#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 -0.59 -1.88 3.04 0.00 -1.26 -5.02 120.51 114.80 1cnp n ALA 2 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1cnp n ALA 2 Cb 0.00 -2.64 0.12 0.00 0.00 0.00 0.00 19.45 16.93 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 -2.96 4.01 0.14 0.00 0.01 -1.26 -4.50 113.70 109.13 1cnp s SER 3 Ca 0.22 0.64 -0.32 0.00 1.31 0.00 0.00 55.95 57.79 1cnp s SER 3 Cb -0.10 -1.00 -0.09 0.00 0.21 0.00 0.00 66.02 65.05 1cnp s SER 3 CO 0.27 -2.21 1.55 -0.65 0.41 0.00 0.00 173.24 172.61 1cnp h PRO 4 N -1.27 -0.27 0.55 12.44 0.11 -1.98 0.27 132.00 141.86 1cnp h PRO 4 Ca -0.46 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1cnp h PRO 4 Cb 1.30 0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.48 1cnp h PRO 4 CO 0.57 -0.18 -0.27 1.25 -0.21 0.00 0.00 178.00 179.16 1cnp h LEU 5 N -0.29 -0.63 -0.57 2.35 5.85 -1.99 0.19 115.31 120.23 1cnp h LEU 5 Ca 0.10 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1cnp h LEU 5 Cb 0.55 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1cnp h LEU 5 CO -0.69 -0.34 0.26 -2.24 -0.34 0.00 0.00 178.44 175.09 1cnp h ASP 6 N -0.91 0.34 -0.13 1.25 2.03 -1.90 0.65 116.42 117.74 1cnp h ASP 6 Ca -0.08 0.05 0.03 0.00 -0.73 0.00 0.00 57.03 56.30 1cnp h ASP 6 Cb 0.63 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 1cnp h ASP 6 CO 0.12 0.22 -0.03 -0.61 -1.03 0.00 0.00 179.24 177.91 1cnp h GLN 7 N 0.49 -0.00 -0.06 4.15 4.15 -0.40 0.11 115.11 123.55 1cnp h GLN 7 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1cnp h GLN 7 Cb 0.24 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1cnp h GLN 7 CO -0.22 -0.00 0.04 0.00 -1.93 0.00 0.00 178.83 176.72 1cnp h ALA 8 N 1.12 0.08 -0.24 3.38 0.00 -0.17 0.27 119.26 123.71 1cnp h ALA 8 Ca 0.06 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1cnp h ALA 8 Cb 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1cnp h ALA 8 CO -0.13 -0.43 -0.12 0.82 0.00 0.00 0.00 179.25 179.38 1cnp h ILE 9 N 0.08 0.62 -0.67 0.00 2.04 -0.75 0.13 117.51 118.96 1cnp h ILE 9 Ca 0.02 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.03 1cnp h ILE 9 Cb -0.00 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 1cnp h ILE 9 CO -0.01 0.00 0.01 1.23 0.00 0.00 0.00 178.15 179.38 1cnp h GLY 10 N -0.10 0.73 0.85 5.37 0.00 -0.34 -0.59 103.07 108.99 1cnp h GLY 10 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1cnp h GLY 10 CO -0.30 -0.22 0.03 -2.00 0.00 0.00 0.00 176.54 174.04 1cnp h LEU 11 N 0.12 0.09 -0.27 3.11 5.85 0.78 0.29 115.31 125.29 1cnp h LEU 11 Ca 0.35 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1cnp h LEU 11 Cb 0.59 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 1cnp h LEU 11 CO -0.57 0.24 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.61 1cnp h LEU 12 N -0.06 -0.31 -0.33 2.25 4.07 -0.09 0.24 115.31 121.08 1cnp h LEU 12 Ca 0.02 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1cnp h LEU 12 Cb 0.17 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1cnp h LEU 12 CO -0.00 -0.12 0.14 0.40 -1.08 0.00 0.00 178.44 177.78 1cnp h ILE 13 N -0.03 1.18 -0.52 1.22 2.04 -1.05 -1.66 117.51 118.68 1cnp h ILE 13 Ca 0.14 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1cnp h ILE 13 Cb 0.24 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1cnp h ILE 13 CO -0.30 0.19 0.28 1.23 0.00 0.00 0.00 178.15 179.55 1cnp h GLY 14 N 0.38 0.74 0.71 5.37 0.00 0.26 0.56 103.07 111.09 1cnp h GLY 14 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1cnp h GLY 14 CO -0.01 0.13 -0.13 -2.22 0.00 0.00 0.00 176.54 174.31 1cnp h ILE 15 N 0.54 0.75 -0.94 2.60 1.08 -0.51 0.25 117.51 121.29 1cnp h ILE 15 Ca 0.23 -0.54 0.09 0.00 -0.39 0.00 0.00 64.86 64.24 1cnp h ILE 15 Cb 0.11 1.04 -0.12 0.00 -3.07 0.00 0.00 36.82 34.79 1cnp h ILE 15 CO -0.15 0.11 -0.58 0.15 -0.69 0.00 0.00 178.15 176.99 1cnp h PHE 16 N -0.68 -1.87 -0.35 1.37 3.57 -1.01 0.21 116.94 118.18 1cnp h PHE 16 Ca -0.04 0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1cnp h PHE 16 Cb 0.47 0.94 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 1cnp h PHE 16 CO 0.02 -0.38 0.06 0.72 -2.23 0.00 0.00 178.31 176.50 1cnp n HIS 17 N -5.25 1.24 0.01 0.41 8.25 0.16 -3.92 115.22 116.12 1cnp n HIS 17 Ca 0.01 -0.54 -0.13 