#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp s ALA 2 N 0.00 -1.58 0.73 3.04 0.00 -1.26 -5.12 121.76 117.57 1cnp s ALA 2 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1cnp s ALA 2 Cb 0.00 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1cnp s ALA 2 CO 0.00 -0.93 1.09 -1.12 0.00 0.00 0.00 175.76 174.80 1cnp s SER 3 N -2.82 4.81 0.20 0.00 0.01 -1.26 -4.76 113.70 109.88 1cnp s SER 3 Ca 0.09 1.82 -0.12 0.00 1.31 0.00 0.00 55.95 59.05 1cnp s SER 3 Cb -0.02 -2.52 0.24 0.00 0.21 0.00 0.00 66.02 63.92 1cnp s SER 3 CO -0.01 -1.83 1.68 -0.65 0.41 0.00 0.00 173.24 172.84 1cnp h PRO 4 N -0.79 0.14 -0.43 12.44 0.11 -2.02 -0.14 132.00 141.32 1cnp h PRO 4 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1cnp h PRO 4 Cb 1.23 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1cnp h PRO 4 CO 0.53 0.10 0.06 -0.07 -0.21 0.00 0.00 178.00 178.40 1cnp h LEU 5 N 0.15 0.70 -0.17 2.35 3.38 -1.98 0.86 115.31 120.59 1cnp h LEU 5 Ca 0.28 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cnp h LEU 5 Cb 0.43 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1cnp h LEU 5 CO -0.44 0.79 -0.39 0.44 0.09 0.00 0.00 178.44 178.94 1cnp h ASP 6 N 0.58 -1.22 -0.16 -0.43 3.32 -1.72 0.27 116.42 117.06 1cnp h ASP 6 Ca 0.13 0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.39 1cnp h ASP 6 Cb 0.40 0.51 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 1cnp h ASP 6 CO 0.01 -0.40 -0.06 -0.61 -1.72 0.00 0.00 179.24 176.46 1cnp h GLN 7 N -0.43 -0.04 0.42 3.56 4.15 -0.80 0.14 115.11 122.10 1cnp h GLN 7 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1cnp h GLN 7 Cb 0.60 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1cnp h GLN 7 CO -0.41 -0.02 -0.31 0.00 -1.93 0.00 0.00 178.83 176.16 1cnp h ALA 8 N 1.12 -0.72 -0.69 3.38 0.00 -0.37 0.18 119.26 122.16 1cnp h ALA 8 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cnp h ALA 8 Cb 0.17 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1cnp h ALA 8 CO -0.19 -0.93 0.40 0.82 0.00 0.00 0.00 179.25 179.35 1cnp h ILE 9 N -0.72 1.20 -0.43 0.00 5.03 -0.80 0.91 117.51 122.70 1cnp h ILE 9 Ca -0.04 -0.47 0.09 0.00 -0.12 0.00 0.00 64.86 64.33 1cnp h ILE 9 Cb 0.61 0.27 -0.09 0.00 -3.03 0.00 0.00 36.82 34.58 1cnp h ILE 9 CO 0.01 0.21 -0.18 1.23 -0.68 0.00 0.00 178.15 178.74 1cnp h GLY 10 N 0.94 0.17 0.62 5.37 0.00 -0.49 0.58 103.07 110.26 1cnp h GLY 10 Ca 0.25 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 1cnp h GLY 10 CO -0.04 -0.20 -0.37 1.41 0.00 0.00 0.00 176.54 177.34 1cnp h LEU 11 N -0.09 -0.99 -0.54 3.11 4.07 0.30 0.51 115.31 121.68 1cnp h LEU 11 Ca 0.21 0.08 0.10 0.00 0.08 0.00 0.00 57.88 58.35 1cnp h LEU 11 Cb 0.41 0.33 -0.08 0.00 1.08 0.00 0.00 40.66 42.41 1cnp h LEU 11 CO -0.49 -0.51 0.11 -0.07 -1.08 0.00 0.00 178.44 176.39 1cnp h LEU 12 N -0.76 -0.01 0.12 1.67 3.38 -0.11 0.34 115.31 119.94 1cnp h LEU 12 Ca -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1cnp h LEU 12 Cb 0.68 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1cnp h LEU 12 CO -0.06 0.02 -0.06 0.40 0.09 0.00 0.00 178.44 178.83 1cnp h ILE 13 N 0.24 0.91 -0.88 1.22 2.04 -0.81 -0.32 117.51 119.90 1cnp h ILE 13 Ca 0.28 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1cnp h ILE 13 Cb 0.39 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1cnp h ILE 13 CO -0.36 0.03 0.58 1.23 0.00 0.00 0.00 178.15 179.62 1cnp h GLY 14 N -0.21 1.26 0.91 5.37 0.00 0.17 -3.22 103.07 107.35 1cnp h GLY 14 Ca -0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 47.33 46.64 1cnp h GLY 14 CO 0.03 0.41 -0.98 -2.22 0.00 0.00 0.00 176.54 173.77 1cnp h ILE 15 N 1.15 1.41 -0.04 2.60 1.08 -0.29 -3.36 117.51 120.06 1cnp h ILE 15 Ca 0.34 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 1cnp h ILE 15 Cb -0.06 2.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1cnp h ILE 15 CO -0.09 0.72 -0.02 0.33 -0.69 0.00 0.00 178.15 178.39 1cnp n PHE 16 N -4.00 -0.02 1.37 1.37 7.35 -0.14 -0.30 117.46 123.08 1cnp n PHE 16 Ca -0.14 0.05 0.13 0.00 -0.76 0.00 0.00 57.45 56.74 1cnp n PHE 16 Cb 0.88 -0.26 0.44 0.00 0.35 0.00 0.00 39.48 40.90 1cnp n PHE 16 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1cnp n HIS 17 N -2.64 0.00 -0.15 -5.13 1.44 -1.26 -4.41 115.22 103.07 1cnp n HIS 17 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1cnp n HIS 17 Cb 0.01 -0.05 0.33 0.00 0.12 0.00 0.00 29.99 30.41 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1cnp h LYS 18 N 1.99 0.77 0.00 -1.40 3.64 -0.81 -0.30 116.57 120.46 1cnp h LYS 18 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1cnp h LYS 18 Cb 0.53 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1cnp h LYS 18 CO 0.00 0.51 0.00 1.88 -2.27 0.00 0.00 179.45 179.57 1cnp h TYR 19 N 0.80 0.00 0.00 1.91 0.05 -1.77 0.16 116.97 118.12 1cnp h TYR 19 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1cnp h TYR 19 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1cnp h TYR 19 CO -0.00 0.00 0.00 0.77 -1.05 0.00 0.00 178.16 177.88 1cnp h SER 20 N 0.00 0.00 0.00 3.88 0.02 -1.34 -3.46 113.55 112.65 1cnp h SER 20 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cnp h SER 20 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1cnp h SER 20 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1cnp n GLY 21 N 0.60 1.40 2.17 -3.77 0.00 0.56 -4.58 105.19 101.56 1cnp n GLY 21 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1cnp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cnp n LYS 22 N 0.00 2.34 -0.14 1.61 4.81 -1.26 -4.71 118.16 120.81 1cnp n LYS 22 Ca 0.00 -1.54 0.06 0.00 -0.87 0.00 0.00 58.31 55.96 1cnp n LYS 22 Cb 0.00 -2.12 0.38 0.00 0.02 0.00 0.00 35.03 33.30 1cnp n LYS 22 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1cnp h GLU 23 N 3.22 0.67 0.00 1.64 4.11 -1.77 -0.71 114.58 121.74 1cnp h GLU 23 Ca 0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1cnp h GLU 23 Cb 1.