#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 2.85 -0.94 -5.12 0.00 -1.26 -4.95 120.51 111.09 2cnp n ALA 2 Ca 0.00 -3.35 -0.34 0.00 0.00 0.00 0.00 53.44 49.75 2cnp n ALA 2 Cb 0.00 -3.55 0.10 0.00 0.00 0.00 0.00 19.45 16.01 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 10.86 -1.91 -0.21 0.00 7.64 -1.26 -4.45 113.62 124.30 2cnp n SER 3 Ca 0.47 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2cnp n SER 3 Cb 0.45 -1.20 0.09 0.00 -1.01 0.00 0.00 64.21 62.53 2cnp n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cnp h PRO 4 N -1.20 0.06 -0.52 1.43 0.11 -1.99 0.17 132.00 130.06 2cnp h PRO 4 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2cnp h PRO 4 Cb 1.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 2cnp h PRO 4 CO 0.36 0.04 0.34 -0.07 -0.21 0.00 0.00 178.00 178.46 2cnp h LEU 5 N 0.06 0.59 -0.36 2.35 3.38 -1.99 -0.05 115.31 119.29 2cnp h LEU 5 Ca 0.32 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.29 2cnp h LEU 5 Cb 0.51 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2cnp h LEU 5 CO -0.58 0.43 0.20 -0.78 0.09 0.00 0.00 178.44 177.80 2cnp h ASP 6 N 0.70 0.32 0.10 -0.43 3.58 -1.09 0.19 116.42 119.78 2cnp h ASP 6 Ca 0.19 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.66 2cnp h ASP 6 Cb -0.08 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2cnp h ASP 6 CO -0.04 0.23 -0.14 -0.61 -2.88 0.00 0.00 179.24 175.80 2cnp h GLN 7 N 0.41 -0.28 -0.31 0.28 4.15 -0.71 0.16 115.11 118.81 2cnp h GLN 7 Ca 0.14 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2cnp h GLN 7 Cb 0.02 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2cnp h GLN 7 CO -0.08 -0.19 0.13 0.00 -1.93 0.00 0.00 178.83 176.77 2cnp h ALA 8 N 0.57 0.41 -0.13 3.38 0.00 -0.54 0.17 119.26 123.12 2cnp h ALA 8 Ca 0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2cnp h ALA 8 Cb 0.30 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2cnp h ALA 8 CO -0.07 -0.01 -0.15 0.82 0.00 0.00 0.00 179.25 179.84 2cnp h ILE 9 N 0.36 0.59 -0.73 0.00 2.04 -0.62 -1.33 117.51 117.83 2cnp h ILE 9 Ca 0.11 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.13 2cnp h ILE 9 Cb 0.16 0.59 -0.13 0.00 -0.74 0.00 0.00 36.82 36.71 2cnp h ILE 9 CO -0.01 0.00 -0.04 1.23 0.00 0.00 0.00 178.15 179.33 2cnp h GLY 10 N -0.19 0.74 0.58 5.37 0.00 0.04 0.12 103.07 109.74 2cnp h GLY 10 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2cnp h GLY 10 CO -0.24 -0.28 -0.35 1.41 0.00 0.00 0.00 176.54 177.09 2cnp h LEU 11 N 0.08 -0.95 -0.63 3.11 3.38 -0.04 0.19 115.31 120.44 2cnp h LEU 11 Ca 0.39 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.48 2cnp h LEU 11 Cb 0.65 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2cnp h LEU 11 CO -0.67 -0.48 0.38 -0.07 0.09 0.00 0.00 178.44 177.69 2cnp h LEU 12 N -0.69 0.60 0.20 1.67 4.07 -0.11 0.90 115.31 121.96 2cnp h LEU 12 Ca -0.01 0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.96 2cnp h LEU 12 Cb 0.64 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 2cnp h LEU 12 CO -0.09 