#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 2.96 -0.72 3.17 0.00 -1.26 -4.95 120.51 119.71 2cnp n ALA 2 Ca 0.00 -3.39 -0.32 0.00 0.00 0.00 0.00 53.44 49.73 2cnp n ALA 2 Cb 0.00 -3.55 0.15 0.00 0.00 0.00 0.00 19.45 16.05 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 10.57 -1.95 -0.18 0.00 7.64 -1.26 -4.52 113.62 123.91 2cnp n SER 3 Ca 0.48 0.15 -0.00 0.00 1.01 0.00 0.00 58.87 60.51 2cnp n SER 3 Cb 0.44 -1.15 0.09 0.00 -1.01 0.00 0.00 64.21 62.58 2cnp n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2cnp h PRO 4 N -1.84 0.20 -0.04 1.43 0.13 -1.99 0.69 132.00 130.58 2cnp h PRO 4 Ca -0.48 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2cnp h PRO 4 Cb 1.31 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2cnp h PRO 4 CO 0.37 0.13 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.16 2cnp h LEU 5 N 0.20 -0.12 -0.39 1.56 3.38 -1.99 0.31 115.31 118.26 2cnp h LEU 5 Ca 0.29 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.36 2cnp h LEU 5 Cb 0.44 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2cnp h LEU 5 CO -0.41 -0.06 0.01 -0.78 0.09 0.00 0.00 178.44 177.28 2cnp h ASP 6 N -0.05 -0.14 0.11 -0.43 3.58 -1.56 0.20 116.42 118.13 2cnp h ASP 6 Ca 0.03 0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2cnp h ASP 6 Cb 0.10 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 2cnp h ASP 6 CO -0.07 -0.04 -0.15 -0.61 -2.88 0.00 0.00 179.24 175.50 2cnp h GLN 7 N 0.11 -0.29 -0.37 0.28 4.15 -0.72 0.13 115.11 118.41 2cnp h GLN 7 Ca 0.19 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 2cnp h GLN 7 Cb 0.27 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2cnp h GLN 7 CO -0.31 -0.19 0.05 0.00 -1.93 0.00 0.00 178.83 176.45 2cnp h ALA 8 N 0.55 0.49 -0.15 3.38 0.00 -0.30 0.17 119.26 123.39 2cnp h ALA 8 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.75 2cnp h ALA 8 Cb 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2cnp h ALA 8 CO -0.06 0.20 -0.14 0.82 0.00 0.00 0.00 179.25 180.07 2cnp h ILE 9 N 0.45 0.61 -0.70 0.00 2.04 -0.61 -0.76 117.51 118.54 2cnp h ILE 9 Ca 0.11 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.11 2cnp h ILE 9 Cb 0.37 0.61 -0.13 0.00 -0.74 0.00 0.00 36.82 36.93 2cnp h ILE 9 CO 0.01 0.00 -0.14 1.23 0.00 0.00 0.00 178.15 179.24 2cnp h GLY 10 N -0.16 0.55 0.57 5.37 0.00 -0.02 0.12 103.07 109.50 2cnp h GLY 10 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2cnp h GLY 10 CO -0.25 -0.27 -0.36 1.41 0.00 0.00 0.00 176.54 177.07 2cnp h LEU 11 N 0.02 -0.99 -0.70 3.11 3.38 0.01 0.17 115.31 120.30 2cnp h LEU 11 Ca 0.34 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.44 2cnp h LEU 11 Cb 0.54 0.34 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2cnp h LEU 11 CO -0.70 -0.49 0.43 -0.07 0.09 0.00 0.00 178.44 177.69 2cnp h LEU 12 N -0.72 0.68 0.40 1.67 4.07 -0.04 0.14 115.31 121.51 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 0.66 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 2cnp h