2cnp h ILE 13 Ca 0.28 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.21 2cnp h ILE 13 Cb -0.05 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 2cnp h ILE 13 CO -0.08 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.33 2cnp h GLY 14 N -0.74 0.41 0.48 5.37 0.00 -0.04 0.19 103.07 108.74 2cnp h GLY 14 Ca -0.02 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2cnp h GLY 14 CO -0.07 -0.07 0.17 -2.22 0.00 0.00 0.00 176.54 174.35 2cnp h ILE 15 N 0.14 0.80 0.21 2.60 1.08 -0.84 0.17 117.51 121.68 2cnp h ILE 15 Ca 0.19 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2cnp h ILE 15 Cb 0.25 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 2cnp h ILE 15 CO -0.29 0.06 -0.19 0.15 -0.69 0.00 0.00 178.15 177.19 2cnp h PHE 16 N 0.34 -0.50 -0.75 1.37 3.57 0.24 -2.98 116.94 118.23 2cnp h PHE 16 Ca 0.25 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.82 2cnp h PHE 16 Cb 0.29 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2cnp h PHE 16 CO -0.17 -0.29 0.49 1.25 -2.23 0.00 0.00 178.31 177.36 2cnp h HIS 17 N -0.42 0.80 -0.61 0.41 2.76 0.01 0.14 115.15 118.23 2cnp h HIS 17 Ca -0.01 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.36 2cnp h HIS 17 Cb 0.39 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2cnp h HIS 17 CO -0.14 0.42 0.49 -0.22 -1.30 0.00 0.00 177.93 177.19 2cnp h LYS 18 N 0.79 0.00 0.00 5.26 3.64 -0.52 -2.55 116.57 123.18 2cnp h LYS 18 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2cnp h LYS 18 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2cnp h LYS 18 CO -0.11 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.73 2cnp n TYR 19 N -4.10 0.00 -0.13 1.91 4.02 -0.39 -4.74 117.16 113.73 2cnp n TYR 19 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.97 2cnp n TYR 19 Cb 0.73 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.08 2cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2cnp h SER 20 N 0.00 -0.16 0.14 7.72 0.02 -0.95 -0.73 113.55 119.59 2cnp h SER 20 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2cnp h SER 20 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2cnp h SER 20 CO 0.00 -0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.25 2cnp n GLY 21 N -1.28 -0.52 0.08 -3.77 0.00 -0.97 -1.19 105.19 97.53 2cnp n GLY 21 Ca 0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2cnp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cnp h LYS 22 N 0.00 0.05 -6.96 1.61 1.79 -1.00 -3.46 116.57 108.59 2cnp h LYS 22 Ca 0.00 -0.08 -0.47 0.00 -2.18 0.00 0.00 60.65 57.92 2cnp h LYS 22 Cb 0.07 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2cnp h LYS 22 CO 0.00 0.80 0.24 -1.83 -1.08 0.00 0.00 179.45 177.58 2cnp s GLU 23 N -2.64 4.01 0.28 3.15 -1.05 -0.33 -4.97 118.70 117.14 2cnp s GLU 23 Ca -0.04 0.83 0.01 0.00 -0.15 0.00 0.00 54.97 55.62 2cnp s GLU 23 Cb 0.08 -2.28 0.54 0.00 -0.44 0.00 0.00 34.13 32.04 2cnp s GLU 23 CO 0.83 -0.04 1.83 0.78 0.95 0.00 0.00 175.26 179.61 2cnp h GLY 24 N 1.63 1.61 -5.25 -3.83 0.00 -1.90 -2.49 103.07 92.84 2cnp h