0.42 -0.29 0.40 -1.08 0.00 0.00 178.44 177.80 2cnp h ILE 13 N 0.73 0.38 -0.29 1.22 2.04 -0.71 -1.29 117.51 119.59 2cnp h ILE 13 Ca 0.26 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.18 2cnp h ILE 13 Cb 0.05 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2cnp h ILE 13 CO -0.12 0.00 -0.08 1.23 0.00 0.00 0.00 178.15 179.19 2cnp h GLY 14 N -0.56 0.21 0.30 5.37 0.00 0.04 0.14 103.07 108.58 2cnp h GLY 14 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.52 2cnp h GLY 14 CO -0.11 -0.11 -0.03 -2.22 0.00 0.00 0.00 176.54 174.06 2cnp h ILE 15 N -0.00 0.66 0.46 2.60 1.08 -0.77 0.12 117.51 121.66 2cnp h ILE 15 Ca 0.14 -0.02 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2cnp h ILE 15 Cb 0.22 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2cnp h ILE 15 CO -0.31 0.01 -0.36 0.15 -0.69 0.00 0.00 178.15 176.96 2cnp h PHE 16 N 0.07 -0.97 -1.00 1.37 3.57 -0.07 -3.14 116.94 116.76 2cnp h PHE 16 Ca 0.20 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.88 2cnp h PHE 16 Cb 0.29 0.36 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2cnp h PHE 16 CO -0.30 -0.50 0.62 1.25 -2.23 0.00 0.00 178.31 177.15 2cnp h HIS 17 N -0.79 1.05 -1.01 0.41 2.76 -0.43 0.23 115.15 117.37 2cnp h HIS 17 Ca -0.06 0.03 0.24 0.00 -2.20 0.00 0.00 60.37 58.38 2cnp h HIS 17 Cb 0.66 -0.32 -0.12 0.00 1.55 0.00 0.00 27.41 29.18 2cnp h HIS 17 CO -0.12 0.27 0.61 -0.22 -1.30 0.00 0.00 177.93 177.16 2cnp h LYS 18 N 0.78 0.56 0.00 5.26 3.64 -0.71 0.97 116.57 127.08 2cnp h LYS 18 Ca 0.56 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 2cnp h LYS 18 Cb 0.85 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2cnp h LYS 18 CO -0.35 0.37 -1.02 0.66 -2.27 0.00 0.00 179.45 176.84 2cnp n TYR 19 N -4.83 0.00 -0.23 1.91 4.02 -0.01 -4.57 117.16 113.46 2cnp n TYR 19 Ca 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 58.18 2cnp n TYR 19 Cb 0.74 -0.51 0.15 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.00 0.09 -0.01 7.72 0.02 -0.68 0.75 113.55 120.44 2cnp h SER 20 Ca -0.01 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2cnp h SER 20 Cb 1.01 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2cnp h SER 20 CO -0.01 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2cnp n GLY 21 N -1.33 1.70 2.02 -3.77 0.00 0.33 -2.06 105.19 102.08 2cnp n GLY 21 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2cnp n GLY 21 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2cnp n LYS 22 N 0.17 0.00 -1.77 1.61 2.85 -0.40 -4.81 118.16 115.81 2cnp n LYS 22 Ca 0.01 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 2cnp n LYS 22 Cb 0.35 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.78 2cnp n LYS 22 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2cnp n GLU 23 N -2.66 2.79 -0.69 -1.58 0.28 0.12 -4.88 120.64 114.03 2cnp n GLU 23 Ca 0.00 -3.52 0.00 0.00 -0.16 0.00 0.00 57.16 53.48 2cnp n GLU 23 Cb 0.00 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.59 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cnp n GLY 