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1cnp h GLU 23 CO 0.57 0.45 0.00 0.41 0.07 0.00 0.00 179.01 180.51 1cnp n GLY 24 N -1.46 -1.68 0.12 1.06 0.00 -1.26 -1.51 105.19 100.46 1cnp n GLY 24 Ca 0.09 0.33 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 1cnp n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cnp h ASP 25 N 0.00 0.52 -0.05 1.61 2.03 -1.98 -3.38 116.42 115.17 1cnp h ASP 25 Ca 0.00 -0.93 -0.63 0.00 -0.73 0.00 0.00 57.03 54.73 1cnp h ASP 25 Cb 0.00 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1cnp h ASP 25 CO 0.00 1.49 3.44 0.29 -1.03 0.00 0.00 179.24 183.43 1cnp n LYS 26 N -4.02 3.60 -1.23 4.15 4.76 -0.28 -4.73 118.16 120.42 1cnp n LYS 26 Ca -0.16 -2.15 -0.32 0.00 -2.87 0.00 0.00 58.31 52.81 1cnp n LYS 26 Cb 0.89 -2.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.29 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1cnp n HIS 27 N 3.41 1.81 -3.64 2.13 1.44 -0.57 -4.37 115.22 115.43 1cnp n HIS 27 Ca 0.75 -2.69 -0.03 0.00 -2.01 0.00 0.00 57.72 53.74 1cnp n HIS 27 Cb 0.29 -2.27 -0.05 0.00 0.12 0.00 0.00 29.99 28.08 1cnp n HIS 27 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1cnp s THR 28 N 1.88 0.00 -0.00 0.61 -4.23 -1.26 -4.65 115.64 107.99 1cnp s THR 28 Ca 0.69 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.19 1cnp s THR 28 Cb 0.21 -1.00 -0.00 0.00 1.34 0.00 0.00 72.50 73.05 1cnp s THR 28 CO -0.04 0.00 0.02 -1.48 -0.54 0.00 0.00 174.62 172.57 1cnp s LEU 29 N -0.72 1.97 0.00 4.79 -0.00 0.13 -4.76 118.68 120.09 1cnp s LEU 29 Ca 0.08 -0.09 0.00 0.00 -0.00 0.00 0.00 54.13 54.12 1cnp s LEU 29 Cb -0.02 0.11 0.00 0.00 -0.00 0.00 0.00 46.19 46.28 1cnp s LEU 29 CO -0.09 -0.09 0.00 -0.24 -0.00 0.00 0.00 176.35 175.93 1cnp n SER 30 N 2.67 0.00 0.09 1.48 2.88 -1.26 -0.05 113.62 119.42 1cnp n SER 30 Ca -0.15 -0.86 -0.13 0.00 -1.33 0.00 0.00 58.87 56.40 1cnp n SER 30 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.97 1cnp n SER 30 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1cnp h LYS 31 N 0.00 -0.15 -0.60 -1.46 2.10 -1.96 0.16 116.57 114.66 1cnp h LYS 31 Ca 0.00 0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.60 1cnp h LYS 31 Cb 0.00 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1cnp h LYS 31 CO 0.00 -0.01 0.13 1.57 -2.00 0.00 0.00 179.45 179.15 1cnp h LYS 32 N -0.27 0.98 -0.03 0.07 2.10 -1.96 0.59 116.57 118.05 1cnp h LYS 32 Ca -0.02 -0.24 0.03 0.00 -2.00 0.00 0.00 60.65 58.42 1cnp h LYS 32 Cb 0.22 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 1cnp h LYS 32 CO 0.03 0.90 -0.14 0.93 -2.00 0.00 0.00 179.45 179.17 1cnp h GLU 33 N 0.89 -0.20 -0.54 0.07 3.07 -1.85 -1.67 114.58 114.34 1cnp h GLU 33 Ca 0.19 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.11 1cnp h GLU 33 Cb 0.38 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.28 1cnp h GLU 33 CO 0.01 -0.14 0.27 1.25 -1.40 0.00 0.00 179.01 179.00 1cnp h LEU 34 N -0.21 0.39 -1.44 1.33 6.46 -0.14 0.42 115.31 122.12 1cnp h LEU 34 Ca 0.06 0.03 0.17 0.00 -0.12 0.00 0.00 57.88 58.02 1cnp h LEU 34 Cb 0.29 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.11 1cnp h LEU 34 CO -0.16 0.27 0.56 0.50 -0.62 0.00 0.00 178.44 178.99 1cnp h LYS 35 N 0.53 