GLY 24 Ca -0.48 -0.41 -0.65 0.00 0.00 0.00 0.00 47.33 45.79 2cnp h GLY 24 CO 0.63 0.15 3.60 2.09 0.00 0.00 0.00 176.54 183.01 2cnp n ASP 25 N -4.64 7.43 -0.07 0.19 5.75 -1.26 -4.77 116.55 119.19 2cnp n ASP 25 Ca 0.19 -2.60 0.24 0.00 -0.01 0.00 0.00 54.79 52.61 2cnp n ASP 25 Cb 0.35 -1.53 0.72 0.00 -1.03 0.00 0.00 41.12 39.63 2cnp n ASP 25 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2cnp h LYS 26 N 5.35 0.00 0.00 0.11 1.57 -1.62 0.38 116.57 122.36 2cnp h LYS 26 Ca 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.56 2cnp h LYS 26 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2cnp h LYS 26 CO 1.78 0.00 0.00 1.58 -0.57 0.00 0.00 179.45 182.24 2cnp n HIS 27 N -4.14 0.78 -4.25 -1.35 -0.00 -1.26 -3.66 115.22 101.34 2cnp n HIS 27 Ca 0.14 0.25 -0.14 0.00 0.46 0.00 0.00 57.72 58.43 2cnp n HIS 27 Cb 0.80 -0.91 -0.10 0.00 -0.12 0.00 0.00 29.99 29.65 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 -3.16 1.16 0.09 3.57 -4.23 0.12 -1.14 115.64 112.05 2cnp s THR 28 Ca 0.09 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2cnp s THR 28 Cb 0.12 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 72.14 2cnp s THR 28 CO 0.51 -0.74 0.19 0.00 -0.54 0.00 0.00 174.62 174.03 2cnp n LEU 29 N -0.18 0.00 0.00 4.79 -0.00 -0.43 -4.73 117.00 116.45 2cnp n LEU 29 Ca -0.10 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 2cnp n LEU 29 Cb 0.61 0.88 0.00 0.00 -0.00 0.00 0.00 43.42 44.91 2cnp n LEU 29 CO 0.32 -0.20 0.00 -0.24 -0.00 0.00 0.00 177.39 177.27 2cnp n SER 30 N -1.10 0.00 -0.31 1.45 2.88 -1.26 -0.27 113.62 115.01 2cnp n SER 30 Ca -0.02 -0.89 -0.05 0.00 -1.33 0.00 0.00 58.87 56.58 2cnp n SER 30 Cb 0.14 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2cnp n SER 30 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2cnp n LYS 31 N 0.00 -0.26 0.11 -1.46 2.85 -1.26 -1.01 118.16 117.14 2cnp n LYS 31 Ca 0.00 1.15 -0.13 0.00 -1.05 0.00 0.00 58.31 58.29 2cnp n LYS 31 Cb 0.00 -1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 32.61 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 -0.29 -0.77 -1.58 3.64 -1.99 -0.24 116.57 115.35 2cnp h LYS 32 Ca 0.19 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2cnp h LYS 32 Cb 0.38 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2cnp h LYS 32 CO -0.73 -0.19 0.31 0.93 -2.27 0.00 0.00 179.45 177.49 2cnp h GLU 33 N -0.30 1.15 0.26 1.90 4.39 -1.51 0.54 114.58 121.01 2cnp h GLU 33 Ca 0.00 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 2cnp h GLU 33 Cb 0.28 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2cnp h GLU 33 CO -0.04 0.93 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.54 2cnp h LEU 34 N 1.11 -0.33 -0.67 1.33 3.38 -0.83 0.20 115.31 119.50 2cnp h LEU 34 Ca 0.26 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2cnp h LEU 34 Cb 0.21 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2cnp h LEU 34 CO -0.02 -0.23 0.44 0.11 0.09 0.00 0.00 178.44 178.84 2cnp h LYS 35 N -0.37 0.88 0.69 1.13 1.57 -0.71 -0.73 116.57 119.03 2cnp h LYS 35 