#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp n ALA 2 N 0.00 0.00 -1.15 3.17 0.00 -1.26 -4.46 120.51 116.81 1cnp n ALA 2 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1cnp n ALA 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cnp s SER 3 N -1.54 3.54 0.26 0.00 0.01 -1.26 -4.66 113.70 110.05 1cnp s SER 3 Ca 0.00 1.60 -0.03 0.00 1.31 0.00 0.00 55.95 58.83 1cnp s SER 3 Cb 0.00 -2.27 0.54 0.00 0.21 0.00 0.00 66.02 64.50 1cnp s SER 3 CO 0.00 -2.61 1.66 -0.65 0.41 0.00 0.00 173.24 172.05 1cnp h PRO 4 N -1.53 0.20 -0.18 12.44 0.11 -1.99 0.29 132.00 141.34 1cnp h PRO 4 Ca -0.48 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.65 1cnp h PRO 4 Cb 1.27 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1cnp h PRO 4 CO 0.53 0.14 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.85 1cnp h LEU 5 N 0.21 -1.71 -1.92 2.35 -0.00 -1.99 -0.45 115.31 111.80 1cnp h LEU 5 Ca 0.46 0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 58.53 1cnp h LEU 5 Cb 0.85 0.67 -0.00 0.00 -0.00 0.00 0.00 40.66 42.18 1cnp h LEU 5 CO -0.60 -0.47 -0.08 0.44 -0.00 0.00 0.00 178.44 177.73 1cnp h ASP 6 N -0.55 0.00 0.16 -0.43 3.32 -1.24 0.15 116.42 117.83 1cnp h ASP 6 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1cnp h ASP 6 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1cnp h ASP 6 CO -0.46 0.08 -0.08 1.56 -1.72 0.00 0.00 179.24 178.62 1cnp h GLN 7 N 0.00 -0.20 0.21 3.56 4.20 0.20 0.55 115.11 123.62 1cnp h GLN 7 Ca -0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1cnp h GLN 7 Cb 0.15 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1cnp h GLN 7 CO 0.01 0.21 -0.10 0.00 -0.67 0.00 0.00 178.83 178.29 1cnp h ALA 8 N -0.04 -0.28 -0.67 3.87 0.00 -0.72 0.56 119.26 121.99 1cnp h ALA 8 Ca -0.02 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1cnp h ALA 8 Cb 0.51 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1cnp h ALA 8 CO 0.04 -0.66 0.29 0.82 0.00 0.00 0.00 179.25 179.74 1cnp h ILE 9 N -0.28 0.79 -0.20 0.00 1.08 -0.82 -0.12 117.51 117.96 1cnp h ILE 9 Ca -0.03 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.33 1cnp h ILE 9 Cb 0.21 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 34.14 1cnp h ILE 9 CO 0.05 0.09 -0.29 1.23 -0.69 0.00 0.00 178.15 178.54 1cnp h GLY 10 N 0.50 -0.31 0.43 5.37 0.00 0.66 0.38 103.07 110.10 1cnp h GLY 10 Ca 0.34 0.35 0.03 0.00 0.00 0.00 0.00 47.33 48.06 1cnp h GLY 10 CO -0.30 -0.21 -0.23 -2.00 0.00 0.00 0.00 176.54 173.80 1cnp h LEU 11 N -0.32 -0.67 -1.10 3.11 7.12 -0.27 0.89 115.31 124.06 1cnp h LEU 11 Ca 0.12 0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.31 1cnp h LEU 11 Cb 0.51 0.28 -0.07 0.00 -0.53 0.00 0.00 40.66 40.85 1cnp h LEU 11 CO -0.38 -0.29 0.61 -0.07 -0.13 0.00 0.00 178.44 178.18 1cnp h LEU 12 N -0.34 0.92 -0.13 2.25 3.38 -0.27 0.57 115.31 121.69 1cnp h LEU 12 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1cnp h LEU 12 Cb 0.44 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1cnp h LEU 12 CO -0.23 0.56 0.03 0.40 0.09 0.00 0.00 