0.50 0.01 1.25 3.64 -0.73 -0.26 116.57 121.50 1cnp h LYS 35 Ca 0.24 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.35 1cnp h LYS 35 Cb 0.15 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1cnp h LYS 35 CO -0.17 0.33 -0.98 1.49 -2.27 0.00 0.00 179.45 177.85 1cnp h GLU 36 N 0.51 0.43 0.00 1.90 4.57 0.43 -3.39 114.58 119.03 1cnp h GLU 36 Ca 0.44 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1cnp h GLU 36 Cb 0.92 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1cnp h GLU 36 CO -0.18 1.14 0.00 -0.11 -1.18 0.00 0.00 179.01 178.69 1cnp n LEU 37 N -3.74 0.00 0.00 1.64 0.00 0.11 -3.63 117.00 111.38 1cnp n LEU 37 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 56.01 56.65 1cnp n LEU 37 Cb 0.86 -0.21 0.00 0.00 0.00 0.00 0.00 43.42 44.07 1cnp n LEU 37 CO 0.52 -0.21 0.25 2.30 0.00 0.00 0.00 177.39 180.25 1cnp n ILE 38 N -1.14 0.34 -0.09 1.96 -5.35 -0.49 -0.59 119.36 113.99 1cnp n ILE 38 Ca 0.00 0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.51 1cnp n ILE 38 Cb 0.00 -1.14 -0.04 0.00 -1.74 0.00 0.00 39.64 36.72 1cnp n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cnp n GLN 39 N -0.94 0.51 -0.20 6.28 10.64 -1.25 -4.33 117.38 128.07 1cnp n GLN 39 Ca 0.00 0.40 -0.02 0.00 -1.83 0.00 0.00 57.00 55.55 1cnp n GLN 39 Cb 0.05 -1.59 0.01 0.00 -0.86 0.00 0.00 30.24 27.85 1cnp n GLN 39 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1cnp n LYS 40 N -4.51 1.10 0.00 2.61 4.01 -0.05 -4.89 118.16 116.44 1cnp n LYS 40 Ca -0.17 -0.22 0.00 0.00 -0.51 0.00 0.00 58.31 57.41 1cnp n LYS 40 Cb 0.46 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.90 1cnp n LYS 40 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1cnp n GLU 41 N 0.61 0.00 -0.01 1.97 0.28 0.24 -4.89 120.64 118.83 1cnp n GLU 41 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1cnp n GLU 41 Cb 0.57 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.43 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cnp n LEU 42 N 0.00 0.38 0.00 -1.84 4.77 -1.26 -4.80 117.00 114.25 1cnp n LEU 42 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1cnp n LEU 42 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1cnp n LEU 42 CO 0.00 -0.48 0.00 0.41 -1.33 0.00 0.00 177.39 175.99 1cnp n THR 43 N -2.88 0.00 0.00 -5.08 -1.04 -1.26 -4.80 114.28 99.23 1cnp n THR 43 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1cnp n THR 43 Cb 0.08 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1cnp n THR 43 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1cnp n ILE 44 N -0.13 0.00 0.00 12.58 5.41 -1.26 -4.80 119.36 131.16 1cnp n ILE 44 Ca 0.00 0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.90 1cnp n ILE 44 Cb 0.00 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cnp n GLY 45 N 2.15 0.67 3.45 7.39 0.00 -1.26 -4.30 105.19 113.29 1cnp n GLY 45 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1cnp n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cnp s SER 46 N 0.00 -0.57 0.00 1.61 0.15 -1.26 -4.92 113.70 108.71 1cnp s SER 