LEU 12 CO -0.09 0.46 -0.31 0.40 -1.08 0.00 0.00 178.44 177.82 2cnp h ILE 13 N 0.82 0.36 -0.34 1.22 2.04 -0.71 -0.72 117.51 120.18 2cnp h ILE 13 Ca 0.29 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 2cnp h ILE 13 Cb 0.08 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2cnp h ILE 13 CO -0.13 0.00 0.06 1.23 0.00 0.00 0.00 178.15 179.31 2cnp h GLY 14 N -0.70 0.39 0.35 5.37 0.00 -0.11 0.98 103.07 109.35 2cnp h GLY 14 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.36 2cnp h GLY 14 CO -0.01 -0.03 0.02 -2.22 0.00 0.00 0.00 176.54 174.31 2cnp h ILE 15 N 0.18 0.70 0.65 2.60 1.08 -0.71 0.16 117.51 122.16 2cnp h ILE 15 Ca 0.16 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.56 2cnp h ILE 15 Cb 0.18 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2cnp h ILE 15 CO -0.22 0.02 -0.50 0.15 -0.69 0.00 0.00 178.15 176.92 2cnp h PHE 16 N 0.13 -1.36 -0.97 1.37 3.57 0.18 -2.95 116.94 116.91 2cnp h PHE 16 Ca 0.21 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.88 2cnp h PHE 16 Cb 0.29 0.51 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 2cnp h PHE 16 CO -0.26 -0.71 0.61 1.25 -2.23 0.00 0.00 178.31 176.97 2cnp h HIS 17 N -1.11 0.92 -0.32 0.41 2.76 -0.50 0.19 115.15 117.49 2cnp h HIS 17 Ca -0.08 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.21 2cnp h HIS 17 Cb 0.93 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2cnp h HIS 17 CO -0.18 0.26 0.25 -0.22 -1.30 0.00 0.00 177.93 176.73 2cnp h LYS 18 N 0.70 0.00 0.00 5.26 3.64 -0.52 0.15 116.57 125.80 2cnp h LYS 18 Ca 0.52 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.72 2cnp h LYS 18 Cb 0.89 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2cnp h LYS 18 CO -0.29 0.00 -1.68 0.66 -2.27 0.00 0.00 179.45 175.87 2cnp n TYR 19 N -4.33 0.00 0.01 1.91 4.02 -0.02 -4.76 117.16 113.99 2cnp n TYR 19 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 2cnp n TYR 19 Cb 0.42 -0.46 -0.14 0.00 -0.02 0.00 0.00 39.34 39.14 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 -0.01 0.32 0.00 7.72 4.64 -0.75 -3.40 113.55 122.06 2cnp h SER 20 Ca -0.27 -0.97 -0.67 0.00 -0.47 0.00 0.00 61.79 59.42 2cnp h SER 20 Cb 1.41 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 63.42 2cnp h SER 20 CO -0.04 1.26 3.69 0.61 -0.87 0.00 0.00 176.83 181.48 2cnp n GLY 21 N 1.65 4.23 0.29 -0.77 0.00 0.52 -3.98 105.19 107.13 2cnp n GLY 21 Ca -0.13 -1.49 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 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 4.06 0.47 -3.85 1.61 4.76 -1.26 -4.80 118.16 119.15 2cnp n LYS 22 Ca 0.73 0.20 -0.02 0.00 -2.87 0.00 0.00 58.31 56.35 2cnp n LYS 22 Cb 0.26 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.50 1.14 3.70 1.97 -1.05 -1.26 -5.13 118.70 115.57 2cnp s GLU 23 Ca -0.29 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2cnp s GLU 23 Cb 0.10 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2cnp s GLU 23 CO 0.39 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.47 