24 N -0.66 -0.58 3.52 -1.84 0.00 -1.20 -4.80 105.19 99.62 2cnp n GLY 24 Ca 0.56 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.00 4.14 0.66 1.61 2.15 0.02 -4.74 116.67 116.51 2cnp s ASP 25 Ca 0.00 -0.34 0.31 0.00 0.43 0.00 0.00 52.55 52.95 2cnp s ASP 25 Cb 0.00 -0.78 1.66 0.00 -0.30 0.00 0.00 42.92 43.50 2cnp s ASP 25 CO 0.00 0.25 1.94 0.07 -0.17 0.00 0.00 175.17 177.26 2cnp h LYS 26 N 4.37 0.00 0.00 4.34 -0.00 -1.82 0.29 116.57 123.74 2cnp h LYS 26 Ca -0.48 0.00 -0.31 0.00 -0.00 0.00 0.00 60.65 59.86 2cnp h LYS 26 Cb 1.16 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.34 2cnp h LYS 26 CO 0.50 0.00 -1.89 0.72 -0.00 0.00 0.00 179.45 178.78 2cnp n HIS 27 N -2.92 0.72 -3.82 0.07 8.25 -1.26 -4.63 115.22 111.63 2cnp n HIS 27 Ca -0.02 0.26 -0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2cnp n HIS 27 Cb 0.38 -1.13 -0.12 0.00 1.12 0.00 0.00 29.99 30.23 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2cnp s THR 28 N -2.58 0.01 0.21 1.59 -4.23 0.09 -1.62 115.64 109.11 2cnp s THR 28 Ca -0.06 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.29 2cnp s THR 28 Cb 0.07 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 2cnp s THR 28 CO 0.83 -0.05 0.28 -1.48 -0.54 0.00 0.00 174.62 173.65 2cnp s LEU 29 N -0.12 0.85 0.52 4.79 0.05 -0.41 -0.80 118.68 123.57 2cnp s LEU 29 Ca -0.02 -1.12 0.05 0.00 0.05 0.00 0.00 54.13 53.10 2cnp s LEU 29 Cb -0.02 1.02 0.02 0.00 -2.05 0.00 0.00 46.19 45.16 2cnp s LEU 29 CO 0.00 -0.95 0.34 -0.44 -0.55 0.00 0.00 176.35 174.75 2cnp s SER 30 N -3.07 4.59 0.22 1.48 0.01 -1.26 -0.12 113.70 115.54 2cnp s SER 30 Ca 0.28 -1.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 2cnp s SER 30 Cb 0.04 0.27 0.22 0.00 0.21 0.00 0.00 66.02 66.75 2cnp s SER 30 CO 0.08 -0.99 1.56 0.07 0.41 0.00 0.00 173.24 174.38 2cnp h LYS 31 N 0.90 -0.05 -0.26 12.44 2.10 -1.90 -1.11 116.57 128.70 2cnp h LYS 31 Ca -0.38 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.32 2cnp h LYS 31 Cb 1.30 0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 32.59 2cnp h LYS 31 CO 0.60 -0.03 -0.07 -0.22 -2.00 0.00 0.00 179.45 177.73 2cnp h LYS 32 N -0.05 -0.01 -0.62 0.07 3.64 -1.97 0.59 116.57 118.23 2cnp h LYS 32 Ca 0.32 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2cnp h LYS 32 Cb 0.59 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2cnp h LYS 32 CO -0.89 -0.01 0.38 0.93 -2.27 0.00 0.00 179.45 177.59 2cnp h GLU 33 N -0.01 0.72 0.07 1.90 3.07 -1.60 0.42 114.58 119.15 2cnp h GLU 33 Ca 0.12 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2cnp h GLU 33 Cb 0.20 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2cnp h GLU 33 CO -0.27 0.48 -0.07 -0.07 -1.40 0.00 0.00 179.01 177.68 2cnp h LEU 34 N 0.75 -0.19 -0.27 1.33 3.38 -0.31 0.23 115.31 120.22 2cnp h LEU 34 Ca 0.25 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.26 2cnp h LEU 34 Cb 0.03 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2cnp h LEU 34 CO -0.11 -0.11 0.15 0.11 0.09 0.00 0.00 178.44 178.57 2cnp h LYS 35 N -0.16 