46 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1cnp s SER 46 Cb 0.00 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1cnp s SER 46 CO 0.00 -0.22 0.00 1.17 1.20 0.00 0.00 173.24 175.39 1cnp n LYS 47 N 2.65 0.00 0.00 5.44 3.00 -1.26 -5.05 118.16 122.94 1cnp n LYS 47 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1cnp n LYS 47 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 35.03 35.40 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cnp n LEU 48 N 0.00 0.00 0.30 3.14 4.77 -1.26 -4.45 117.00 119.50 1cnp n LEU 48 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1cnp n LEU 48 Cb 0.19 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.19 1cnp n LEU 48 CO 0.00 0.00 1.07 0.06 -1.33 0.00 0.00 177.39 177.19 1cnp h GLN 49 N 0.00 0.00 0.00 3.23 3.07 -1.99 -3.44 115.11 115.97 1cnp h GLN 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1cnp h GLN 49 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1cnp h GLN 49 CO 0.00 0.03 0.00 -0.40 0.09 0.00 0.00 178.83 178.55 1cnp n ASP 50 N -3.21 0.00 -3.56 0.06 5.75 -1.26 -4.96 116.55 109.36 1cnp n ASP 50 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.69 1cnp n ASP 50 Cb 0.20 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cnp s ALA 51 N -2.66 -1.74 0.29 2.12 0.00 -1.26 -4.93 121.76 113.57 1cnp s ALA 51 Ca 0.00 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1cnp s ALA 51 Cb 0.00 0.54 0.67 0.00 0.00 0.00 0.00 23.12 24.33 1cnp s ALA 51 CO 0.00 -0.79 1.75 0.93 0.00 0.00 0.00 175.76 177.65 1cnp h GLU 52 N 2.00 0.61 -0.57 0.00 3.07 -1.97 0.25 114.58 117.97 1cnp h GLU 52 Ca -0.24 -0.04 0.11 0.00 -0.50 0.00 0.00 59.36 58.70 1cnp h GLU 52 Cb 1.25 -0.14 -0.10 0.00 -0.84 0.00 0.00 28.75 28.92 1cnp h GLU 52 CO 0.30 0.40 -0.02 0.82 -1.40 0.00 0.00 179.01 179.11 1cnp h ILE 53 N 0.63 0.52 -0.20 3.13 1.08 -1.98 0.32 117.51 121.02 1cnp h ILE 53 Ca 0.54 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.96 1cnp h ILE 53 Cb 0.87 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1cnp h ILE 53 CO -0.41 0.02 0.05 0.58 -0.69 0.00 0.00 178.15 177.70 1cnp h VAL 54 N 0.10 1.20 0.00 1.67 2.07 -0.94 0.13 116.25 120.48 1cnp h VAL 54 Ca 0.29 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1cnp h VAL 54 Cb 0.45 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1cnp h VAL 54 CO -0.50 0.20 0.00 0.50 0.02 0.00 0.00 177.57 177.79 1cnp h LYS 55 N 0.14 0.00 0.10 1.57 3.11 -0.29 -0.43 116.57 120.77 1cnp h LYS 55 Ca 0.06 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.64 1cnp h LYS 55 Cb 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 1cnp h LYS 55 CO -0.00 0.00 -1.38 1.25 -2.81 0.00 0.00 179.45 176.51 1cnp h LEU 56 N 0.00 0.33 -0.60 5.20 5.85 0.01 -3.41 115.31 122.70 1cnp h LEU 56 Ca 0.00 -0.83 -0.07 0.00 0.84 0.00 0.00 57.88 57.82 1cnp h LEU 56 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1cnp h LEU 56 CO 0.00 1.60 0.10 0.24 -0.34 0.00 0.00 178.44 180.03 1cnp h MET 57 N -0.37 0.99 -0.79 1.25 2.86 0.36 -3.28 114.93 115.94 1cnp