2cnp n GLY 24 N -0.66 0.55 2.72 -3.83 0.00 -1.26 -4.16 105.19 98.54 2cnp n GLY 24 Ca -0.03 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2cnp n ASP 25 N -1.11 4.28 0.00 1.61 2.03 -1.26 -4.74 116.55 117.35 2cnp n ASP 25 Ca 0.00 -2.79 0.01 0.00 0.52 0.00 0.00 54.79 52.53 2cnp n ASP 25 Cb 0.00 -1.59 0.05 0.00 -0.72 0.00 0.00 41.12 38.86 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 5.89 0.01 0.00 -0.67 2.85 -1.26 -0.39 118.16 124.59 2cnp n LYS 26 Ca 0.55 0.37 0.12 0.00 -1.05 0.00 0.00 58.31 58.29 2cnp n LYS 26 Cb 0.37 -1.50 0.60 0.00 -0.65 0.00 0.00 35.03 33.85 2cnp n LYS 26 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2cnp n HIS 27 N -1.39 0.00 -4.24 5.58 -0.00 -1.26 -4.44 115.22 109.47 2cnp n HIS 27 Ca 0.01 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2cnp n HIS 27 Cb 0.02 -0.30 -0.10 0.00 -0.12 0.00 0.00 29.99 29.49 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 -2.59 0.59 0.23 3.57 -4.23 0.47 -0.75 115.64 112.93 2cnp s THR 28 Ca 0.22 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.54 2cnp s THR 28 Cb 0.16 -2.17 0.04 0.00 1.34 0.00 0.00 72.50 71.87 2cnp s THR 28 CO 0.37 -0.42 0.71 -1.48 -0.54 0.00 0.00 174.62 173.26 2cnp s LEU 29 N -3.17 -0.34 0.00 4.79 0.05 -0.16 -4.73 118.68 115.11 2cnp s LEU 29 Ca 0.25 -0.42 0.00 0.00 0.05 0.00 0.00 54.13 54.02 2cnp s LEU 29 Cb 0.06 2.63 0.00 0.00 -2.05 0.00 0.00 46.19 46.83 2cnp s LEU 29 CO 0.05 -1.19 0.00 -0.24 -0.55 0.00 0.00 176.35 174.41 2cnp n SER 30 N -0.43 1.89 -0.18 1.48 2.88 -1.26 0.17 113.62 118.16 2cnp n SER 30 Ca -0.08 -0.99 -0.08 0.00 -1.33 0.00 0.00 58.87 56.40 2cnp n SER 30 Cb 0.61 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 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 -0.23 -0.03 -1.46 2.10 -1.90 -0.29 116.57 114.76 2cnp h LYS 31 Ca 0.00 0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.69 2cnp h LYS 31 Cb 0.00 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 2cnp h LYS 31 CO 0.00 -0.15 -0.13 -0.22 -2.00 0.00 0.00 179.45 176.95 2cnp h LYS 32 N -0.24 -0.20 -0.86 0.07 1.63 -1.98 0.56 116.57 115.55 2cnp h LYS 32 Ca 0.18 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.04 2cnp h LYS 32 Cb 0.56 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 2cnp h LYS 32 CO -0.65 -0.13 0.55 0.93 -3.45 0.00 0.00 179.45 176.70 2cnp h GLU 33 N -0.20 1.00 -0.08 1.90 3.07 -1.73 0.80 114.58 119.33 2cnp h GLU 33 Ca 0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2cnp h GLU 33 Cb 0.28 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2cnp h GLU 33 CO -0.15 0.66 0.01 -0.07 -1.40 0.00 0.00 179.01 178.06 2cnp h LEU 34 N 1.03 0.13 -0.44 1.33 3.38 -0.43 0.28 115.31 120.59 2cnp h LEU 34 Ca 0.36 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2cnp h LEU 34 Cb 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2cnp h LEU 34 CO -0.14 0.39 0.24 0.11 0.09 0.00 0.00 178.44 179.12 2cnp h LYS 35 N -0.12 0.47 -0.16 1.13 1.57 -0.61 -1.28 116.57 