178.44 179.29 1cnp h ILE 13 N 1.03 1.21 -0.15 1.22 2.04 0.23 0.59 117.51 123.67 1cnp h ILE 13 Ca 0.43 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.69 1cnp h ILE 13 Cb 0.29 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 1cnp h ILE 13 CO -0.18 0.19 -0.22 1.23 0.00 0.00 0.00 178.15 179.17 1cnp h GLY 14 N 0.00 -0.19 0.22 5.37 0.00 0.26 0.13 103.07 108.86 1cnp h GLY 14 Ca 0.04 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1cnp h GLY 14 CO 0.00 -0.19 -0.14 -2.22 0.00 0.00 0.00 176.54 173.99 1cnp h ILE 15 N -0.27 0.00 0.00 2.60 1.08 -0.90 -1.87 117.51 118.16 1cnp h ILE 15 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1cnp h ILE 15 Cb 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1cnp h ILE 15 CO -0.31 0.00 0.00 0.33 -0.69 0.00 0.00 178.15 177.48 1cnp n PHE 16 N -3.12 0.00 1.94 1.37 7.35 0.19 -0.76 117.46 124.43 1cnp n PHE 16 Ca -0.04 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.71 1cnp n PHE 16 Cb 0.14 -0.24 0.34 0.00 0.35 0.00 0.00 39.48 40.07 1cnp n PHE 16 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1cnp n HIS 17 N -2.45 0.00 0.26 -5.13 8.25 0.44 -2.21 115.22 114.38 1cnp n HIS 17 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1cnp n HIS 17 Cb 0.00 0.00 0.69 0.00 1.12 0.00 0.00 29.99 31.80 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1cnp h LYS 18 N 0.00 0.00 -1.38 -0.41 3.11 -0.07 -3.21 116.57 114.61 1cnp h LYS 18 Ca 0.00 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.24 1cnp h LYS 18 Cb 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 30.82 1cnp h LYS 18 CO 0.00 0.10 -0.55 0.66 -2.81 0.00 0.00 179.45 176.85 1cnp n TYR 19 N -3.34 3.24 -0.77 1.91 4.02 -0.94 -4.91 117.16 116.37 1cnp n TYR 19 Ca -0.01 -2.86 -0.08 0.00 -0.01 0.00 0.00 57.90 54.95 1cnp n TYR 19 Cb 0.30 -0.27 -0.11 0.00 -0.02 0.00 0.00 39.34 39.24 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1cnp n SER 20 N -0.55 4.74 -1.68 7.72 7.64 -1.22 -4.38 113.62 125.89 1cnp n SER 20 Ca 0.42 -2.35 -0.01 0.00 1.01 0.00 0.00 58.87 57.94 1cnp n SER 20 Cb 0.69 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 1cnp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cnp n GLY 21 N 2.26 -3.57 1.96 0.23 0.00 -1.25 -4.28 105.19 100.53 1cnp n GLY 21 Ca 0.27 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 1cnp n GLY 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cnp n LYS 22 N 0.45 1.30 0.00 1.61 5.02 -1.26 -4.63 118.16 120.64 1cnp n LYS 22 Ca -0.09 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 1cnp n LYS 22 Cb 0.13 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 1cnp n LYS 22 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cnp n GLU 23 N 2.30 0.00 0.09 1.97 -0.00 -1.26 -5.05 120.64 118.68 1cnp n GLU 23 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 57.27 1cnp n GLU 23 Cb 0.61 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.94 1cnp n GLU 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1cnp h GLY 24 N 0.00 0.20 -6.45 -1.84 0.00 -1.95 -3.42 103.07 