#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 6.10 -3.65 3.17 0.00 -1.26 -4.15 120.51 120.72 1cnp n ALA 2 Ca 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 53.44 51.78 1cnp n ALA 2 Cb 0.00 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.23 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 1.96 -0.35 0.19 0.00 0.01 -1.26 -5.04 113.70 109.21 1cnp s SER 3 Ca 0.59 0.56 -0.20 0.00 1.31 0.00 0.00 55.95 58.21 1cnp s SER 3 Cb 0.28 1.08 0.14 0.00 0.21 0.00 0.00 66.02 67.74 1cnp s SER 3 CO -0.00 -0.09 1.58 -0.65 0.41 0.00 0.00 173.24 174.48 1cnp h PRO 4 N 5.52 -0.13 -0.16 12.44 0.11 -1.99 0.15 132.00 147.95 1cnp h PRO 4 Ca -0.28 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1cnp h PRO 4 Cb 1.18 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1cnp h PRO 4 CO 0.20 -0.09 0.07 -0.07 -0.21 0.00 0.00 178.00 177.91 1cnp h LEU 5 N -0.13 0.21 -1.10 2.35 3.38 -1.98 0.15 115.31 118.19 1cnp h LEU 5 Ca 0.25 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1cnp h LEU 5 Cb 0.56 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1cnp h LEU 5 CO -0.74 0.28 0.61 -0.78 0.09 0.00 0.00 178.44 177.90 1cnp h ASP 6 N 0.13 1.05 -0.23 -0.43 3.58 -1.74 -0.06 116.42 118.71 1cnp h ASP 6 Ca 0.05 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1cnp h ASP 6 Cb 0.13 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1cnp h ASP 6 CO -0.01 0.75 0.04 -0.61 -2.88 0.00 0.00 179.24 176.53 1cnp h GLN 7 N 1.23 0.38 0.66 0.28 4.15 -0.39 0.49 115.11 121.92 1cnp h GLN 7 Ca 0.34 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 1cnp h GLN 7 Cb -0.12 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 1cnp h GLN 7 CO -0.08 0.52 -0.40 0.00 -1.93 0.00 0.00 178.83 176.93 1cnp h ALA 8 N 0.84 -1.21 -0.76 3.38 0.00 -0.00 -0.13 119.26 121.38 1cnp h ALA 8 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cnp h ALA 8 Cb 0.32 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1cnp h ALA 8 CO 0.00 -1.17 0.50 0.82 0.00 0.00 0.00 179.25 179.40 1cnp h ILE 9 N -0.99 1.09 -1.11 0.00 2.04 -1.13 -0.17 117.51 117.24 1cnp h ILE 9 Ca -0.09 -0.30 0.31 0.00 1.00 0.00 0.00 64.86 65.78 1cnp h ILE 9 Cb 0.79 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.91 1cnp h ILE 9 CO 0.09 0.16 0.73 1.23 0.00 0.00 0.00 178.15 180.37 1cnp h GLY 10 N 0.88 1.00 1.33 5.37 0.00 0.70 0.18 103.07 112.53 1cnp h GLY 10 Ca 0.31 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1cnp h GLY 10 CO -0.10 -0.15 0.36 1.41 0.00 0.00 0.00 176.54 178.06 1cnp h LEU 11 N 0.27 0.50 0.69 3.11 3.38 0.83 0.50 115.31 124.60 1cnp h LEU 11 Ca 0.63 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.56 1cnp h LEU 11 Cb 1.82 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.47 1cnp h LEU 11 CO -0.26 0.34 -0.33 -0.07 0.09 0.00 0.00 178.44 178.21 1cnp h LEU 12 N 0.58 -0.78 -1.17 1.67 4.07 -0.76 0.11 115.31 119.04 1cnp h LEU 12 Ca 0.22 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.09 1cnp h LEU 12 Cb 0.15 