Ca -0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2cnp h LYS 35 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2cnp h LYS 35 CO 0.05 0.58 -0.49 0.93 -0.57 0.00 0.00 179.45 179.95 2cnp h GLU 36 N 0.91 -1.09 -0.93 3.15 5.08 -0.80 -1.14 114.58 119.76 2cnp h GLU 36 Ca 0.25 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.77 2cnp h GLU 36 Cb -0.10 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 2cnp h GLU 36 CO -0.06 -0.73 -0.55 -0.07 -1.00 0.00 0.00 179.01 176.60 2cnp h LEU 37 N -1.13 -2.03 0.15 1.33 3.38 -0.17 0.27 115.31 117.11 2cnp h LEU 37 Ca -0.09 0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2cnp h LEU 37 Cb 0.93 0.90 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2cnp h LEU 37 CO 0.05 -0.22 -0.07 -0.29 0.09 0.00 0.00 178.44 178.00 2cnp h ILE 38 N -0.01 0.88 -0.25 1.22 2.10 -1.13 0.57 117.51 120.89 2cnp h ILE 38 Ca 0.15 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.99 2cnp h ILE 38 Cb 0.39 0.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.05 2cnp h ILE 38 CO -0.88 0.02 0.16 -0.61 -1.08 0.00 0.00 178.15 175.77 2cnp h GLN 39 N -0.25 0.32 0.49 2.19 5.75 -0.25 0.12 115.11 123.48 2cnp h GLN 39 Ca -0.02 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 2cnp h GLN 39 Cb 0.19 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2cnp h GLN 39 CO 0.03 0.21 -0.24 0.87 -2.65 0.00 0.00 178.83 177.06 2cnp h LYS 40 N 0.33 -0.64 0.02 1.69 1.79 -0.46 -3.31 116.57 115.99 2cnp h LYS 40 Ca 0.09 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.51 2cnp h LYS 40 Cb -0.03 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2cnp h LYS 40 CO -0.02 -0.34 -0.51 0.93 -1.08 0.00 0.00 179.45 178.42 2cnp h GLU 41 N -1.06 0.04 -3.27 3.15 4.39 -0.88 -3.30 114.58 113.65 2cnp h GLU 41 Ca -0.07 -0.06 -0.70 0.00 0.34 0.00 0.00 59.36 58.87 2cnp h GLU 41 Cb 0.59 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2cnp h GLU 41 CO 0.11 1.03 3.27 1.28 -1.16 0.00 0.00 179.01 183.54 2cnp n LEU 42 N -4.48 7.94 -2.84 1.33 4.77 0.40 -4.78 117.00 119.33 2cnp n LEU 42 Ca -0.18 -4.41 -0.22 0.00 -0.03 0.00 0.00 56.01 51.18 2cnp n LEU 42 Cb 0.59 -1.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 2cnp n LEU 42 CO 0.31 1.74 2.26 1.07 -1.33 0.00 0.00 177.39 181.44 2cnp n THR 43 N 3.70 2.82 -0.10 -5.08 5.66 -1.25 -4.45 114.28 115.58 2cnp n THR 43 Ca 0.65 -1.61 -0.14 0.00 -3.05 0.00 0.00 64.05 59.91 2cnp n THR 43 Cb 0.29 -2.16 -0.03 0.00 -1.55 0.00 0.00 70.33 66.88 2cnp n THR 43 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2cnp h ILE 44 N 2.92 1.28 0.00 1.09 2.04 -1.87 -3.47 117.51 119.50 2cnp h ILE 44 Ca 0.47 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2cnp h ILE 44 Cb 0.52 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2cnp h ILE 44 CO 1.13 0.51 0.00 0.61 0.00 0.00 0.00 178.15 180.40 2cnp n GLY 45 N 0.20 1.39 3.11 5.37 0.00 -1.26 -4.62 105.19 109.38 2cnp n GLY 45 Ca -0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnp n SER 46 N 3.00 2.88 -4.53 1.61 7.64 -1.26 -4.89 113.62 