89.61 1cnp h GLY 24 Ca 0.00 -0.47 -0.62 0.00 0.00 0.00 0.00 47.33 46.24 1cnp h GLY 24 CO 0.00 0.42 1.32 1.34 0.00 0.00 0.00 176.54 179.62 1cnp n ASP 25 N -3.50 3.08 -2.25 0.19 2.03 -1.26 -4.81 116.55 110.02 1cnp n ASP 25 Ca -0.05 0.58 -0.18 0.00 0.52 0.00 0.00 54.79 55.66 1cnp n ASP 25 Cb 0.96 -1.41 0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1cnp n ASP 25 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cnp n LYS 26 N 7.79 3.10 0.00 -0.67 4.76 -1.26 -3.84 118.16 128.04 1cnp n LYS 26 Ca 0.30 -4.00 0.00 0.00 -2.87 0.00 0.00 58.31 51.74 1cnp n LYS 26 Cb 0.33 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 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 -0.66 0.00 -2.30 2.13 1.44 -1.26 -5.07 115.22 109.49 1cnp n HIS 27 Ca 0.34 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1cnp n HIS 27 Cb 0.91 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.02 1cnp n HIS 27 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1cnp n THR 28 N -0.96 0.00 -3.85 0.61 -2.24 -1.26 -4.93 114.28 101.65 1cnp n THR 28 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1cnp n THR 28 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1cnp n THR 28 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cnp s LEU 29 N 0.00 4.81 -0.52 3.22 1.02 -1.03 -4.12 118.68 122.06 1cnp s LEU 29 Ca 0.00 -3.30 -0.15 0.00 0.02 0.00 0.00 54.13 50.70 1cnp s LEU 29 Cb 0.00 -1.72 -0.14 0.00 0.02 0.00 0.00 46.19 44.35 1cnp s LEU 29 CO 0.00 -0.21 1.54 -0.24 0.02 0.00 0.00 176.35 177.46 1cnp n SER 30 N 2.78 -0.20 0.00 2.29 2.88 -1.26 -4.42 113.62 115.68 1cnp n SER 30 Ca 0.12 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.72 1cnp n SER 30 Cb 0.35 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1cnp n SER 30 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1cnp n LYS 31 N 6.38 0.00 -0.17 -1.46 5.02 -1.26 -1.22 118.16 125.45 1cnp n LYS 31 Ca 0.22 0.00 0.21 0.00 -2.02 0.00 0.00 58.31 56.72 1cnp n LYS 31 Cb 0.47 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.07 1cnp n LYS 31 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1cnp h LYS 32 N 0.00 0.23 -0.19 1.97 5.09 -1.99 0.34 116.57 122.02 1cnp h LYS 32 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 60.65 60.78 1cnp h LYS 32 Cb 0.00 -0.05 -0.07 0.00 0.10 0.00 0.00 32.23 32.21 1cnp h LYS 32 CO 0.00 0.15 -0.38 0.93 -2.09 0.00 0.00 179.45 178.06 1cnp h GLU 33 N 0.24 -0.41 0.00 0.07 4.39 -1.44 -1.59 114.58 115.84 1cnp h GLU 33 Ca 0.40 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 1cnp h GLU 33 Cb 1.20 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1cnp h GLU 33 CO -0.09 -0.27 -0.29 1.25 -1.16 0.00 0.00 179.01 178.45 1cnp h LEU 34 N -0.42 0.00 -0.48 1.33 6.46 -0.71 -2.33 115.31 119.16 1cnp h LEU 34 Ca 0.10 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 1cnp h LEU 34 Cb 0.59 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1cnp h LEU 34 CO -0.42 0.29 0.07 0.11 -0.62 0.00 0.00 178.44 177.86 1cnp h LYS 35 N 0.00 0.80 -0.59 1.25 1.79 -0.15 