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1cnp h LEU 12 CO -0.06 -0.46 -0.41 0.40 -1.08 0.00 0.00 178.44 176.83 1cnp h ILE 13 N -1.10 1.27 0.65 1.22 2.04 -1.61 -3.19 117.51 116.78 1cnp h ILE 13 Ca -0.09 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 1cnp h ILE 13 Cb 0.74 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1cnp h ILE 13 CO 0.16 0.40 -0.35 1.23 0.00 0.00 0.00 178.15 179.59 1cnp h GLY 14 N 1.29 -1.04 0.24 5.37 0.00 0.37 0.14 103.07 109.44 1cnp h GLY 14 Ca -0.00 0.41 0.11 0.00 0.00 0.00 0.00 47.33 47.84 1cnp h GLY 14 CO 0.05 -0.36 0.20 -2.22 0.00 0.00 0.00 176.54 174.21 1cnp h ILE 15 N -0.92 0.69 0.00 2.60 2.04 -0.88 0.53 117.51 121.56 1cnp h ILE 15 Ca -0.09 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1cnp h ILE 15 Cb 0.72 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1cnp h ILE 15 CO 0.12 0.06 0.00 0.33 0.00 0.00 0.00 178.15 178.66 1cnp n PHE 16 N -5.06 0.00 1.95 1.37 7.35 -1.16 -3.41 117.46 118.51 1cnp n PHE 16 Ca 0.10 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.95 1cnp n PHE 16 Cb 0.33 -0.30 0.93 0.00 0.35 0.00 0.00 39.48 40.78 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 -1.82 0.00 -0.02 -5.13 8.25 0.48 -3.06 115.22 113.92 1cnp n HIS 17 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1cnp n HIS 17 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.30 0.00 -0.41 3.64 0.03 -1.60 116.57 117.93 1cnp h LYS 18 Ca 0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1cnp h LYS 18 Cb 0.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1cnp h LYS 18 CO 0.00 -0.20 -0.29 1.88 -2.27 0.00 0.00 179.45 178.57 1cnp h TYR 19 N -0.31 0.00 0.00 1.91 0.05 -1.67 0.48 116.97 117.42 1cnp h TYR 19 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1cnp h TYR 19 Cb 0.49 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1cnp h TYR 19 CO -0.38 0.29 0.00 0.43 -1.05 0.00 0.00 178.16 177.45 1cnp n SER 20 N -3.79 0.00 -0.34 3.88 7.64 -0.79 -4.18 113.62 116.04 1cnp n SER 20 Ca -0.01 -0.04 0.19 0.00 1.01 0.00 0.00 58.87 60.01 1cnp n SER 20 Cb 0.38 -0.28 0.42 0.00 -1.01 0.00 0.00 64.21 63.73 1cnp n SER 20 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1cnp h GLY 21 N 3.60 1.62 1.74 0.23 0.00 0.04 0.30 103.07 110.61 1cnp h GLY 21 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1cnp h GLY 21 CO 0.00 -0.17 0.13 0.07 0.00 0.00 0.00 176.54 176.56 1cnp h LYS 22 N 0.54 0.15 0.03 4.80 2.10 -1.80 -1.66 116.57 120.74 1cnp h LYS 22 Ca 0.61 -0.01 -0.30 0.00 -2.00 0.00 0.00 60.65 58.95 1cnp h LYS 22 Cb 1.27 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 1cnp h LYS 22 CO -0.39 0.10 -1.73 0.93 -2.00 0.00 0.00 179.45 176.36 1cnp h GLU 23 N 0.15 0.07 0.00 0.07 3.07 -0.88 -3.48 114.58 113.57 1cnp h GLU 23 Ca 0.08 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1cnp h GLU 23 Cb 0.12 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1cnp h GLU 23 CO -0.01 0.69 0.00 0.41 -1.40 0.00 0.00 179.01 178.70 1cnp n GLY 24 N 1.64 1.16 3.46 -3.84 