117.56 2cnp h LYS 35 Ca 0.02 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2cnp h LYS 35 Cb 0.31 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2cnp h LYS 35 CO 0.00 0.31 0.02 0.93 -0.57 0.00 0.00 179.45 180.14 2cnp h GLU 36 N 0.48 0.08 -0.49 3.15 5.08 -0.76 0.38 114.58 122.50 2cnp h GLU 36 Ca 0.18 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.64 2cnp h GLU 36 Cb 0.06 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 2cnp h GLU 36 CO -0.11 0.05 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.65 2cnp h LEU 37 N 0.08 -0.83 0.50 1.33 3.38 0.13 0.28 115.31 120.18 2cnp h LEU 37 Ca 0.07 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 2cnp h LEU 37 Cb 0.07 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2cnp h LEU 37 CO -0.10 -0.26 -0.37 0.40 0.09 0.00 0.00 178.44 178.19 2cnp h ILE 38 N -0.13 0.00 -0.69 1.22 2.04 -0.97 0.59 117.51 119.58 2cnp h ILE 38 Ca 0.23 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.23 2cnp h ILE 38 Cb 0.49 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 2cnp h ILE 38 CO -0.57 0.00 0.10 -0.61 0.00 0.00 0.00 178.15 177.07 2cnp h GLN 39 N -0.84 0.20 0.00 2.37 4.15 -0.02 0.22 115.11 121.19 2cnp h GLN 39 Ca -0.07 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2cnp h GLN 39 Cb 0.69 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 2cnp h GLN 39 CO 0.02 0.13 -0.09 0.87 -1.93 0.00 0.00 178.83 177.83 2cnp h LYS 40 N 0.21 0.00 0.00 1.69 1.79 -0.49 -3.40 116.57 116.36 2cnp h LYS 40 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2cnp h LYS 40 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2cnp h LYS 40 CO -0.52 0.61 -1.11 0.39 -1.08 0.00 0.00 179.45 177.74 2cnp n GLU 41 N -4.66 0.29 -3.88 3.15 -0.58 0.20 -4.44 120.64 110.72 2cnp n GLU 41 Ca -0.08 -0.02 -0.28 0.00 -0.42 0.00 0.00 57.16 56.36 2cnp n GLU 41 Cb 0.31 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.49 2cnp n GLU 41 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2cnp s LEU 42 N -3.88 4.59 0.00 -4.62 1.43 0.76 -4.99 118.68 111.98 2cnp s LEU 42 Ca 0.03 -3.73 -0.04 0.00 -1.03 0.00 0.00 54.13 49.35 2cnp s LEU 42 Cb 0.14 -1.57 -0.20 0.00 0.03 0.00 0.00 46.19 44.59 2cnp s LEU 42 CO 0.82 -0.10 3.19 0.35 0.23 0.00 0.00 176.35 180.84 2cnp n THR 43 N 2.13 2.71 -2.38 5.49 -2.24 -1.26 -4.50 114.28 114.23 2cnp n THR 43 Ca 0.19 -1.24 -0.43 0.00 -2.27 0.00 0.00 64.05 60.30 2cnp n THR 43 Cb 0.35 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 2cnp n THR 43 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2cnp n ILE 44 N 2.27 3.97 -0.19 2.28 5.41 -1.26 -4.73 119.36 127.11 2cnp n ILE 44 Ca 0.32 -4.01 -0.00 0.00 1.00 0.00 0.00 62.75 60.06 2cnp n ILE 44 Cb 0.81 -2.45 0.10 0.00 -0.71 0.00 0.00 39.64 37.38 2cnp n ILE 44 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2cnp h GLY 45 N 10.26 0.72 -6.22 7.39 0.00 -2.00 -2.97 103.07 110.25 2cnp h GLY 45 Ca 0.44 -0.03 -0.59 0.00 0.00 0.00 0.00 47.33 47.15 2cnp h GLY 45 CO 1.56 -0.09 2.39 1.44 0.00 0.00 0.00 176.54 181.84 2cnp n SER 46 N -5.12 3.09 -4.52 0.19 7.64 -1.26 -4.89 113.62 108.76 2cnp n SER 46 Ca 0.08 -2.60 -0.23 0.00 1.01 0.00 0.00 58.87 57.13 2cnp n SER 46 Cb 0.29 -1.12 -0.17 0.00 -1.01 0.00 0.00 64.21 62.21 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 6.31 0.21 -1.75 1.43 4.76 -1.12 -4.80 118.16 123.20 2cnp n LYS 47 Ca 0.48 -0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 55.28 2cnp n LYS 47 Cb 0.34 -1.90 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cnp s LEU 48 N 5.77 3.72 0.00 -0.35 1.43 -1.26 -4.51 118.68 123.47 2cnp s LEU 48 Ca 1.21 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 2cnp s LEU 48 Cb -0.68 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.02 2cnp s LEU 48 CO 0.42 -1.64 0.00 1.67 0.23 0.00 0.00 176.35 177.02 2cnp n GLN 49 N 8.31 0.00 0.00 1.70 7.27 -1.26 -3.35 117.38 130.05 2cnp n GLN 49 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.32 2cnp n GLN 49 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2cnp n ASP 50 N 1.57 0.00 -0.33 1.69 5.75 -1.26 -5.05 116.55 118.92 2cnp n ASP 50 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.71 2cnp n ASP 50 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cnp n ALA 51 N -0.48 -0.43 -0.22 2.12 0.00 -1.21 -0.70 120.51 119.58 2cnp n ALA 51 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 53.44 54.07 2cnp n ALA 51 Cb 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 1.09 0.47 0.00 4.81 -1.89 0.19 114.58 119.25 2cnp h GLU 52 Ca 0.16 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2cnp h GLU 52 Cb 0.36 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2cnp h GLU 52 CO -0.77 1.03 -0.23 0.82 -0.73 0.00 0.00 179.01 179.14 2cnp h ILE 53 N 1.01 0.53 -0.57 2.32 5.03 -1.40 -0.14 117.51 124.28 2cnp h ILE 53 Ca 0.19 -0.10 0.06 0.00 -0.12 0.00 0.00 64.86 64.89 2cnp h ILE 53 Cb 0.51 0.58 -0.05 0.00 -3.03 0.00 0.00 36.82 34.83 2cnp h ILE 53 CO 0.02 0.02 0.28 0.58 -0.68 0.00 0.00 178.15 178.37 2cnp h VAL 54 N -0.69 0.91 0.11 1.67 2.07 -0.67 -0.87 116.25 118.79 2cnp h VAL 54 Ca -0.06 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2cnp h VAL 54 Cb 0.51 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2cnp h VAL 54 CO 0.11 0.10 -0.17 0.11 0.02 0.00 0.00 177.57 177.73 2cnp h LYS 55 N 0.52 -0.32 -0.97 1.57 6.56 -0.45 0.31 116.57 123.79 2cnp h LYS 55 Ca 0.26 0.02 0.11 0.00 -1.06 0.00 0.00 60.65 59.98 2cnp h LYS 55 Cb 0.21 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 31.86 2cnp h LYS 55 CO -0.20 -0.21 0.61 -0.07 -2.06 0.00 0.00 179.45 177.51 2cnp h LEU 56 N -0.33 0.90 0.14 2.94 3.38 -0.29 0.11 115.31 122.15 2cnp h LEU 56 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2cnp h LEU 56 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2cnp h LEU 56 CO -0.08 0.49 -0.06 0.24 0.09 0.00 0.00 178.44 179.11 2cnp h MET 57 N 0.98 -0.18 -0.99 1.13 2.86 -0.84 -3.34 114.93 114.56 2cnp h MET 57 Ca 0.47 0.01 0.39 0.00 -2.06 