118.06 2cnp n SER 46 Ca 0.00 -2.72 -0.32 0.00 1.01 0.00 0.00 58.87 56.85 2cnp n SER 46 Cb 0.00 -1.29 -0.09 0.00 -1.01 0.00 0.00 64.21 61.82 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 47 N 7.05 0.56 -1.68 1.43 5.02 -1.26 -4.81 118.16 124.47 2cnp n LYS 47 Ca 0.49 -0.16 -0.45 0.00 -2.02 0.00 0.00 58.31 56.17 2cnp n LYS 47 Cb 0.41 -2.71 -0.04 0.00 -0.02 0.00 0.00 35.03 32.67 2cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2cnp n LEU 48 N 13.89 3.39 0.00 -0.35 4.77 -1.26 -4.60 117.00 132.85 2cnp n LEU 48 Ca 0.50 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 2cnp n LEU 48 Cb 0.34 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2cnp n LEU 48 CO 0.78 -0.13 0.00 1.67 -1.33 0.00 0.00 177.39 178.38 2cnp n GLN 49 N 4.12 0.00 0.00 3.23 0.00 -1.26 -3.70 117.38 119.77 2cnp n GLN 49 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 2cnp n GLN 49 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.55 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2cnp n ASP 50 N 4.91 0.00 -0.20 1.69 5.68 -1.26 -5.00 116.55 122.37 2cnp n ASP 50 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 2cnp n ASP 50 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cnp n ALA 51 N -1.29 -0.30 -0.31 2.12 0.00 -1.24 -0.35 120.51 119.14 2cnp n ALA 51 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 2cnp n ALA 51 Cb 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 1.21 -0.08 0.00 4.81 -1.89 0.13 114.58 118.75 2cnp h GLU 52 Ca 0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2cnp h GLU 52 Cb 0.19 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2cnp h GLU 52 CO -0.44 0.94 -0.02 0.82 -0.73 0.00 0.00 179.01 179.57 2cnp h ILE 53 N 1.19 1.30 -0.65 2.32 5.03 -1.02 -0.47 117.51 125.20 2cnp h ILE 53 Ca 0.28 -0.95 0.08 0.00 -0.12 0.00 0.00 64.86 64.15 2cnp h ILE 53 Cb 0.14 1.76 -0.07 0.00 -3.03 0.00 0.00 36.82 35.63 2cnp h ILE 53 CO -0.03 0.27 0.31 0.58 -0.68 0.00 0.00 178.15 178.60 2cnp h VAL 54 N -0.17 0.86 0.09 1.67 2.07 -0.46 0.83 116.25 121.13 2cnp h VAL 54 Ca 0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2cnp h VAL 54 Cb 0.43 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2cnp h VAL 54 CO 0.01 0.10 -0.16 0.11 0.02 0.00 0.00 177.57 177.65 2cnp h LYS 55 N 0.55 -0.30 -0.87 1.57 6.56 -0.53 0.28 116.57 123.83 2cnp h LYS 55 Ca 0.31 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 60.06 2cnp h LYS 55 Cb 0.31 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 31.95 2cnp h LYS 55 CO -0.25 -0.20 0.47 -0.07 -2.06 0.00 0.00 179.45 177.34 2cnp h LEU 56 N -0.31 0.61 0.49 2.94 3.38 -0.10 0.49 115.31 122.80 2cnp h LEU 56 Ca 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2cnp h LEU 56 Cb 0.