0.30 0.16 1.13 1.57 -0.59 -0.56 116.57 118.43 2cnp h LYS 35 Ca 0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2cnp h LYS 35 Cb 0.15 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2cnp h LYS 35 CO -0.02 0.20 -0.24 0.93 -0.57 0.00 0.00 179.45 179.74 2cnp h GLU 36 N 0.30 -0.45 -0.29 3.15 3.07 -0.82 -0.49 114.58 119.06 2cnp h GLU 36 Ca 0.11 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 2cnp h GLU 36 Cb 0.02 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 2cnp h GLU 36 CO -0.07 -0.30 -0.32 -0.07 -1.40 0.00 0.00 179.01 176.86 2cnp h LEU 37 N -0.46 -1.08 -0.04 1.33 3.38 -0.13 0.18 115.31 118.49 2cnp h LEU 37 Ca 0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2cnp h LEU 37 Cb 0.47 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2cnp h LEU 37 CO -0.11 -0.21 0.02 -0.29 0.09 0.00 0.00 178.44 177.95 2cnp h ILE 38 N -0.18 1.02 -0.27 1.22 2.10 -1.06 0.11 117.51 120.45 2cnp h ILE 38 Ca 0.05 -0.05 0.04 0.00 1.08 0.00 0.00 64.86 65.99 2cnp h ILE 38 Cb 0.32 0.98 -0.04 0.00 -1.09 0.00 0.00 36.82 36.99 2cnp h ILE 38 CO -0.37 0.02 0.01 -0.61 -1.08 0.00 0.00 178.15 176.11 2cnp h GLN 39 N 0.04 0.09 0.10 2.19 4.15 -0.73 0.40 115.11 121.35 2cnp h GLN 39 Ca 0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2cnp h GLN 39 Cb 0.01 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2cnp h GLN 39 CO -0.00 0.06 -0.05 0.87 -1.93 0.00 0.00 178.83 177.77 2cnp h LYS 40 N 0.09 -0.13 0.00 1.69 6.56 -0.57 -3.38 116.57 120.82 2cnp h LYS 40 Ca 0.13 0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.58 2cnp h LYS 40 Cb 0.16 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 2cnp h LYS 40 CO -0.21 0.34 -0.69 0.93 -2.06 0.00 0.00 179.45 177.77 2cnp h GLU 41 N -0.91 0.00 -4.62 3.15 4.39 -0.74 -3.32 114.58 112.53 2cnp h GLU 41 Ca -0.01 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.97 2cnp h GLU 41 Cb 0.54 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.98 2cnp h GLU 41 CO 0.02 0.69 0.29 -0.51 -1.16 0.00 0.00 179.01 178.34 2cnp s LEU 42 N -7.44 5.56 -1.29 1.33 1.43 0.13 -4.95 118.68 113.44 2cnp s LEU 42 Ca -0.01 -1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 51.19 2cnp s LEU 42 Cb 0.12 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 2cnp s LEU 42 CO 0.77 -1.01 2.56 0.35 0.23 0.00 0.00 176.35 179.25 2cnp n THR 43 N 5.23 3.43 -0.07 5.49 -2.24 -1.25 -4.50 114.28 120.37 2cnp n THR 43 Ca 0.03 -2.05 -0.06 0.00 -2.27 0.00 0.00 64.05 59.70 2cnp n THR 43 Cb 0.45 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 66.26 2cnp n THR 43 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2cnp h ILE 44 N 3.22 0.19 0.00 2.28 2.04 -1.92 -3.48 117.51 119.85 2cnp h ILE 44 Ca 0.70 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2cnp h ILE 44 Cb 0.23 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2cnp h ILE 44 CO 1.63 0.07 0.00 0.61 0.00 0.00 0.00 178.15 180.46 2cnp n GLY 45 N 1.64 0.91 3.30 5.37 0.00 -1.26 -4.69 105.19 110.46 2cnp n GLY 45 Ca -0.08 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 