h MET 57 Ca -0.30 -0.27 0.14 0.00 -2.06 0.00 0.00 59.70 57.21 1cnp h MET 57 Cb 1.71 -0.11 -0.14 0.00 0.06 0.00 0.00 31.60 33.11 1cnp h MET 57 CO 0.03 0.93 -0.33 0.38 1.06 0.00 0.00 176.91 178.99 1cnp h ASP 58 N 0.89 -1.18 -0.97 1.22 2.03 -1.35 -0.51 116.42 116.55 1cnp h ASP 58 Ca 0.18 0.26 0.24 0.00 -0.73 0.00 0.00 57.03 56.98 1cnp h ASP 58 Cb 0.42 0.63 -0.18 0.00 -0.83 0.00 0.00 39.33 39.37 1cnp h ASP 58 CO 0.01 -0.29 -0.09 -0.67 -1.03 0.00 0.00 179.24 177.17 1cnp n ASP 59 N -5.47 -0.21 -0.08 4.15 -0.08 -1.24 -3.05 116.55 110.57 1cnp n ASP 59 Ca 0.08 1.65 0.22 0.00 -1.51 0.00 0.00 54.79 55.23 1cnp n ASP 59 Cb 0.39 -0.56 0.68 0.00 2.34 0.00 0.00 41.12 43.97 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1cnp h LEU 60 N 0.00 0.05 -0.40 -2.67 3.38 -1.26 0.11 115.31 114.52 1cnp h LEU 60 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1cnp h LEU 60 Cb 1.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1cnp h LEU 60 CO -0.94 0.02 0.00 -0.67 0.09 0.00 0.00 178.44 176.94 1cnp n ASP 61 N -4.36 0.20 -0.60 -0.43 2.03 -1.17 -3.70 116.55 108.52 1cnp n ASP 61 Ca 0.13 0.58 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1cnp n ASP 61 Cb 0.71 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1cnp n ASP 61 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1cnp n ARG 62 N -1.75 0.00 -0.30 -0.67 1.85 0.39 -3.98 116.66 112.21 1cnp n ARG 62 Ca 0.01 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 57.02 1cnp n ARG 62 Cb 0.07 -1.05 0.42 0.00 -1.05 0.00 0.00 32.46 30.85 1cnp n ARG 62 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1cnp h ASN 63 N 1.12 0.58 0.00 2.89 7.08 -1.86 -1.80 115.58 123.60 1cnp h ASN 63 Ca 0.00 0.07 -0.42 0.00 -3.08 0.00 0.00 56.30 52.87 1cnp h ASN 63 Cb 0.00 -0.04 0.01 0.00 -2.08 0.00 0.00 38.32 36.21 1cnp h ASN 63 CO 0.00 0.22 2.43 2.29 -2.08 0.00 0.00 177.43 180.28 1cnp n LYS 64 N -4.62 2.46 -0.03 4.14 0.00 -1.26 -4.50 118.16 114.35 1cnp n LYS 64 Ca 0.21 -1.54 0.14 0.00 -0.00 0.00 0.00 58.31 57.12 1cnp n LYS 64 Cb 0.65 -2.44 0.56 0.00 -0.00 0.00 0.00 35.03 33.80 1cnp n LYS 64 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1cnp h ASP 65 N 5.39 0.25 -0.00 -5.58 3.58 -1.68 -3.35 116.42 115.02 1cnp h ASP 65 Ca 0.54 0.01 -0.64 0.00 0.42 0.00 0.00 57.03 57.36 1cnp h ASP 65 Cb 0.39 -0.05 0.07 0.00 1.72 0.00 0.00 39.33 41.46 1cnp h ASP 65 CO 1.31 0.15 2.14 1.67 -2.88 0.00 0.00 179.24 181.63 1cnp n GLN 66 N -4.46 1.25 -2.39 0.28 -0.06 -1.26 -4.15 117.38 106.60 1cnp n GLN 66 Ca 0.09 -1.71 -0.01 0.00 -2.00 0.00 0.00 57.00 53.37 1cnp n GLN 66 Cb 0.40 -2.85 -0.01 0.00 -4.06 0.00 0.00 30.24 23.72 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1cnp n GLU 67 N 7.18 -2.74 -2.40 3.69 4.71 -1.26 -4.95 120.64 124.87 1cnp n GLU 67 Ca 0.49 2.29 -0.42 0.00 -0.01 0.00 0.00 57.16 59.51 1cnp n GLU 67 Cb 0.41 -4.24 -0.03 0.00 -1.01 0.00 0.00 31.44 26.56 1cnp n GLU 67 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1cnp s VAL 68 N -1.11 3.79 0.51 2.62 1.01 0.92 -4.82 120.40 123.33 