0.16 116.57 119.83 1cnp h LYS 35 Ca -0.00 -0.22 0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1cnp h LYS 35 Cb 0.72 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 1cnp h LYS 35 CO 0.04 0.81 0.39 1.49 -1.08 0.00 0.00 179.45 181.10 1cnp h GLU 36 N 0.67 0.40 0.00 3.15 4.81 -0.78 -3.19 114.58 119.63 1cnp h GLU 36 Ca 0.14 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1cnp h GLU 36 Cb 0.41 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1cnp h GLU 36 CO 0.01 0.26 0.00 -0.11 -0.73 0.00 0.00 179.01 178.45 1cnp n LEU 37 N -4.47 0.99 -0.28 1.64 0.00 -0.86 -4.30 117.00 109.72 1cnp n LEU 37 Ca 0.09 0.42 0.04 0.00 0.00 0.00 0.00 56.01 56.57 1cnp n LEU 37 Cb 0.36 -0.25 0.13 0.00 0.00 0.00 0.00 43.42 43.66 1cnp n LEU 37 CO 0.34 -0.25 0.73 -0.29 0.00 0.00 0.00 177.39 177.93 1cnp h ILE 38 N 0.00 0.20 -0.08 1.96 2.10 -0.75 -0.01 117.51 120.93 1cnp h ILE 38 Ca 0.00 -0.01 0.01 0.00 1.08 0.00 0.00 64.86 65.94 1cnp h ILE 38 Cb 0.00 0.18 -0.00 0.00 -1.09 0.00 0.00 36.82 35.91 1cnp h ILE 38 CO 0.00 0.00 0.05 -0.61 -1.08 0.00 0.00 178.15 176.52 1cnp h GLN 39 N 0.02 0.05 0.00 2.19 4.15 -1.78 -3.40 115.11 116.33 1cnp h GLN 39 Ca 0.41 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.83 1cnp h GLN 39 Cb 0.68 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1cnp h GLN 39 CO -0.81 0.03 0.00 1.17 -1.93 0.00 0.00 178.83 177.29 1cnp n LYS 40 N -4.52 0.00 -0.01 1.69 4.81 -0.02 -4.70 118.16 115.40 1cnp n LYS 40 Ca -0.01 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.22 1cnp n LYS 40 Cb 0.13 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.04 1cnp n LYS 40 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1cnp h GLU 41 N 0.00 0.18 -0.42 1.64 9.09 -1.77 -3.20 114.58 120.11 1cnp h GLU 41 Ca 0.00 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 59.10 1cnp h GLU 41 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1cnp h GLU 41 CO 0.00 1.15 0.00 1.47 0.05 0.00 0.00 179.01 181.68 1cnp n LEU 42 N -4.12 0.42 0.00 3.06 -0.00 -1.26 -4.47 117.00 110.62 1cnp n LEU 42 Ca -0.22 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 1cnp n LEU 42 Cb 0.80 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1cnp n LEU 42 CO 0.38 0.10 0.00 1.07 -0.00 0.00 0.00 177.39 178.94 1cnp n THR 43 N 0.29 0.00 -1.81 1.47 5.66 -1.26 -5.02 114.28 113.62 1cnp n THR 43 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1cnp n THR 43 Cb 0.10 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1cnp n THR 43 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1cnp n ILE 44 N 0.00 3.64 -0.94 1.09 5.41 -1.26 -4.79 119.36 122.51 1cnp n ILE 44 Ca 0.00 -3.21 0.12 0.00 1.00 0.00 0.00 62.75 60.65 1cnp n ILE 44 Cb 0.00 -2.57 -0.05 0.00 -0.71 0.00 0.00 39.64 36.31 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 3.86 -2.76 0.93 7.39 0.00 -1.26 -0.91 105.19 112.43 1cnp n GLY 45 Ca 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cnp n SER 46 N -3.61 1.92 0.00 1.61 7.64 -1.21 -3.99 113.62 115.98 1cnp n SER 46 Ca -0.04 