2.11 2.57 -1.94 1.61 7.64 -1.26 -4.86 113.62 119.49 2cnp n SER 46 Ca 0.00 -2.67 -0.09 0.00 1.01 0.00 0.00 58.87 57.13 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 7.52 0.00 -1.67 1.43 4.76 -1.26 -4.74 118.16 124.20 2cnp n LYS 47 Ca 0.48 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.50 2cnp n LYS 47 Cb 0.43 -0.44 -0.03 0.00 -1.84 0.00 0.00 35.03 33.15 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 0.00 4.33 0.00 -0.35 1.43 -1.26 -4.49 118.68 118.34 2cnp s LEU 48 Ca 0.51 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 2cnp s LEU 48 Cb -0.33 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2cnp s LEU 48 CO 0.22 -1.15 0.00 1.67 0.23 0.00 0.00 176.35 177.32 2cnp n GLN 49 N 7.67 0.00 0.00 1.70 7.27 -1.26 -3.50 117.38 129.26 2cnp n GLN 49 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.28 2cnp n GLN 49 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 2cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2cnp n ASP 50 N 1.23 0.00 -0.33 1.69 2.03 -1.26 -5.03 116.55 114.87 2cnp n ASP 50 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2cnp n ASP 50 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2cnp n ALA 51 N -0.95 -0.51 -0.22 -1.67 0.00 -1.23 -0.66 120.51 115.28 2cnp n ALA 51 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 53.44 54.10 2cnp n ALA 51 Cb 0.00 -0.04 0.20 0.00 0.00 0.00 0.00 19.45 19.61 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 1.00 0.37 0.00 4.81 -1.88 0.16 114.58 119.05 2cnp h GLU 52 Ca 0.13 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2cnp h GLU 52 Cb 0.32 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2cnp h GLU 52 CO -0.74 0.73 -0.18 0.82 -0.73 0.00 0.00 179.01 178.91 2cnp h ILE 53 N 1.01 0.64 -1.00 2.32 5.03 -1.26 -0.63 117.51 123.63 2cnp h ILE 53 Ca 0.26 -0.23 0.11 0.00 -0.12 0.00 0.00 64.86 64.89 2cnp h ILE 53 Cb 0.01 0.76 -0.08 0.00 -3.03 0.00 0.00 36.82 34.48 2cnp h ILE 53 CO -0.04 0.05 0.63 0.58 -0.68 0.00 0.00 178.15 178.68 2cnp h VAL 54 N -0.63 0.94 0.15 1.67 2.07 -0.41 -0.08 116.25 119.96 2cnp h VAL 54 Ca -0.05 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2cnp h VAL 54 Cb 0.46 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2cnp h VAL 54 CO 0.08 0.18 -0.08 0.11 0.02 0.00 0.00 177.57 177.89 2cnp h LYS 55 N 1.00 -0.20 -0.83 1.57 1.79 -0.15 0.32 116.57 120.06 2cnp h LYS 55 Ca 0.49 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 59.04 2cnp h LYS 55 Cb 0.46 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 2cnp h LYS 55 CO -0.25 -0.13 0.54 -0.07 -1.08 0.00 0.00 179.45 178.46 2cnp h LEU 56 N -0.21 0.80 0.35 2.94 3.38 -0.08 0.54 115.31 123.02 2cnp h LEU 56 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2cnp h LEU 56 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2cnp h LEU 56 CO 0.03 0.51 -0.17 0.24 0.09 0.00 0.00 178.44 179.14 2cnp h MET 57 N 0.90 -0.46 -0.95 1.13 2.86 -0.73 -3.35 114.93 114.34 2cnp h MET 57 Ca 0.36 0.03 0.29 0.00 -2.06 0.00 0.00 59.70 