0.00 0.62 -4.97 105.19 103.26 1cnp n GLY 24 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1cnp n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cnp n ASP 25 N 2.32 -1.18 0.09 1.61 2.03 -1.26 -4.85 116.55 115.31 1cnp n ASP 25 Ca 0.00 0.64 0.06 0.00 0.52 0.00 0.00 54.79 56.01 1cnp n ASP 25 Cb 0.00 -1.20 0.33 0.00 -0.72 0.00 0.00 41.12 39.53 1cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cnp n LYS 26 N -0.47 0.08 0.00 -0.67 -0.00 -1.26 -4.57 118.16 111.27 1cnp n LYS 26 Ca 0.10 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 1cnp n LYS 26 Cb 0.49 -1.75 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1cnp n HIS 27 N -1.91 0.00 -3.96 5.58 1.44 -1.26 -5.04 115.22 110.06 1cnp n HIS 27 Ca -0.01 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 1cnp n HIS 27 Cb 0.03 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.10 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 0.00 0.00 -0.07 0.61 -4.23 -1.26 -4.75 115.64 105.94 1cnp s THR 28 Ca 0.00 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1cnp s THR 28 Cb 0.00 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1cnp s THR 28 CO 0.00 0.00 0.07 -1.48 -0.54 0.00 0.00 174.62 172.67 1cnp s LEU 29 N -3.02 3.95 -0.16 4.79 0.05 -0.72 -4.65 118.68 118.92 1cnp s LEU 29 Ca 0.20 0.25 -0.04 0.00 0.05 0.00 0.00 54.13 54.59 1cnp s LEU 29 Cb -0.02 -2.07 -0.07 0.00 -2.05 0.00 0.00 46.19 41.98 1cnp s LEU 29 CO 0.10 0.35 2.86 -1.54 -0.55 0.00 0.00 176.35 177.57 1cnp n SER 30 N 1.73 5.74 0.00 1.48 3.41 -1.26 -0.63 113.62 124.09 1cnp n SER 30 Ca -0.17 -2.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1cnp n SER 30 Cb 0.54 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1cnp n SER 30 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1cnp n LYS 31 N 1.59 0.00 -0.10 4.33 -0.00 -1.26 -4.36 118.16 118.36 1cnp n LYS 31 Ca 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.58 1cnp n LYS 31 Cb 0.70 -0.07 0.01 0.00 -0.00 0.00 0.00 35.03 35.66 1cnp n LYS 31 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1cnp h LYS 32 N 0.00 0.33 -0.78 -1.58 6.56 -1.96 0.55 116.57 119.69 1cnp h LYS 32 Ca 0.00 -0.02 0.23 0.00 -1.06 0.00 0.00 60.65 59.80 1cnp h LYS 32 Cb 0.00 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.55 1cnp h LYS 32 CO 0.00 0.22 0.59 0.93 -2.06 0.00 0.00 179.45 179.13 1cnp h GLU 33 N 0.34 0.00 -0.72 3.15 3.07 -1.94 0.14 114.58 118.61 1cnp h GLU 33 Ca 0.15 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1cnp h GLU 33 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.94 1cnp h GLU 33 CO -0.11 0.00 0.48 1.25 -1.40 0.00 0.00 179.01 179.23 1cnp h LEU 34 N 0.00 0.81 -1.20 1.33 6.46 -1.24 0.11 115.31 121.59 1cnp h LEU 34 Ca 0.37 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1cnp h LEU 34 Cb 1.56 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 1cnp h LEU 34 CO -0.00 0.58 0.00 0.11 -0.62 0.00 0.00 178.44 178.51 1cnp h LYS 35 N 0.96 0.00 0.08 1.25 1.79 -0.77 0.42 116.57 120.29 