0.00 0.00 59.70 58.51 2cnp h MET 57 Cb 0.43 0.04 -0.18 0.00 0.06 0.00 0.00 31.60 31.95 2cnp h MET 57 CO -0.25 -0.12 0.43 -3.47 1.06 0.00 0.00 176.91 174.56 2cnp n ASP 58 N -2.75 0.25 -0.34 1.22 2.03 0.11 -0.89 116.55 116.19 2cnp n ASP 58 Ca -0.02 1.64 0.06 0.00 0.52 0.00 0.00 54.79 56.99 2cnp n ASP 58 Cb 0.07 -0.76 0.13 0.00 -0.72 0.00 0.00 41.12 39.84 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 -5.28 -0.33 -0.30 1.67 2.03 0.37 -0.51 116.55 114.20 2cnp n ASP 59 Ca 0.35 1.60 -0.04 0.00 0.52 0.00 0.00 54.79 57.22 2cnp n ASP 59 Cb 1.17 -0.49 0.07 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.97 -0.21 -2.67 8.10 -1.21 0.62 115.31 120.91 2cnp h LEU 60 Ca 0.45 -0.06 -0.14 0.00 0.11 0.00 0.00 57.88 58.24 2cnp h LEU 60 Cb 0.69 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2cnp h LEU 60 CO -0.96 0.75 -0.41 0.44 -4.11 0.00 0.00 178.44 174.15 2cnp h ASP 61 N 1.10 0.72 -0.21 0.17 3.32 -0.98 0.11 116.42 120.65 2cnp h ASP 61 Ca 0.29 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.80 2cnp h ASP 61 Cb -0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2cnp h ASP 61 CO -0.05 1.13 0.10 -0.09 -1.72 0.00 0.00 179.24 178.61 2cnp h ARG 62 N 0.33 0.22 0.04 3.56 2.43 -0.48 -3.33 114.38 117.15 2cnp h ARG 62 Ca 0.01 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2cnp h ARG 62 Cb 1.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2cnp h ARG 62 CO 0.09 0.14 -0.83 -0.91 -1.51 0.00 0.00 179.97 176.96 2cnp h ASN 63 N 0.22 0.14 0.00 -3.80 2.35 -0.86 -3.48 115.58 110.16 2cnp h ASN 63 Ca 0.09 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 2cnp h ASN 63 Cb 0.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2cnp h ASN 63 CO -0.06 1.35 0.00 0.29 -1.65 0.00 0.00 177.43 177.36 2cnp n LYS 64 N -4.34 0.00 -2.79 0.81 5.02 0.37 -0.26 118.16 116.98 2cnp n LYS 64 Ca -0.21 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.06 2cnp n LYS 64 Cb 0.68 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.74 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 4.59 1.40 -4.47 4.39 8.00 -1.26 -4.98 116.55 124.22 2cnp n ASP 65 Ca 0.00 -2.20 -0.26 0.00 0.71 0.00 0.00 54.79 53.04 2cnp n ASP 65 Cb 0.00 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.56 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 -3.46 1.68 -0.07 -1.24 1.11 0.64 -5.13 119.66 113.19 2cnp s GLN 66 Ca 0.26 -1.55 -0.23 0.00 0.01 0.00 0.00 55.36 53.86 2cnp s GLN 66 Cb 0.36 -1.89 -0.04 0.00 -1.01 0.00 0.00 33.01 30.43 2cnp s GLN 66 CO -0.02 0.38 0.67 -1.21 0.01 0.00 0.00 175.29 175.12 2cnp s GLU 67 N -2.96 4.43 0.31 2.91 2.02 -1.26 -4.59 118.70 119.55 2cnp s GLU 67 Ca 0.24 0.83 -0.27 0.00 0.02 0.00 0.00 54.97 55.79 2cnp s GLU 67 Cb -0.07 -3.44 -0.10 0.00 0.10 0.00 0.00 34.13 30.62 2cnp s GLU 67 CO 0.12 0.08 0.95 0.14 0.02 0.00 0.00 175.26 176.58 2cnp s VAL 68 N 0.77 4.13 0.70 2.63 -7.23 0.13 -4.74 120.40 116.78 2cnp s VAL 68 Ca 0.36 1.85 -0.09 0.00 -1.81 0.00 0.00 61.98 62.29 2cnp s