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1cnp n SER 46 Cb 0.44 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cnp n LYS 47 N 0.57 0.00 -0.27 1.43 4.76 -1.26 -4.98 118.16 118.41 1cnp n LYS 47 Ca 0.00 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 1cnp n LYS 47 Cb 0.33 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.49 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1cnp n LEU 48 N 0.00 -0.60 -2.86 -0.35 0.00 -1.18 -0.91 117.00 111.10 1cnp n LEU 48 Ca 0.00 1.18 -0.14 0.00 0.00 0.00 0.00 56.01 57.05 1cnp n LEU 48 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 43.42 43.23 1cnp n LEU 48 CO 0.00 -1.00 -0.13 1.67 0.00 0.00 0.00 177.39 177.93 1cnp n GLN 49 N -4.89 1.30 -4.55 1.96 7.27 -0.09 -5.04 117.38 113.34 1cnp n GLN 49 Ca 0.03 -3.44 -0.30 0.00 0.07 0.00 0.00 57.00 53.37 1cnp n GLN 49 Cb 0.21 -1.52 -0.13 0.00 2.41 0.00 0.00 30.24 31.22 1cnp n GLN 49 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1cnp s ASP 50 N -2.90 3.63 0.03 1.69 2.15 -0.09 -4.44 116.67 116.74 1cnp s ASP 50 Ca 0.34 -0.55 0.02 0.00 0.43 0.00 0.00 52.55 52.78 1cnp s ASP 50 Cb 0.41 -0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 42.55 1cnp s ASP 50 CO -0.03 0.22 -0.07 0.00 -0.17 0.00 0.00 175.17 175.13 1cnp s ALA 51 N -0.99 0.48 0.40 3.66 0.00 -1.26 -4.72 121.76 119.33 1cnp s ALA 51 Ca 0.15 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.57 1cnp s ALA 51 Cb -0.10 0.03 0.84 0.00 0.00 0.00 0.00 23.12 23.89 1cnp s ALA 51 CO 0.06 -0.02 1.94 0.93 0.00 0.00 0.00 175.76 178.67 1cnp h GLU 52 N 4.78 0.19 -0.73 0.00 4.39 -2.00 0.33 114.58 121.54 1cnp h GLU 52 Ca -0.34 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.42 1cnp h GLU 52 Cb 1.20 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1cnp h GLU 52 CO 0.42 0.33 0.48 -0.84 -1.16 0.00 0.00 179.01 178.24 1cnp h ILE 53 N 0.18 0.91 0.18 3.13 3.07 -1.98 0.14 117.51 123.14 1cnp h ILE 53 Ca 0.04 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 66.23 1cnp h ILE 53 Cb 0.34 0.26 0.00 0.00 -0.27 0.00 0.00 36.82 37.16 1cnp h ILE 53 CO 0.02 0.11 -0.08 0.58 -1.05 0.00 0.00 178.15 177.72 1cnp h VAL 54 N 0.60 0.93 -0.61 0.16 2.07 -0.75 -2.71 116.25 115.94 1cnp h VAL 54 Ca 0.34 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1cnp h VAL 54 Cb 0.52 1.29 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 1cnp h VAL 54 CO -0.12 0.13 0.18 0.11 0.02 0.00 0.00 177.57 177.89 1cnp h LYS 55 N -0.53 0.32 -0.10 1.57 1.57 -1.01 0.15 116.57 118.54 1cnp h LYS 55 Ca -0.02 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1cnp h LYS 55 Cb 0.40 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1cnp h LYS 55 CO 0.04 0.21 0.07 -0.07 -0.57 0.00 0.00 179.45 179.13 1cnp h LEU 56 N 0.33 0.05 0.07 2.94 3.38 -0.70 0.27 115.31 121.65 1cnp h LEU 56 Ca 0.32 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 1cnp h LEU 56 Cb 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cnp h LEU 56 CO -0.36 0.04 -0.03 0.24 0.09 0.00 0.00 178.44 178.41 1cnp h MET 57 N 0.06 -0.09 0.00 1.13 