1cnp h LYS 35 Ca 0.27 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.42 1cnp h LYS 35 Cb -0.07 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 1cnp h LYS 35 CO -0.06 0.00 -1.77 -1.91 -1.08 0.00 0.00 179.45 174.62 1cnp n GLU 36 N -2.42 0.69 -0.07 3.15 4.07 0.14 -4.02 120.64 122.16 1cnp n GLU 36 Ca 0.00 0.37 -0.09 0.00 -0.06 0.00 0.00 57.16 57.38 1cnp n GLU 36 Cb 0.17 -1.71 -0.03 0.00 -0.06 0.00 0.00 31.44 29.81 1cnp n GLU 36 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1cnp h LEU 37 N -0.33 -1.09 -0.53 4.31 6.46 -0.57 -2.90 115.31 120.66 1cnp h LEU 37 Ca -0.41 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.59 1cnp h LEU 37 Cb 1.77 0.49 -0.06 0.00 -0.73 0.00 0.00 40.66 42.13 1cnp h LEU 37 CO -0.03 -0.34 0.21 -0.29 -0.62 0.00 0.00 178.44 177.37 1cnp h ILE 38 N -0.32 0.85 0.68 4.05 2.10 -1.11 -0.25 117.51 123.51 1cnp h ILE 38 Ca 0.14 -0.14 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 1cnp h ILE 38 Cb 0.55 0.40 -0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1cnp h ILE 38 CO -0.47 0.07 -0.38 1.56 -1.08 0.00 0.00 178.15 177.85 1cnp h GLN 39 N 0.41 -0.95 0.00 2.19 1.08 -1.65 -3.03 115.11 113.16 1cnp h GLN 39 Ca 0.25 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1cnp h GLN 39 Cb 0.25 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1cnp h GLN 39 CO -0.24 -0.63 -0.30 1.63 -0.95 0.00 0.00 178.83 178.34 1cnp n LYS 40 N -5.53 0.24 -0.17 1.46 5.02 -1.18 -3.97 118.16 114.04 1cnp n LYS 40 Ca -0.13 0.36 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1cnp n LYS 40 Cb 0.41 -1.21 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cnp h GLU 41 N -0.53 0.67 -0.49 1.97 3.07 -1.28 0.13 114.58 118.13 1cnp h GLU 41 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1cnp h GLU 41 Cb 0.30 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1cnp h GLU 41 CO 0.00 0.48 0.00 1.28 -1.40 0.00 0.00 179.01 179.37 1cnp n LEU 42 N -4.71 0.49 0.00 1.33 4.77 -0.60 -4.92 117.00 113.36 1cnp n LEU 42 Ca 0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1cnp n LEU 42 Cb 0.05 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1cnp n LEU 42 CO 0.35 0.12 0.00 0.41 -1.33 0.00 0.00 177.39 176.95 1cnp n THR 43 N -0.25 0.00 0.00 -5.08 -1.04 0.45 -4.79 114.28 103.57 1cnp n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1cnp n THR 43 Cb 0.12 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 0.00 0.00 0.00 12.58 5.41 -1.26 -4.73 119.36 131.36 1cnp n ILE 44 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1cnp n ILE 44 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 0.82 0.25 7.39 0.00 -1.26 -0.73 105.19 111.66 1cnp n GLY 45 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 46.02 46.71 1cnp n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cnp h SER 46 N 0.00 0.33 -0.25 1.61 4.64 -1.93 -3.32 113.55 114.62 1cnp h SER 46 Ca 0.00 -0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 61.01 1cnp h SER 46 Cb 0.00 