58.32 2cnp h MET 57 Cb 0.24 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.86 2cnp h MET 57 CO -0.13 -0.30 0.38 0.22 1.06 0.00 0.00 176.91 178.13 2cnp h ASP 58 N -0.84 0.20 -0.90 1.22 3.58 -0.16 0.44 116.42 119.96 2cnp h ASP 58 Ca -0.05 0.21 0.17 0.00 0.42 0.00 0.00 57.03 57.78 2cnp h ASP 58 Cb 0.36 0.23 -0.17 0.00 1.72 0.00 0.00 39.33 41.48 2cnp h ASP 58 CO 0.08 -0.19 -0.25 -0.67 -2.88 0.00 0.00 179.24 175.33 2cnp n ASP 59 N -5.18 -0.38 -0.10 2.28 -0.08 0.16 -0.38 116.55 112.87 2cnp n ASP 59 Ca 0.27 1.55 0.02 0.00 -1.51 0.00 0.00 54.79 55.12 2cnp n ASP 59 Cb 0.86 -0.45 0.32 0.00 2.34 0.00 0.00 41.12 44.20 2cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2cnp h LEU 60 N 0.00 0.67 0.00 -2.67 3.38 -1.08 0.60 115.31 116.21 2cnp h LEU 60 Ca 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2cnp h LEU 60 Cb 0.63 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2cnp h LEU 60 CO -0.92 0.51 -0.07 -0.78 0.09 0.00 0.00 178.44 177.27 2cnp h ASP 61 N 0.77 0.00 -0.73 -0.43 3.58 -0.87 -3.31 116.42 115.43 2cnp h ASP 61 Ca 0.20 -0.50 0.15 0.00 0.42 0.00 0.00 57.03 57.30 2cnp h ASP 61 Cb -0.04 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.88 2cnp h ASP 61 CO -0.04 0.79 -0.17 -0.09 -2.88 0.00 0.00 179.24 176.86 2cnp h ARG 62 N -1.00 0.01 -0.95 0.28 2.43 -0.60 -1.00 114.38 113.55 2cnp h ARG 62 Ca -0.02 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 2cnp h ARG 62 Cb 0.56 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 2cnp h ARG 62 CO -0.01 0.00 0.16 0.09 -1.51 0.00 0.00 179.97 178.71 2cnp n ASN 63 N -5.47 3.10 -0.20 -3.80 4.13 0.19 -3.98 115.26 109.23 2cnp n ASN 63 Ca 0.10 -2.51 0.07 0.00 1.68 0.00 0.00 54.58 53.92 2cnp n ASN 63 Cb 0.38 -0.61 0.35 0.00 -1.54 0.00 0.00 39.78 38.36 2cnp n ASN 63 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2cnp h LYS 64 N 0.71 0.75 0.00 3.52 1.57 -1.26 0.17 116.57 122.03 2cnp h LYS 64 Ca 0.16 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2cnp h LYS 64 Cb 1.48 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2cnp h LYS 64 CO 0.33 0.49 0.00 -0.25 -0.57 0.00 0.00 179.45 179.46 2cnp n ASP 65 N -4.49 0.00 0.00 0.86 9.92 -1.26 -4.92 116.55 116.67 2cnp n ASP 65 Ca 0.12 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 2cnp n ASP 65 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n GLN 66 N -0.66 0.00 -2.89 -1.24 6.02 0.61 -4.83 117.38 114.39 2cnp n GLN 66 Ca 0.05 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.71 2cnp n GLN 66 Cb 0.02 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.22 2cnp n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2cnp s GLU 67 N 0.00 4.12 0.05 -1.09 0.41 -1.26 -3.53 118.70 117.40 2cnp s GLU 67 Ca 0.00 0.94 0.05 0.00 -0.41 0.00 0.00 54.97 55.55 2cnp s GLU 67 Cb 0.00 -2.26 -0.02 0.00 -1.78 0.00 0.00 34.13 30.06 2cnp s GLU 67 CO 0.00 0.01 -0.13 0.14 -0.49 0.00 0.00 175.26 174.79 2cnp s VAL 68 N -2.16 1.05 0.61 2.63 -7.23 0.82 -4.94 120.40 111.19 2cnp s VAL 68 Ca 0.59 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.65 