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2cnp h LEU 56 CO -0.09 0.28 -0.24 0.24 0.09 0.00 0.00 178.44 178.72 2cnp h MET 57 N 0.70 -0.63 -1.16 1.13 2.86 -0.51 -3.32 114.93 114.00 2cnp h MET 57 Ca 0.46 0.04 0.34 0.00 -2.06 0.00 0.00 59.70 58.48 2cnp h MET 57 Cb 0.59 0.14 -0.11 0.00 0.06 0.00 0.00 31.60 32.29 2cnp h MET 57 CO -0.33 -0.42 0.75 0.22 1.06 0.00 0.00 176.91 178.18 2cnp h ASP 58 N -1.02 0.35 -0.96 1.22 3.58 -0.17 0.87 116.42 120.29 2cnp h ASP 58 Ca -0.07 0.10 0.12 0.00 0.42 0.00 0.00 57.03 57.61 2cnp h ASP 58 Cb 0.50 0.06 -0.14 0.00 1.72 0.00 0.00 39.33 41.48 2cnp h ASP 58 CO 0.11 -0.03 -0.46 -0.67 -2.88 0.00 0.00 179.24 175.31 2cnp n ASP 59 N -4.64 -0.80 0.01 2.28 2.03 0.14 -0.39 116.55 115.17 2cnp n ASP 59 Ca 0.30 1.69 -0.11 0.00 0.52 0.00 0.00 54.79 57.19 2cnp n ASP 59 Cb 1.11 -0.31 -0.05 0.00 -0.72 0.00 0.00 41.12 41.15 2cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cnp h LEU 60 N 0.00 -0.09 0.37 -2.67 4.07 -1.00 0.28 115.31 116.27 2cnp h LEU 60 Ca 0.25 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 2cnp h LEU 60 Cb 0.49 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 2cnp h LEU 60 CO -0.93 -0.03 -0.26 0.44 -1.08 0.00 0.00 178.44 176.58 2cnp h ASP 61 N -0.01 -0.65 -0.25 -0.43 5.19 -1.32 0.20 116.42 119.15 2cnp h ASP 61 Ca 0.04 0.05 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 2cnp h ASP 61 Cb 0.07 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2cnp h ASP 61 CO -0.09 -0.40 -0.30 0.08 -3.12 0.00 0.00 179.24 175.42 2cnp h ARG 62 N -0.61 0.64 0.17 3.56 0.11 -0.60 -3.34 114.38 114.31 2cnp h ARG 62 Ca -0.03 -0.36 -0.01 0.00 0.10 0.00 0.00 59.98 59.68 2cnp h ARG 62 Cb 0.52 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2cnp h ARG 62 CO 0.02 0.96 -0.08 -0.91 0.10 0.00 0.00 179.97 180.06 2cnp h ASN 63 N 0.35 -0.19 0.00 0.08 4.21 -0.95 -3.46 115.58 115.62 2cnp h ASN 63 Ca 0.03 -0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.37 2cnp h ASN 63 Cb 0.87 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 2cnp h ASN 63 CO 0.07 0.34 0.00 2.29 -1.29 0.00 0.00 177.43 178.85 2cnp n LYS 64 N -4.91 0.00 -2.07 0.81 2.85 0.69 0.18 118.16 115.71 2cnp n LYS 64 Ca -0.05 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.21 2cnp n LYS 64 Cb 0.18 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.59 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2cnp n ASP 65 N 0.24 0.42 -4.30 -5.58 8.00 -1.26 -5.03 116.55 109.03 2cnp n ASP 65 Ca 0.00 -2.05 -0.31 0.00 0.71 0.00 0.00 54.79 53.14 2cnp n ASP 65 Cb 0.00 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cnp s GLN 66 N -1.24 2.36 0.29 -1.24 2.00 0.13 -5.13 119.66 116.83 2cnp s GLN 66 Ca 0.22 -0.91 -0.28 0.00 -2.00 0.00 0.00 55.36 52.39 2cnp s GLN 66 Cb 0.31 -2.12 -0.09 0.00 0.80 0.00 0.00 33.01 31.91 2cnp s GLN 66 CO -0.09 0.47 1.00 -1.21 -0.50 0.00 0.00 175.29 174.96 2cnp s GLU 67 N -0.38 4.63 0.16 1.67 8.01 -1.26 -4.57 118.70 126.96 2cnp s GLU 67 Ca 0.03 1.54 0.05 0.00 0.01 0.00 0.00 54.97 56.60 2cnp s GLU 67 Cb -0.12 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 2cnp s GLU 67 CO 0.01 0.28 0.13 0.14 0.01 0.00 0.00 175.26 175.83 2cnp s VAL 68 N -1.35 4.48 0.70 2.63 -7.23 0.62 -4.93 120.40 115.32 2cnp s VAL 68 Ca 0.47 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2cnp s VAL 68 Cb -0.25 -3.28 0.12 0.00 0.56 