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 61.92 1cnp h SER 46 CO 0.00 0.48 -0.15 0.29 -0.87 0.00 0.00 176.83 176.59 1cnp n LYS 47 N -4.25 1.96 -0.66 4.77 4.76 0.09 -4.74 118.16 120.10 1cnp n LYS 47 Ca -0.00 -1.20 -0.05 0.00 -2.87 0.00 0.00 58.31 54.19 1cnp n LYS 47 Cb 0.29 -1.90 -0.07 0.00 -1.84 0.00 0.00 35.03 31.50 1cnp n LYS 47 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1cnp n LEU 48 N 1.95 4.64 0.02 -0.35 -0.00 -1.25 -3.51 117.00 118.49 1cnp n LEU 48 Ca 0.39 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.92 1cnp n LEU 48 Cb 0.78 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1cnp n LEU 48 CO 0.16 1.15 0.00 1.67 -0.00 0.00 0.00 177.39 180.38 1cnp n GLN 49 N 2.06 0.00 -1.23 1.47 -0.06 -1.26 -5.17 117.38 113.18 1cnp n GLN 49 Ca 0.19 0.00 0.15 0.00 -2.00 0.00 0.00 57.00 55.34 1cnp n GLN 49 Cb 0.62 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.75 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1cnp n ASP 50 N -2.97 -6.90 -4.83 1.69 -0.08 -1.23 -4.92 116.55 97.32 1cnp n ASP 50 Ca 0.00 0.73 -0.32 0.00 -1.51 0.00 0.00 54.79 53.69 1cnp n ASP 50 Cb 0.00 -3.94 -0.01 0.00 2.34 0.00 0.00 41.12 39.51 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp s ALA 51 N -2.91 2.92 0.30 -1.67 0.00 -1.26 -4.89 121.76 114.25 1cnp s ALA 51 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1cnp s ALA 51 Cb 0.00 -3.16 0.44 0.00 0.00 0.00 0.00 23.12 20.40 1cnp s ALA 51 CO 0.00 -0.55 1.96 0.93 0.00 0.00 0.00 175.76 178.10 1cnp h GLU 52 N 0.56 1.10 -0.89 0.00 3.07 -1.99 0.44 114.58 116.86 1cnp h GLU 52 Ca -0.46 -0.07 0.19 0.00 -0.50 0.00 0.00 59.36 58.52 1cnp h GLU 52 Cb 1.20 -0.25 -0.07 0.00 -0.84 0.00 0.00 28.75 28.80 1cnp h GLU 52 CO 0.60 0.72 0.59 -0.84 -1.40 0.00 0.00 179.01 178.68 1cnp h ILE 53 N 1.13 0.71 -0.12 3.13 3.07 -1.99 0.51 117.51 123.95 1cnp h ILE 53 Ca 0.32 -0.16 -0.23 0.00 1.55 0.00 0.00 64.86 66.34 1cnp h ILE 53 Cb -0.09 0.21 0.01 0.00 -0.27 0.00 0.00 36.82 36.67 1cnp h ILE 53 CO -0.08 0.08 -0.82 0.58 -1.05 0.00 0.00 178.15 176.86 1cnp h VAL 54 N 0.46 1.29 -0.88 0.16 2.07 -0.50 0.70 116.25 119.55 1cnp h VAL 54 Ca 0.46 -2.05 0.10 0.00 0.82 0.00 0.00 66.70 66.03 1cnp h VAL 54 Cb 1.08 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.84 1cnp h VAL 54 CO -0.19 0.64 0.53 0.11 0.02 0.00 0.00 177.57 178.68 1cnp h LYS 55 N 0.48 0.86 -0.48 1.57 6.56 -0.57 0.62 116.57 125.61 1cnp h LYS 55 Ca -0.06 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 1cnp h LYS 55 Cb 1.45 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.90 1cnp h LYS 55 CO 0.16 0.57 0.26 -0.07 -2.06 0.00 0.00 179.45 178.31 1cnp h LEU 56 N 0.89 0.60 0.14 2.94 -0.00 -0.54 0.10 115.31 119.44 1cnp h LEU 56 Ca 0.42 -0.10 0.02 0.00 -0.00 0.00 0.00 57.88 58.22 1cnp h LEU 56 Cb 0.36 -0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1cnp h LEU 56 CO -0.24 0.53 -0.31 0.24 -0.00 0.00 0.00 178.44 178.66 1cnp h MET 57 N 0.63 -0.52 -0.21 1.13 2.86 0.20 -1.51 114.93 117.51 1cnp h MET 57 Ca 0.17 