VAL 68 Cb -0.17 -4.06 0.04 0.00 0.56 0.00 0.00 36.38 32.75 2cnp s VAL 68 CO 0.17 0.22 1.04 0.54 -0.31 0.00 0.00 175.10 176.77 2cnp s ASN 69 N -1.49 5.04 0.15 4.85 2.20 -1.26 -0.99 114.94 123.43 2cnp s ASN 69 Ca 0.48 0.71 -0.25 0.00 -0.94 0.00 0.00 52.86 52.86 2cnp s ASN 69 Cb -0.21 -1.43 -0.02 0.00 -2.00 0.00 0.00 41.25 37.59 2cnp s ASN 69 CO 0.26 -1.50 1.34 0.33 -2.94 0.00 0.00 177.10 174.59 2cnp n PHE 70 N -2.95 -0.33 0.11 1.54 7.35 0.07 -0.58 117.46 122.67 2cnp n PHE 70 Ca 0.07 1.09 0.02 0.00 -0.76 0.00 0.00 57.45 57.86 2cnp n PHE 70 Cb 0.59 -0.61 0.36 0.00 0.35 0.00 0.00 39.48 40.18 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 0.25 -0.43 -4.13 5.75 -1.94 0.13 115.11 114.73 2cnp h GLN 71 Ca 0.16 -0.06 -0.14 0.00 -0.15 0.00 0.00 58.65 58.46 2cnp h GLN 71 Cb 0.38 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2cnp h GLN 71 CO -0.82 0.42 -0.28 0.93 -2.65 0.00 0.00 178.83 176.42 2cnp h GLU 72 N 0.24 0.96 -0.03 1.69 4.39 -1.21 0.37 114.58 120.98 2cnp h GLU 72 Ca 0.05 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.32 2cnp h GLU 72 Cb 0.43 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2cnp h GLU 72 CO 0.03 1.11 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.93 2cnp h TYR 73 N 0.79 -0.35 -0.72 4.33 3.20 -0.06 0.24 116.97 124.40 2cnp h TYR 73 Ca 0.09 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 2cnp h TYR 73 Cb 0.87 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 2cnp h TYR 73 CO 0.06 -0.20 0.48 0.82 -1.64 0.00 0.00 178.16 177.67 2cnp h ILE 74 N -0.21 0.97 -0.12 1.81 1.08 -0.50 -0.57 117.51 119.96 2cnp h ILE 74 Ca 0.06 -0.23 -0.16 0.00 -0.39 0.00 0.00 64.86 64.14 2cnp h ILE 74 Cb 0.29 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2cnp h ILE 74 CO -0.16 0.12 -0.59 0.74 -0.69 0.00 0.00 178.15 177.58 2cnp h THR 75 N 0.67 1.35 0.12 -0.27 2.02 0.55 0.42 112.91 117.78 2cnp h THR 75 Ca 0.33 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.61 2cnp h THR 75 Cb 0.39 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2cnp h THR 75 CO -0.11 0.57 -0.11 0.15 0.37 0.00 0.00 175.52 176.39 2cnp h PHE 76 N 0.30 -0.28 -0.92 3.16 3.57 0.79 0.24 116.94 123.80 2cnp h PHE 76 Ca -0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2cnp h PHE 76 Cb 1.11 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 2cnp h PHE 76 CO 0.03 -0.17 0.61 -0.07 -2.23 0.00 0.00 178.31 176.48 2cnp h LEU 77 N -0.25 1.05 -0.29 0.59 3.38 -1.05 -0.86 115.31 117.89 2cnp h LEU 77 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2cnp h LEU 77 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2cnp h LEU 77 CO -0.02 0.76 0.18 1.23 0.09 0.00 0.00 178.44 180.68 2cnp h GLY 78 N 1.24 0.40 0.96 0.83 0.00 0.26 0.83 103.07 107.59 2cnp h GLY 78 Ca 0.34 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2cnp h GLY 78 CO -0.07 0.13 0.09 0.00 0.00 0.00 0.00 176.54 176.69 2cnp h ALA 79 N 1.11 0.20 0.11 3.60 0.00 -0.30 0.11 119.26 124.11 2cnp h ALA 79 