0.00 0.00 36.38 33.53 2cnp s VAL 68 CO 0.32 -0.09 0.96 0.54 -0.31 0.00 0.00 175.10 176.52 2cnp s ASN 69 N -3.05 4.46 0.07 4.85 4.22 -1.26 -1.32 114.94 122.91 2cnp s ASN 69 Ca 0.31 -0.46 -0.14 0.00 -2.14 0.00 0.00 52.86 50.42 2cnp s ASN 69 Cb -0.10 0.07 -0.03 0.00 1.28 0.00 0.00 41.25 42.46 2cnp s ASN 69 CO 0.23 -1.79 1.25 0.15 -2.04 0.00 0.00 177.10 174.90 2cnp h PHE 70 N -0.41 -0.86 -0.61 1.54 3.57 -1.51 0.18 116.94 118.84 2cnp h PHE 70 Ca -0.35 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 2cnp h PHE 70 Cb 1.27 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 40.41 2cnp h PHE 70 CO -0.10 -0.17 0.33 0.37 -2.23 0.00 0.00 178.31 176.51 2cnp h GLN 71 N -0.02 0.84 -0.17 1.11 5.75 -1.96 0.15 115.11 120.81 2cnp h GLN 71 Ca 0.07 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 2cnp h GLN 71 Cb 0.20 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 2cnp h GLN 71 CO -0.42 0.62 -0.24 0.93 -2.65 0.00 0.00 178.83 177.07 2cnp h GLU 72 N 0.85 0.31 0.18 1.69 4.39 -1.74 0.38 114.58 120.63 2cnp h GLU 72 Ca 0.22 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2cnp h GLU 72 Cb 0.02 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2cnp h GLU 72 CO -0.04 0.54 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.35 2cnp h TYR 73 N 0.28 -0.22 -1.00 4.33 3.20 0.86 -2.66 116.97 121.75 2cnp h TYR 73 Ca 0.04 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.06 2cnp h TYR 73 Cb 0.59 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 2cnp h TYR 73 CO 0.01 -0.07 0.62 0.82 -1.64 0.00 0.00 178.16 177.90 2cnp h ILE 74 N -0.32 0.82 -0.35 1.81 1.08 -0.17 0.14 117.51 120.52 2cnp h ILE 74 Ca -0.02 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2cnp h ILE 74 Cb 0.25 -0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 33.85 2cnp h ILE 74 CO 0.04 0.16 0.23 0.74 -0.69 0.00 0.00 178.15 178.63 2cnp h THR 75 N 0.86 1.03 -0.10 -0.27 2.02 -0.00 0.37 112.91 116.81 2cnp h THR 75 Ca 0.53 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.61 2cnp h THR 75 Cb 0.70 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2cnp h THR 75 CO -0.31 0.07 -0.06 0.15 0.37 0.00 0.00 175.52 175.73 2cnp h PHE 76 N 0.37 -0.15 -0.38 3.16 3.57 -0.38 0.16 116.94 123.29 2cnp h PHE 76 Ca 0.14 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 2cnp h PHE 76 Cb 0.11 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2cnp h PHE 76 CO -0.00 -0.10 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.52 2cnp h LEU 77 N -0.06 0.99 -0.32 0.59 3.38 -0.89 0.07 115.31 119.08 2cnp h LEU 77 Ca 0.06 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 2cnp h LEU 77 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2cnp h LEU 77 CO -0.14 1.26 -0.19 1.23 0.09 0.00 0.00 178.44 180.68 2cnp h GLY 78 N 0.78 0.75 0.92 0.83 0.00 -0.27 0.56 103.07 106.64 2cnp h GLY 78 Ca 0.06 -0.70 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2cnp h GLY 78 CO 0.10 0.63 0.12 0.00 0.00 0.00 0.00 176.54 177.39 2cnp h ALA 79 N 0.75 0.42 -0.06 3.60 0.00 -0.66 0.14 