2.86 -0.73 -3.38 114.93 114.77 1cnp h MET 57 Ca 0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1cnp h MET 57 Cb 0.10 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1cnp h MET 57 CO -0.00 0.20 0.00 0.22 1.06 0.00 0.00 176.91 178.38 1cnp h ASP 58 N -1.00 0.00 0.00 1.22 3.58 -0.37 0.12 116.42 119.96 1cnp h ASP 58 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1cnp h ASP 58 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1cnp h ASP 58 CO 0.02 0.00 0.01 -0.67 -2.88 0.00 0.00 179.24 175.72 1cnp n ASP 59 N -2.35 0.00 -0.20 2.28 2.03 0.92 -3.82 116.55 115.41 1cnp n ASP 59 Ca 0.01 0.27 0.16 0.00 0.52 0.00 0.00 54.79 55.75 1cnp n ASP 59 Cb 0.17 -0.27 0.26 0.00 -0.72 0.00 0.00 41.12 40.55 1cnp n ASP 59 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1cnp n LEU 60 N -1.27 0.04 -0.57 -2.67 4.77 0.40 -0.03 117.00 117.67 1cnp n LEU 60 Ca 0.00 0.42 0.46 0.00 -0.03 0.00 0.00 56.01 56.86 1cnp n LEU 60 Cb 0.01 -0.21 0.77 0.00 -2.33 0.00 0.00 43.42 41.67 1cnp n LEU 60 CO 0.00 -0.44 1.40 -0.78 -1.33 0.00 0.00 177.39 176.24 1cnp h ASP 61 N 0.00 0.05 -0.82 -1.43 3.58 -1.87 0.16 116.42 116.09 1cnp h ASP 61 Ca 0.32 0.03 0.14 0.00 0.42 0.00 0.00 57.03 57.94 1cnp h ASP 61 Cb 1.14 0.03 -0.14 0.00 1.72 0.00 0.00 39.33 42.07 1cnp h ASP 61 CO -0.09 -0.04 -0.26 -1.14 -2.88 0.00 0.00 179.24 174.83 1cnp n ARG 62 N -4.15 -0.13 0.00 0.28 0.63 0.96 -4.27 116.66 109.98 1cnp n ARG 62 Ca 0.39 1.27 0.00 0.00 -0.92 0.00 0.00 57.85 58.59 1cnp n ARG 62 Cb 1.74 -1.89 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1cnp n ARG 62 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1cnp n ASN 63 N -5.27 0.00 -4.70 6.15 5.15 0.54 -4.55 115.26 112.58 1cnp n ASN 63 Ca 0.11 0.03 -0.40 0.00 -0.60 0.00 0.00 54.58 53.72 1cnp n ASN 63 Cb 0.37 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.57 1cnp n ASN 63 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1cnp s LYS 64 N -0.14 4.37 0.00 1.20 0.00 -1.26 -4.77 119.74 119.14 1cnp s LYS 64 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 55.97 56.74 1cnp s LYS 64 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 37.83 34.35 1cnp s LYS 64 CO 0.00 -0.00 0.00 -3.47 0.00 0.00 0.00 175.35 171.88 1cnp n ASP 65 N 4.09 0.00 0.00 0.03 2.03 -1.26 -4.21 116.55 117.23 1cnp n ASP 65 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1cnp n ASP 65 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n GLN 66 N -0.01 0.00 -1.01 -0.67 10.64 -1.26 -4.82 117.38 120.24 1cnp n GLN 66 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 1cnp n GLN 66 Cb 0.00 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.48 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1cnp n GLU 67 N 0.00 -0.01 -2.95 2.61 -0.58 -1.26 -4.72 120.64 113.74 1cnp n GLU 67 Ca 0.00 0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.78 1cnp n GLU 67 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 28.98 1cnp n GLU 67 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1cnp s VAL 68 N -2.17 -0.86 0.81 2.62 