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2cnp h ALA 79 Cb -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2cnp h ALA 79 CO -0.04 -0.28 -0.52 1.25 0.00 0.00 0.00 179.25 179.66 2cnp h LEU 80 N 0.18 -1.57 -0.31 0.00 5.85 -0.77 0.19 115.31 118.88 2cnp h LEU 80 Ca 0.06 0.17 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2cnp h LEU 80 Cb 0.04 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 2cnp h LEU 80 CO -0.01 -0.55 -0.34 0.00 -0.34 0.00 0.00 178.44 177.21 2cnp h ALA 81 N -0.56 -0.27 -0.18 1.25 0.00 -0.75 -1.57 119.26 117.17 2cnp h ALA 81 Ca -0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2cnp h ALA 81 Cb 0.74 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2cnp h ALA 81 CO -0.29 -0.77 -0.32 1.98 0.00 0.00 0.00 179.25 179.86 2cnp h MET 82 N -0.31 0.37 0.54 0.00 1.85 -0.48 0.18 114.93 117.08 2cnp h MET 82 Ca 0.14 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2cnp h MET 82 Cb 0.55 -0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.57 2cnp h MET 82 CO -0.48 0.65 -0.26 0.82 -0.40 0.00 0.00 176.91 177.24 2cnp h ILE 83 N 0.32 0.21 -0.29 1.77 2.04 -0.18 -3.24 117.51 118.13 2cnp h ILE 83 Ca 0.04 -0.45 -0.17 0.00 1.00 0.00 0.00 64.86 65.27 2cnp h ILE 83 Cb 0.72 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2cnp h ILE 83 CO 0.06 0.04 -0.50 0.10 0.00 0.00 0.00 178.15 177.84 2cnp h TYR 84 N -1.10 1.00 -0.28 1.37 -0.00 -1.24 -2.88 116.97 113.83 2cnp h TYR 84 Ca -0.07 -0.34 -0.70 0.00 0.00 0.00 0.00 58.73 57.61 2cnp h TYR 84 Cb 0.61 -0.20 -0.04 0.00 0.00 0.00 0.00 36.73 37.11 2cnp h TYR 84 CO 0.01 1.14 3.19 0.09 -0.00 0.00 0.00 178.16 182.59 2cnp n ASN 85 N -4.01 6.20 -0.37 0.10 3.02 0.62 -4.78 115.26 116.04 2cnp n ASN 85 Ca -0.03 -2.81 0.33 0.00 -0.03 0.00 0.00 54.58 52.04 2cnp n ASN 85 Cb 0.60 -1.57 0.68 0.00 -0.61 0.00 0.00 39.78 38.87 2cnp n ASN 85 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2cnp h GLU 86 N 5.47 0.12 -0.70 3.52 4.11 -1.53 0.73 114.58 126.31 2cnp h GLU 86 Ca 0.67 -0.01 0.12 0.00 0.07 0.00 0.00 59.36 60.22 2cnp h GLU 86 Cb 0.48 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 2cnp h GLU 86 CO 1.78 0.08 -0.23 0.00 0.07 0.00 0.00 179.01 180.71 2cnp n ALA 87 N -2.67 0.03 0.23 1.06 0.00 -1.26 -0.74 120.51 117.16 2cnp n ALA 87 Ca 0.28 0.73 0.14 0.00 0.00 0.00 0.00 53.44 54.59 2cnp n ALA 87 Cb 1.23 -0.38 0.72 0.00 0.00 0.00 0.00 19.45 21.01 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 0.00 -2.13 0.00 3.38 -1.08 -0.02 115.31 115.46 2cnp h LEU 88 Ca 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2cnp h LEU 88 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2cnp h LEU 88 CO -0.70 0.00 -0.03 0.11 0.09 0.00 0.00 178.44 177.91 2cnp h LYS 89 N 0.00 0.00 0.00 1.13 1.57 -1.13 -3.50 116.57 114.64 2cnp h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cnp h LYS 89 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2cnp h LYS 89 CO 0.00 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.32