119.26 123.45 2cnp h ALA 79 Ca 0.07 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2cnp h ALA 79 Cb 0.73 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2cnp h ALA 79 CO 0.05 0.03 -0.44 1.25 0.00 0.00 0.00 179.25 180.14 2cnp h LEU 80 N 0.37 -1.36 -0.31 0.00 5.85 -0.83 0.11 115.31 119.13 2cnp h LEU 80 Ca 0.11 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.06 2cnp h LEU 80 Cb 0.20 0.54 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 2cnp h LEU 80 CO -0.01 -0.46 -0.30 0.00 -0.34 0.00 0.00 178.44 177.34 2cnp h ALA 81 N -0.03 -0.19 -0.36 1.25 0.00 -0.73 -1.38 119.26 117.81 2cnp h ALA 81 Ca 0.05 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2cnp h ALA 81 Cb 0.65 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2cnp h ALA 81 CO -0.36 -0.72 0.09 1.98 0.00 0.00 0.00 179.25 180.24 2cnp h MET 82 N -0.27 0.22 0.40 0.00 1.85 -0.20 0.14 114.93 117.07 2cnp h MET 82 Ca 0.15 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.21 2cnp h MET 82 Cb 0.52 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.50 2cnp h MET 82 CO -0.47 0.15 -0.19 0.82 -0.40 0.00 0.00 176.91 176.82 2cnp h ILE 83 N 0.23 0.56 -0.03 1.77 2.04 -0.37 -3.33 117.51 118.39 2cnp h ILE 83 Ca 0.17 -0.44 -0.22 0.00 1.00 0.00 0.00 64.86 65.37 2cnp h ILE 83 Cb 0.17 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2cnp h ILE 83 CO -0.20 0.08 -0.88 0.10 0.00 0.00 0.00 178.15 177.24 2cnp h TYR 84 N -0.81 0.62 -0.49 1.37 -0.00 -1.19 -3.28 116.97 113.19 2cnp h TYR 84 Ca -0.06 -0.32 -0.71 0.00 0.00 0.00 0.00 58.73 57.65 2cnp h TYR 84 Cb 0.54 -0.08 -0.07 0.00 0.00 0.00 0.00 36.73 37.12 2cnp h TYR 84 CO 0.01 1.12 2.68 0.09 -0.00 0.00 0.00 178.16 182.07 2cnp n ASN 85 N -3.78 4.35 -0.19 0.10 3.02 0.48 -4.83 115.26 114.42 2cnp n ASN 85 Ca -0.06 -2.90 0.02 0.00 -0.03 0.00 0.00 54.58 51.61 2cnp n ASN 85 Cb 0.80 -1.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.38 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 6.31 -0.06 -0.27 3.52 -0.58 -1.24 -0.24 120.64 128.09 2cnp n GLU 86 Ca 0.49 0.79 -0.01 0.00 -0.42 0.00 0.00 57.16 58.01 2cnp n GLU 86 Cb 0.40 -1.18 0.02 0.00 -0.57 0.00 0.00 31.44 30.12 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 -3.80 -0.11 0.37 0.62 0.00 -1.26 -0.75 120.51 115.58 2cnp n ALA 87 Ca 0.08 0.70 0.04 0.00 0.00 0.00 0.00 53.44 54.25 2cnp n ALA 87 Cb 0.24 -0.30 0.20 0.00 0.00 0.00 0.00 19.45 19.60 2cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cnp n LEU 88 N -5.03 0.00 0.12 0.00 4.77 0.67 -0.86 117.00 116.67 2cnp n LEU 88 Ca 0.07 0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 2cnp n LEU 88 Cb 0.28 -0.36 0.22 0.00 -2.33 0.00 0.00 43.42 41.23 2cnp n LEU 88 CO -0.10 -0.26 0.60 0.11 -1.33 0.00 0.00 177.39 176.42 2cnp h LYS 89 N 0.00 0.15 0.00 3.23 1.57 -1.10 -3.48 116.57 116.93 2cnp h LYS 89 Ca 0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2cnp h LYS 89 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2cnp h LYS 89 CO 0.00 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 179.88