1cnp s VAL 68 Ca -0.03 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1cnp s VAL 68 Cb 0.00 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1cnp s VAL 68 CO 0.59 0.17 0.66 0.54 0.00 0.00 0.00 175.10 177.05 1cnp s ASN 69 N 0.58 5.25 0.17 3.32 2.20 -1.26 -0.70 114.94 124.51 1cnp s ASN 69 Ca 0.56 -0.72 -0.14 0.00 -0.94 0.00 0.00 52.86 51.61 1cnp s ASN 69 Cb -0.31 -0.08 0.08 0.00 -2.00 0.00 0.00 41.25 38.94 1cnp s ASN 69 CO 0.33 -1.08 1.82 0.15 -2.94 0.00 0.00 177.10 175.37 1cnp h PHE 70 N 0.43 0.57 0.01 1.54 3.57 -1.97 0.77 116.94 121.86 1cnp h PHE 70 Ca -0.34 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 1cnp h PHE 70 Cb 1.29 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1cnp h PHE 70 CO 0.47 0.34 -0.01 0.37 -2.23 0.00 0.00 178.31 177.25 1cnp h GLN 71 N 0.61 -0.02 -0.55 1.11 -0.00 -1.98 0.26 115.11 114.55 1cnp h GLN 71 Ca 0.20 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.95 1cnp h GLN 71 Cb -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 1cnp h GLN 71 CO -0.08 0.26 0.11 0.93 0.00 0.00 0.00 178.83 180.05 1cnp h GLU 72 N -0.29 0.24 0.15 1.69 3.07 -1.90 0.11 114.58 117.65 1cnp h GLU 72 Ca -0.00 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1cnp h GLU 72 Cb 0.28 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 1cnp h GLU 72 CO 0.00 0.16 -0.32 -0.92 -1.40 0.00 0.00 179.01 176.53 1cnp h TYR 73 N 0.25 -0.87 -0.82 4.33 3.20 -0.63 -3.07 116.97 119.37 1cnp h TYR 73 Ca 0.28 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.27 1cnp h TYR 73 Cb 0.40 0.36 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 1cnp h TYR 73 CO -0.24 -0.43 0.46 0.82 -1.64 0.00 0.00 178.16 177.13 1cnp h ILE 74 N -0.56 0.88 -0.66 1.81 1.08 0.54 -3.29 117.51 117.31 1cnp h ILE 74 Ca 0.02 -0.26 0.08 0.00 -0.39 0.00 0.00 64.86 64.32 1cnp h ILE 74 Cb 0.58 0.06 -0.09 0.00 -3.07 0.00 0.00 36.82 34.30 1cnp h ILE 74 CO -0.17 0.14 -0.33 0.41 -0.69 0.00 0.00 178.15 177.51 1cnp n THR 75 N -4.77 -0.40 -0.19 -0.27 -1.04 0.28 0.08 114.28 107.96 1cnp n THR 75 Ca 0.14 1.58 -0.08 0.00 -2.04 0.00 0.00 64.05 63.64 1cnp n THR 75 Cb 0.30 -2.01 0.02 0.00 -1.82 0.00 0.00 70.33 66.81 1cnp n THR 75 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1cnp h PHE 76 N 0.00 0.85 -0.92 -1.42 -0.00 -1.76 -1.52 116.94 112.16 1cnp h PHE 76 Ca 0.17 -0.08 0.06 0.00 -0.00 0.00 0.00 57.97 58.12 1cnp h PHE 76 Cb 0.33 -0.25 -0.06 0.00 -0.00 0.00 0.00 35.95 35.97 1cnp h PHE 76 CO -0.63 0.72 0.58 -0.07 -0.00 0.00 0.00 178.31 178.91 1cnp h LEU 77 N 0.73 0.92 -0.55 2.10 4.07 -0.54 0.83 115.31 122.88 1cnp h LEU 77 Ca 0.17 0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.24 1cnp h LEU 77 Cb 0.27 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.75 1cnp h LEU 77 CO -0.01 0.59 0.14 1.23 -1.08 0.00 0.00 178.44 179.31 1cnp h GLY 78 N 1.06 0.71 0.78 0.83 0.00 0.41 0.29 103.07 107.14 1cnp h GLY 78 Ca 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 1cnp h GLY 78 CO -0.18 -0.06 -0.37 0.00 0.00 0.00 0.00 176.54 175.93 1cnp h ALA 