0.11 -1.26 -4.89 120.40 114.75 1cnp s VAL 68 Ca 0.62 -0.41 -0.10 0.00 -2.93 0.00 0.00 61.98 59.15 1cnp s VAL 68 Cb -0.27 0.00 0.11 0.00 -1.53 0.00 0.00 36.38 34.69 1cnp s VAL 68 CO 0.62 0.00 1.14 0.21 -3.33 0.00 0.00 175.10 173.75 1cnp s ASN 69 N 1.40 4.20 0.19 3.54 3.84 -1.26 -2.48 114.94 124.37 1cnp s ASN 69 Ca 0.22 0.41 -0.19 0.00 0.21 0.00 0.00 52.86 53.51 1cnp s ASN 69 Cb -0.00 -0.81 0.14 0.00 -0.55 0.00 0.00 41.25 40.02 1cnp s ASN 69 CO -0.07 -2.03 1.61 0.15 -2.79 0.00 0.00 177.10 173.97 1cnp h PHE 70 N -1.01 -0.63 -0.72 0.43 3.57 -1.98 0.13 116.94 116.73 1cnp h PHE 70 Ca -0.44 0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.28 1cnp h PHE 70 Cb 1.29 0.36 -0.12 0.00 2.79 0.00 0.00 35.95 40.27 1cnp h PHE 70 CO -0.15 -0.33 0.04 0.37 -2.23 0.00 0.00 178.31 176.02 1cnp h GLN 71 N -0.13 0.14 0.17 1.11 -0.00 -2.00 0.13 115.11 114.54 1cnp h GLN 71 Ca 0.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.87 1cnp h GLN 71 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1cnp h GLN 71 CO -0.59 0.09 -0.08 0.93 0.00 0.00 0.00 178.83 179.17 1cnp h GLU 72 N 0.14 -0.22 -0.90 1.69 5.08 -1.26 -3.20 114.58 115.91 1cnp h GLU 72 Ca 0.39 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 59.01 1cnp h GLU 72 Cb 0.68 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 1cnp h GLU 72 CO -0.60 0.20 0.17 -0.92 -1.00 0.00 0.00 179.01 176.86 1cnp h TYR 73 N -0.80 0.22 -0.01 4.33 3.20 -0.42 -0.18 116.97 123.31 1cnp h TYR 73 Ca -0.02 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1cnp h TYR 73 Cb 0.52 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 1cnp h TYR 73 CO 0.08 -0.29 -0.03 0.82 -1.64 0.00 0.00 178.16 177.10 1cnp h ILE 74 N 0.13 1.03 0.11 1.81 1.08 -0.74 -3.28 117.51 117.66 1cnp h ILE 74 Ca 0.56 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.91 1cnp h ILE 74 Cb 1.15 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1cnp h ILE 74 CO -0.73 0.04 -0.25 0.71 -0.69 0.00 0.00 178.15 177.23 1cnp h THR 75 N 0.02 0.44 -0.48 -0.27 1.35 -1.08 0.17 112.91 113.05 1cnp h THR 75 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1cnp h THR 75 Cb 0.07 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 66.91 1cnp h THR 75 CO 0.00 0.00 0.13 2.19 -0.25 0.00 0.00 175.52 177.60 1cnp h PHE 76 N -0.46 0.79 -0.37 4.73 -5.15 -1.73 0.38 116.94 115.14 1cnp h PHE 76 Ca 0.03 -0.09 0.07 0.00 -0.20 0.00 0.00 57.97 57.79 1cnp h PHE 76 Cb 0.48 -0.23 -0.07 0.00 0.22 0.00 0.00 35.95 36.36 1cnp h PHE 76 CO -0.24 0.71 -0.07 -0.07 -2.00 0.00 0.00 178.31 176.64 1cnp h LEU 77 N 0.65 -0.30 -0.35 2.10 3.38 -1.56 0.18 115.31 119.41 1cnp h LEU 77 Ca 0.15 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1cnp h LEU 77 Cb 0.30 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1cnp h LEU 77 CO -0.00 -0.11 -0.09 1.23 0.09 0.00 0.00 178.44 179.56 1cnp h GLY 78 N 0.02 0.25 0.74 0.83 0.00 -0.13 0.15 103.07 104.93 1cnp h GLY 78 Ca 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1cnp h GLY 78 CO -0.36 -0.14 -0.35 0.00 0.00 0.00 0.00 