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1cnp h MET 57 Cb 0.06 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 1cnp h MET 57 CO -0.03 -0.35 -0.49 0.22 1.06 0.00 0.00 176.91 177.33 1cnp h ASP 58 N -0.54 -1.58 0.00 1.22 3.58 -0.82 -1.39 116.42 116.90 1cnp h ASP 58 Ca 0.03 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1cnp h ASP 58 Cb 0.56 0.64 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1cnp h ASP 58 CO -0.17 -0.44 0.00 -0.67 -2.88 0.00 0.00 179.24 175.08 1cnp n ASP 59 N -5.43 0.00 0.33 2.28 2.03 0.35 -1.55 116.55 114.56 1cnp n ASP 59 Ca -0.04 -0.79 0.19 0.00 0.52 0.00 0.00 54.79 54.67 1cnp n ASP 59 Cb 0.37 0.00 1.01 0.00 -0.72 0.00 0.00 41.12 41.78 1cnp n ASP 59 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1cnp h LEU 60 N 0.00 0.00 -1.74 -2.67 5.85 -0.20 0.14 115.31 116.69 1cnp h LEU 60 Ca 0.00 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1cnp h LEU 60 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1cnp h LEU 60 CO 0.00 0.00 0.77 -2.24 -0.34 0.00 0.00 178.44 176.63 1cnp h ASP 61 N 0.00 0.00 -0.06 1.25 3.04 -1.49 0.35 116.42 119.51 1cnp h ASP 61 Ca 0.01 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.81 1cnp h ASP 61 Cb 0.34 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1cnp h ASP 61 CO -0.00 0.00 0.25 -0.09 -2.04 0.00 0.00 179.24 177.36 1cnp h ARG 62 N 0.00 0.00 0.00 4.15 9.65 -0.99 -3.39 114.38 123.80 1cnp h ARG 62 Ca 0.38 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1cnp h ARG 62 Cb 1.90 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 1cnp h ARG 62 CO -0.00 0.00 0.00 0.27 2.80 0.00 0.00 179.97 183.04 1cnp n ASN 63 N -3.14 0.00 -2.24 -3.80 0.23 0.11 -0.33 115.26 106.10 1cnp n ASN 63 Ca -0.01 0.27 -0.27 0.00 -0.53 0.00 0.00 54.58 54.05 1cnp n ASN 63 Cb 0.32 -0.08 0.02 0.00 -2.08 0.00 0.00 39.78 37.96 1cnp n ASN 63 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1cnp n LYS 64 N -1.42 3.42 -1.30 -3.83 0.00 -1.26 -4.99 118.16 108.79 1cnp n LYS 64 Ca 0.00 -4.15 0.00 0.00 -0.00 0.00 0.00 58.31 54.16 1cnp n LYS 64 Cb 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 32.76 1cnp n LYS 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1cnp n ASP 65 N -0.65 0.00 0.00 -5.58 -0.08 0.55 -4.68 116.55 106.10 1cnp n ASP 65 Ca 0.45 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1cnp n ASP 65 Cb 0.81 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.27 1cnp n ASP 65 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1cnp n GLN 66 N -0.43 -1.83 -2.88 -0.67 -0.06 -1.26 -4.99 117.38 105.26 1cnp n GLN 66 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.74 1cnp n GLN 66 Cb 0.00 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 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 -0.34 -1.29 -3.26 3.69 -0.58 -1.24 -4.67 120.64 112.94 1cnp n GLU 67 Ca 0.00 0.90 -0.39 0.00 -0.42 0.00 0.00 57.16 57.25 1cnp n GLU 67 Cb 0.00 -1.42 -0.06 0.00 -0.57 0.00 0.00 31.44 29.39 1cnp n GLU 67 