2cnp s VAL 68 Cb -0.09 -0.98 0.04 0.00 0.56 0.00 0.00 36.38 35.90 2cnp s VAL 68 CO 0.16 -0.09 0.89 0.54 -0.31 0.00 0.00 175.10 176.29 2cnp s ASN 69 N -1.33 5.21 0.09 4.85 2.20 -1.26 -1.28 114.94 123.42 2cnp s ASN 69 Ca -0.00 0.37 -0.18 0.00 -0.94 0.00 0.00 52.86 52.11 2cnp s ASN 69 Cb -0.08 -1.21 -0.04 0.00 -2.00 0.00 0.00 41.25 37.91 2cnp s ASN 69 CO 0.01 -1.27 0.98 0.33 -2.94 0.00 0.00 177.10 174.22 2cnp n PHE 70 N -2.60 -0.25 0.05 1.54 7.35 -0.64 -0.77 117.46 122.14 2cnp n PHE 70 Ca 0.07 0.71 0.03 0.00 -0.76 0.00 0.00 57.45 57.50 2cnp n PHE 70 Cb 0.59 -0.52 0.41 0.00 0.35 0.00 0.00 39.48 40.31 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 0.41 -0.36 -4.13 5.75 -1.95 0.18 115.11 115.01 2cnp h GLN 71 Ca 0.09 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.37 2cnp h GLN 71 Cb 0.23 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2cnp h GLN 71 CO -0.53 0.37 -0.43 0.93 -2.65 0.00 0.00 178.83 176.52 2cnp h GLU 72 N 0.41 0.93 -0.28 1.69 5.08 -1.32 0.30 114.58 121.39 2cnp h GLU 72 Ca 0.10 -0.52 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2cnp h GLU 72 Cb 0.14 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 2cnp h GLU 72 CO -0.01 1.17 0.07 -0.92 -1.00 0.00 0.00 179.01 178.32 2cnp h TYR 73 N 0.75 0.11 -0.73 4.33 3.20 0.12 0.12 116.97 124.87 2cnp h TYR 73 Ca 0.05 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.98 2cnp h TYR 73 Cb 1.03 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 2cnp h TYR 73 CO 0.07 0.03 0.48 0.82 -1.64 0.00 0.00 178.16 177.92 2cnp h ILE 74 N 0.17 1.07 -0.63 1.81 1.08 -0.41 0.05 117.51 120.66 2cnp h ILE 74 Ca 0.13 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 2cnp h ILE 74 Cb 0.13 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2cnp h ILE 74 CO -0.16 0.15 0.14 0.74 -0.69 0.00 0.00 178.15 178.33 2cnp h THR 75 N 0.83 1.25 0.23 -0.27 2.02 0.60 0.38 112.91 117.95 2cnp h THR 75 Ca 0.30 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2cnp h THR 75 Cb 0.15 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2cnp h THR 75 CO -0.09 0.35 -0.30 0.15 0.37 0.00 0.00 175.52 175.99 2cnp h PHE 76 N 0.94 -0.81 -0.82 3.16 3.57 0.10 0.15 116.94 123.24 2cnp h PHE 76 Ca 0.20 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2cnp h PHE 76 Cb 0.35 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 2cnp h PHE 76 CO 0.02 -0.42 0.53 -0.07 -2.23 0.00 0.00 178.31 176.15 2cnp h LEU 77 N -0.59 0.90 -0.48 0.59 3.38 -0.86 -0.50 115.31 117.75 2cnp h LEU 77 Ca 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2cnp h LEU 77 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2cnp h LEU 77 CO -0.10 0.64 -0.24 1.23 0.09 0.00 0.00 178.44 180.06 2cnp h GLY 78 N 1.06 1.08 0.75 0.83 0.00 0.01 0.12 103.07 106.93 2cnp h GLY 78 Ca 0.31 -0.98 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 2cnp h GLY 78 CO -0.09 0.89 -0.00 0.00 0.00 0.00 0.00 176.54 177.34 2cnp h ALA 79 N 0.86 -0.00 -0.33 3.60 0.00 -0.53 0.15 119.26 123.02 2cnp h ALA 79 