79 N 1.41 -1.13 -0.95 3.60 0.00 -0.66 -3.29 119.26 118.25 1cnp h ALA 79 Ca 0.28 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.18 1cnp h ALA 79 Cb 0.37 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1cnp h ALA 79 CO -0.33 -1.05 0.62 -0.07 0.00 0.00 0.00 179.25 178.42 1cnp h LEU 80 N -1.18 0.40 -0.97 0.00 3.38 -0.41 -1.69 115.31 114.84 1cnp h LEU 80 Ca -0.11 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.20 1cnp h LEU 80 Cb 0.80 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 1cnp h LEU 80 CO 0.18 0.14 0.15 0.00 0.09 0.00 0.00 178.44 178.99 1cnp h ALA 81 N 1.60 1.34 -0.53 1.53 0.00 -0.50 0.34 119.26 123.05 1cnp h ALA 81 Ca 0.50 0.31 0.11 0.00 0.00 0.00 0.00 54.91 55.83 1cnp h ALA 81 Cb 1.29 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1cnp h ALA 81 CO -0.20 -0.61 0.36 0.52 0.00 0.00 0.00 179.25 179.32 1cnp h MET 82 N 0.05 0.21 0.00 0.00 2.86 -1.48 -1.02 114.93 115.54 1cnp h MET 82 Ca 0.63 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 1cnp h MET 82 Cb 1.36 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1cnp h MET 82 CO -0.84 0.14 -0.39 -0.89 1.06 0.00 0.00 176.91 175.99 1cnp n ILE 83 N -4.44 0.82 0.11 -1.22 2.08 0.92 -4.42 119.36 113.21 1cnp n ILE 83 Ca 0.09 0.33 -0.20 0.00 0.56 0.00 0.00 62.75 63.52 1cnp n ILE 83 Cb 0.45 -2.00 -0.15 0.00 -0.75 0.00 0.00 39.64 37.19 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1cnp h TYR 84 N -0.56 0.69 0.00 1.39 -0.00 -0.73 -3.40 116.97 114.36 1cnp h TYR 84 Ca 0.00 -0.50 -0.05 0.00 -0.00 0.00 0.00 58.73 58.18 1cnp h TYR 84 Cb 0.39 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 1cnp h TYR 84 CO -0.17 1.44 -0.30 -0.97 -0.00 0.00 0.00 178.16 178.17 1cnp h ASN 85 N 0.10 0.00 -5.23 0.10 -1.24 -1.41 -3.49 115.58 104.42 1cnp h ASN 85 Ca -0.22 -0.66 -0.13 0.00 0.71 0.00 0.00 56.30 56.00 1cnp h ASN 85 Cb 2.07 0.00 -0.15 0.00 0.73 0.00 0.00 38.32 40.97 1cnp h ASN 85 CO 0.22 1.00 -0.68 -1.61 -1.29 0.00 0.00 177.43 175.07 1cnp s GLU 86 N -2.14 0.64 -0.61 6.67 0.41 -0.53 -5.01 118.70 118.14 1cnp s GLU 86 Ca -0.18 -1.24 -0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1cnp s GLU 86 Cb -0.00 0.20 0.51 0.00 -1.78 0.00 0.00 34.13 33.05 1cnp s GLU 86 CO 0.52 -0.12 2.01 0.00 -0.49 0.00 0.00 175.26 177.18 1cnp n ALA 87 N 0.09 6.14 -2.58 5.21 0.00 -1.26 -3.86 120.51 124.25 1cnp n ALA 87 Ca -0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 53.44 49.98 1cnp n ALA 87 Cb 0.61 -1.69 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cnp n LEU 88 N -0.97 -0.04 -3.42 0.00 4.77 -1.26 -0.75 117.00 115.33 1cnp n LEU 88 Ca 0.62 0.41 -0.14 0.00 -0.03 0.00 0.00 56.01 56.87 1cnp n LEU 88 Cb 0.93 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1cnp n LEU 88 CO 0.75 0.00 -0.15 2.29 -1.33 0.00 0.00 177.39 178.95 1cnp n LYS 89 N -2.54 -0.90 0.00 3.23 2.85 -1.26 -5.21 118.16 114.33 1cnp n LYS 89 Ca 0.01 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1cnp n LYS 89 Cb 0.49 -1.10 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76