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1cnp s VAL 68 N -1.34 5.14 0.56 2.62 -7.23 0.20 -4.88 120.40 115.47 1cnp s VAL 68 Ca 0.22 1.01 0.02 0.00 -1.81 0.00 0.00 61.98 61.41 1cnp s VAL 68 Cb -0.02 -3.85 0.04 0.00 0.56 0.00 0.00 36.38 33.11 1cnp s VAL 68 CO 0.62 0.26 0.79 0.21 -0.31 0.00 0.00 175.10 176.66 1cnp s ASN 69 N 0.83 5.19 0.19 4.85 2.47 -1.26 -1.75 114.94 125.46 1cnp s ASN 69 Ca 0.27 -0.10 -0.14 0.00 0.42 0.00 0.00 52.86 53.31 1cnp s ASN 69 Cb -0.15 -0.73 0.19 0.00 -1.45 0.00 0.00 41.25 39.10 1cnp s ASN 69 CO 0.11 -1.21 1.68 0.15 -3.72 0.00 0.00 177.10 174.12 1cnp h PHE 70 N 0.04 -0.02 -0.52 0.43 3.57 -1.97 -1.39 116.94 117.08 1cnp h PHE 70 Ca -0.41 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.23 1cnp h PHE 70 Cb 1.29 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 40.01 1cnp h PHE 70 CO 0.31 -0.11 -0.18 0.37 -2.23 0.00 0.00 178.31 176.47 1cnp h GLN 71 N 0.12 -0.06 0.88 1.11 -0.00 -1.98 0.37 115.11 115.56 1cnp h GLN 71 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.86 1cnp h GLN 71 Cb 0.38 0.01 0.01 0.00 0.00 0.00 0.00 27.48 27.88 1cnp h GLN 71 CO -0.41 -0.04 -0.42 0.93 0.00 0.00 0.00 178.83 178.89 1cnp h GLU 72 N -0.06 -1.14 -0.77 1.69 3.07 -1.75 -0.88 114.58 114.75 1cnp h GLU 72 Ca 0.25 0.08 0.14 0.00 -0.50 0.00 0.00 59.36 59.33 1cnp h GLU 72 Cb 0.44 0.26 -0.10 0.00 -0.84 0.00 0.00 28.75 28.51 1cnp h GLU 72 CO -0.57 -0.76 0.31 -0.92 -1.40 0.00 0.00 179.01 175.68 1cnp h TYR 73 N -1.20 0.53 0.15 4.33 3.20 -0.76 -0.14 116.97 123.08 1cnp h TYR 73 Ca -0.12 0.04 -0.31 0.00 3.14 0.00 0.00 58.73 61.48 1cnp h TYR 73 Cb 0.91 -0.12 0.03 0.00 1.54 0.00 0.00 36.73 39.09 1cnp h TYR 73 CO -0.01 0.07 -1.30 0.97 -1.64 0.00 0.00 178.16 176.25 1cnp h ILE 74 N 0.45 1.29 -0.59 1.81 6.09 -0.26 -0.46 117.51 125.84 1cnp h ILE 74 Ca 0.42 -2.52 0.12 0.00 -1.37 0.00 0.00 64.86 61.51 1cnp h ILE 74 Cb 0.64 2.77 -0.09 0.00 0.47 0.00 0.00 36.82 40.61 1cnp h ILE 74 CO -0.40 0.77 0.04 0.74 -3.07 0.00 0.00 178.15 176.23 1cnp h THR 75 N 0.25 0.56 0.01 2.19 2.02 -0.74 0.25 112.91 117.44 1cnp h THR 75 Ca -0.20 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1cnp h THR 75 Cb 1.97 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1cnp h THR 75 CO 0.25 0.03 -0.13 0.15 0.37 0.00 0.00 175.52 176.18 1cnp h PHE 76 N 0.16 -0.39 -0.94 3.16 3.04 -0.79 0.10 116.94 121.28 1cnp h PHE 76 Ca 0.31 0.01 0.22 0.00 3.98 0.00 0.00 57.97 62.49 1cnp h PHE 76 Cb 0.48 0.17 -0.18 0.00 2.56 0.00 0.00 35.95 38.99 1cnp h PHE 76 CO -0.32 -0.14 -0.12 -0.11 -2.02 0.00 0.00 178.31 175.60 1cnp n LEU 77 N -3.23 -0.23 0.19 0.59 0.00 -0.20 -0.56 117.00 113.55 1cnp n LEU 77 Ca -0.02 1.61 -0.15 0.00 0.00 0.00 0.00 56.01 57.46 1cnp n LEU 77 Cb 0.10 -0.53 -0.07 0.00 0.00 0.00 0.00 43.42 42.91 1cnp n LEU 77 CO 0.03 -1.59 0.63 1.23 0.00 0.00 0.00 177.39 177.70 1cnp h GLY 78 N 0.00 -0.77 0.99 -3.96 0.00 0.30 0.22 103.07 99.85 1cnp h GLY 78 Ca 0.51 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 48.21 1cnp h GLY 78 CO -0.93 -0.28 -0.31 0.00 0.00 0.00 0.00 176.54 175.01 1cnp h ALA 79 N -0.17 -0.88 -0.32 3.60 0.00 0.73 -2.50 119.26 119.72 1cnp h ALA 79 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1cnp h ALA 79 Cb 0.64 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1cnp h ALA 79 CO -0.11 -0.98 -0.06 -0.07 0.00 0.00 0.00 179.25 178.03 1cnp h LEU 80 N -0.90 -0.25 -0.23 0.00 -0.00 -0.80 -2.36 115.31 110.78 1cnp h LEU 80 Ca -0.09 0.09 0.06 0.00 -0.00 0.00 0.00 57.88 57.94 1cnp h LEU 80 Cb 0.68 0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 41.45 1cnp h LEU 80 CO 0.15 -0.09 -0.24 0.00 -0.00 0.00 0.00 178.44 178.26 1cnp h ALA 81 N 1.31 -0.14 -0.45 1.53 0.00 -0.49 0.28 119.26 121.30 1cnp h ALA 81 Ca 0.16 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1cnp h ALA 81 Cb 0.23 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1cnp h ALA 81 CO -0.31 -0.67 0.33 0.52 0.00 0.00 0.00 179.25 179.12 1cnp h MET 82 N -0.25 0.00 0.09 0.00 2.86 -0.97 0.27 114.93 116.93 1cnp h MET 82 Ca 0.13 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.42 1cnp h MET 82 Cb 0.45 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1cnp h MET 82 CO -0.37 0.00 -1.99 -0.89 1.06 0.00 0.00 176.91 174.72 1cnp n ILE 83 N -4.34 1.73 -0.11 -1.22 5.41 0.23 -4.34 119.36 116.73 1cnp n ILE 83 Ca 0.08 -0.68 -0.24 0.00 1.00 0.00 0.00 62.75 62.90 1cnp n ILE 83 Cb 0.54 -1.57 -0.11 0.00 -0.71 0.00 0.00 39.64 37.79 1cnp n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cnp n TYR 84 N -3.38 0.64 0.92 1.39 0.18 0.72 -4.63 117.16 113.01 1cnp n TYR 84 Ca -0.30 0.25 0.00 0.00 1.88 0.00 0.00 57.90 59.73 1cnp n TYR 84 Cb 1.05 -1.07 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 1cnp n TYR 84 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1cnp n ASN 85 N -4.23 2.27 0.00 9.48 4.05 0.93 -4.92 115.26 122.85 1cnp n ASN 85 Ca -0.41 -1.84 0.00 0.00 0.45 0.00 0.00 54.58 52.79 1cnp n ASN 85 Cb 0.80 -0.46 0.00 0.00 1.23 0.00 0.00 39.78 41.35 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 0.41 0.00 0.00 1.20 4.07 -1.26 -3.92 120.64 121.14 1cnp n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1cnp n GLU 86 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 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 0.00 0.00 -0.31 4.31 0.00 -1.26 -4.91 120.51 118.34 1cnp n ALA 87 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1cnp n ALA 87 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 0.55 -7.41 0.00 4.07 -1.89 -3.39 115.31 107.24 1cnp h LEU 88 Ca 0.00 0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 1cnp h LEU 88 Cb 0.00 -0.02 -0.23 0.00 1.08 0.00 0.00 40.66 41.49 1cnp h LEU 88 CO 0.00 0.17 -0.29 -1.59 -1.08 0.00 0.00 178.44 175.65 1cnp s LYS 89 N -5.59 0.48 0.00 1.13 -2.85 -1.26 -5.09 119.74 106.56 1cnp s LYS 89 Ca -0.09 0.31 0.29 0.00 -1.00 0.00 0.00 55.97 55.48 1cnp s LYS 89 Cb 0.24 0.23 1.30 0.00 -2.06 0.00 0.00 37.83 37.54 1cnp s LYS 89 CO 0.79 -0.09 1.88 0.41 0.10 0.00 0.00 175.35 178.45