Ca 0.11 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2cnp h ALA 79 Cb 0.82 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2cnp h ALA 79 CO 0.07 -0.38 -0.42 1.25 0.00 0.00 0.00 179.25 179.77 2cnp h LEU 80 N -0.25 -1.39 0.07 0.00 7.12 -0.92 0.75 115.31 120.70 2cnp h LEU 80 Ca -0.00 0.20 0.01 0.00 0.13 0.00 0.00 57.88 58.22 2cnp h LEU 80 Cb 0.25 0.60 -0.04 0.00 -0.53 0.00 0.00 40.66 40.94 2cnp h LEU 80 CO 0.00 -0.38 -0.40 0.00 -0.13 0.00 0.00 178.44 177.53 2cnp h ALA 81 N 0.34 -0.88 -0.90 1.25 0.00 -0.73 -1.60 119.26 116.74 2cnp h ALA 81 Ca 0.12 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2cnp h ALA 81 Cb 0.59 0.80 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 2cnp h ALA 81 CO -0.52 -0.99 0.58 1.98 0.00 0.00 0.00 179.25 180.30 2cnp h MET 82 N -0.56 0.79 0.41 0.00 1.85 -0.17 0.33 114.93 117.58 2cnp h MET 82 Ca -0.00 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.02 2cnp h MET 82 Cb 0.57 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.42 2cnp h MET 82 CO -0.23 0.52 -0.20 0.82 -0.40 0.00 0.00 176.91 177.43 2cnp h ILE 83 N 0.81 0.30 0.06 1.77 2.04 -0.66 -3.32 117.51 118.52 2cnp h ILE 83 Ca 0.44 -0.63 -0.25 0.00 1.00 0.00 0.00 64.86 65.42 2cnp h ILE 83 Cb 0.56 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2cnp h ILE 83 CO -0.20 0.06 -1.07 0.10 0.00 0.00 0.00 178.15 177.04 2cnp h TYR 84 N -1.04 0.53 -0.06 1.37 -0.00 -0.90 -3.12 116.97 113.75 2cnp h TYR 84 Ca -0.06 -0.33 -0.62 0.00 0.00 0.00 0.00 58.73 57.73 2cnp h TYR 84 Cb 0.52 -0.04 0.01 0.00 0.00 0.00 0.00 36.73 37.22 2cnp h TYR 84 CO 0.02 1.19 3.29 0.09 -0.00 0.00 0.00 178.16 182.75 2cnp n ASN 85 N -3.64 8.33 -0.36 0.10 4.13 0.11 -4.77 115.26 119.17 2cnp n ASN 85 Ca -0.07 -2.59 0.28 0.00 1.68 0.00 0.00 54.58 53.88 2cnp n ASN 85 Cb 0.92 -1.53 0.58 0.00 -1.54 0.00 0.00 39.78 38.21 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2cnp h GLU 86 N 4.74 0.25 -1.21 3.52 4.81 -1.64 -0.41 114.58 124.64 2cnp h GLU 86 Ca 0.79 -0.01 0.40 0.00 -0.13 0.00 0.00 59.36 60.40 2cnp h GLU 86 Cb 0.43 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.62 2cnp h GLU 86 CO 1.59 0.16 0.76 0.00 -0.73 0.00 0.00 179.01 180.79 2cnp h ALA 87 N 1.57 2.51 -0.74 2.92 0.00 -1.86 0.10 119.26 123.76 2cnp h ALA 87 Ca 0.65 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.82 2cnp h ALA 87 Cb 1.91 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.84 2cnp h ALA 87 CO -0.28 -1.13 0.49 -0.07 0.00 0.00 0.00 179.25 178.27 2cnp h LEU 88 N 0.15 0.46 -4.73 0.00 3.38 -1.32 -3.18 115.31 110.07 2cnp h LEU 88 Ca 0.78 0.02 -0.46 0.00 0.09 0.00 0.00 57.88 58.31 2cnp h LEU 88 Cb 2.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.96 2cnp h LEU 88 CO -0.46 0.25 2.26 0.29 0.09 0.00 0.00 178.44 180.86 2cnp n LYS 89 N -4.49 2.86 0.00 1.13 5.02 0.35 -5.12 118.16 117.91 2cnp n LYS 89 Ca 0.14 -1.66 0.07 0.00 -2.02 0.00 0.00 58.31 54.84 2cnp n LYS 89 Cb 0.46 -2.46 0.44 0.00 -0.02 0.00 0.00 35.03 33.45 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29