176.54 175.69 1cnp h ALA 79 N 1.34 -0.81 -0.99 3.60 0.00 -0.19 -3.05 119.26 119.16 1cnp h ALA 79 Ca 0.17 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1cnp h ALA 79 Cb 0.26 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1cnp h ALA 79 CO -0.36 -0.98 0.61 1.25 0.00 0.00 0.00 179.25 179.77 1cnp h LEU 80 N -0.79 0.88 -0.68 0.00 5.85 -0.36 -1.61 115.31 118.60 1cnp h LEU 80 Ca -0.05 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.87 1cnp h LEU 80 Cb 0.67 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.46 1cnp h LEU 80 CO 0.00 0.46 -0.13 0.00 -0.34 0.00 0.00 178.44 178.43 1cnp h ALA 81 N 1.54 0.51 0.00 1.25 0.00 -0.59 0.29 119.26 122.25 1cnp h ALA 81 Ca 0.50 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1cnp h ALA 81 Cb 0.52 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cnp h ALA 81 CO -0.28 -0.42 0.00 -1.33 0.00 0.00 0.00 179.25 177.22 1cnp n MET 82 N -5.42 0.14 0.00 0.00 2.81 -0.61 -0.40 117.12 113.64 1cnp n MET 82 Ca 0.09 0.44 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 1cnp n MET 82 Cb 0.37 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1cnp n MET 82 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1cnp n ILE 83 N -2.08 0.00 0.09 2.02 5.41 0.72 -4.58 119.36 120.93 1cnp n ILE 83 Ca 0.01 0.43 -0.07 0.00 1.00 0.00 0.00 62.75 64.13 1cnp n ILE 83 Cb 0.17 -1.37 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 1cnp h TYR 84 N 0.00 0.14 -0.48 1.39 -0.00 -0.75 -3.24 116.97 114.03 1cnp h TYR 84 Ca 0.00 -0.09 -0.11 0.00 -0.00 0.00 0.00 58.73 58.53 1cnp h TYR 84 Cb 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 36.73 36.65 1cnp h TYR 84 CO 0.00 0.94 0.14 -1.71 -0.00 0.00 0.00 178.16 177.53 1cnp n ASN 85 N -3.56 3.97 -4.43 0.10 4.05 0.47 -5.02 115.26 110.84 1cnp n ASN 85 Ca -0.02 -2.77 -0.47 0.00 0.45 0.00 0.00 54.58 51.77 1cnp n ASN 85 Cb 0.84 -0.66 -0.03 0.00 1.23 0.00 0.00 39.78 41.16 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1cnp n GLU 86 N 0.10 0.21 0.00 1.20 4.07 -1.23 -4.31 120.64 120.68 1cnp n GLU 86 Ca 0.25 0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1cnp n GLU 86 Cb 1.02 -1.13 0.00 0.00 -0.06 0.00 0.00 31.44 31.26 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cnp n ALA 87 N 0.02 0.00 -0.36 4.31 0.00 -1.26 -4.95 120.51 118.28 1cnp n ALA 87 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1cnp n ALA 87 Cb 0.26 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.88 1cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cnp h LEU 88 N 0.00 1.05 0.00 0.00 4.07 -1.91 -3.25 115.31 115.27 1cnp h LEU 88 Ca 0.00 -0.01 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 1cnp h LEU 88 Cb 0.00 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.45 1cnp h LEU 88 CO 0.00 0.71 -2.22 0.29 -1.08 0.00 0.00 178.44 176.14 1cnp n LYS 89 N -4.46 0.50 -0.24 1.13 5.02 -1.26 -5.11 118.16 113.74 1cnp n LYS 89 Ca 0.14 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1cnp n LYS 89 Cb 0.12 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29