0.00 -0.26 0.00 0.00 57.72 56.80 1cnp n HIS 17 Cb 0.27 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 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 1.89 0.00 -2.77 -0.41 3.11 0.17 -3.26 116.57 115.31 1cnp h LYS 18 Ca 0.06 -0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.33 1cnp h LYS 18 Cb 1.44 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1cnp h LYS 18 CO 0.33 0.31 2.90 0.66 -2.81 0.00 0.00 179.45 180.83 1cnp n TYR 19 N -4.94 1.90 -2.53 1.91 4.01 -1.25 -3.71 117.16 112.55 1cnp n TYR 19 Ca -0.08 -2.74 -0.02 0.00 -0.16 0.00 0.00 57.90 54.90 1cnp n TYR 19 Cb 0.17 -2.28 0.05 0.00 -0.31 0.00 0.00 39.34 36.96 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cnp n SER 20 N 3.28 -0.18 -0.84 7.72 7.64 -1.23 -4.60 113.62 125.41 1cnp n SER 20 Ca 0.71 -2.08 0.02 0.00 1.01 0.00 0.00 58.87 58.52 1cnp n SER 20 Cb 0.38 0.14 0.20 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.62 4.88 0.00 0.23 0.00 -1.24 -4.90 105.19 103.55 1cnp n GLY 21 Ca -0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.09 0.00 0.00 1.61 5.02 -1.26 -5.08 118.16 117.35 1cnp n LYS 22 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1cnp n LYS 22 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.88 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 0.00 0.00 0.00 1.97 -0.00 -1.26 -4.86 120.64 116.49 1cnp n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1cnp n GLU 23 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 31.44 31.26 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1cnp n GLY 24 N 2.60 1.25 0.57 -1.84 0.00 -1.26 -4.82 105.19 101.70 1cnp n GLY 24 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 2.59 -3.11 -0.12 1.61 2.03 -1.26 -0.29 116.55 118.00 1cnp n ASP 25 Ca 0.00 0.61 -0.16 0.00 0.52 0.00 0.00 54.79 55.76 1cnp n ASP 25 Cb 0.00 -1.85 -0.13 0.00 -0.72 0.00 0.00 41.12 38.42 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 -2.74 0.66 -0.02 -0.67 2.85 -1.26 -4.61 118.16 112.36 1cnp n LYS 26 Ca -0.03 0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1cnp n LYS 26 Cb 0.26 -1.51 -0.11 0.00 -0.65 0.00 0.00 35.03 33.02 1cnp n LYS 26 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 1cnp h HIS 27 N 0.00 -0.00 -3.81 5.58 2.07 -1.98 -3.46 115.15 113.55 1cnp h HIS 27 Ca -0.57 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.95 1cnp h HIS 27 Cb 1.98 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.96 1cnp h HIS 27 CO 0.02 0.59 0.00 0.25 -3.07 0.00 0.00 177.93 175.72 1cnp n THR 28 N -4.81 0.00 -3.75 6.12 -2.24 -1.26 -4.71 114.28 103.63 1cnp n THR 28 Ca -0.09 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 1cnp n THR 28 Cb 0.30 -0.42 -0.18 0.00 -2.10 0.00 0.00 70.33 67.93 1cnp n THR 28 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1cnp s LEU 29 N 0.00 0.53 0.63 3.22 1.98 0.80 -4.52 118.68 121.32 1cnp s LEU 29 Ca 0.00 -0.10 -0.18 0.00 -2.89 0.00 0.00 54.13 50.96 1cnp s LEU 29 Cb 0.00 -0.39 -0.02 0.00 0.66 0.00 0.00 46.19 46.44 1cnp s LEU 29 CO 0.00 -0.21 1.25 -0.94 -1.89 0.00 0.00 176.35 174.56 1cnp s SER 30 N 2.00 4.85 0.13 3.68 1.04 0.60 -2.40 113.70 123.60 1cnp s SER 30 Ca 0.05 2.50 -0.31 0.00 0.48 0.00 0.00 55.95 58.67 1cnp s SER 30 Cb -0.12 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.32 1cnp s SER 30 CO -0.05 -1.83 1.57 0.11 0.98 0.00 0.00 173.24 174.02 1cnp h LYS 31 N 0.65 -0.47 -0.07 4.02 1.79 -1.92 0.92 116.57 121.49 1cnp h LYS 31 Ca -0.51 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 57.94 1cnp h LYS 31 Cb 1.32 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.06 1cnp h LYS 31 CO 0.54 -0.32 -0.20 1.57 -1.08 0.00 0.00 179.45 179.96 1cnp h LYS 32 N -0.49 0.11 -0.19 3.15 2.10 -1.95 0.11 116.57 119.41 1cnp h LYS 32 Ca 0.07 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.62 1cnp h LYS 32 Cb 0.64 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1cnp h LYS 32 CO -0.45 0.31 -0.16 0.93 -2.00 0.00 0.00 179.45 178.08 1cnp h GLU 33 N 0.10 0.44 -0.91 0.07 4.39 -1.83 -3.23 114.58 113.60 1cnp h GLU 33 Ca 0.02 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.60 1cnp h GLU 33 Cb 0.42 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 1cnp h GLU 33 CO 0.03 0.78 0.59 1.25 -1.16 0.00 0.00 179.01 180.50 1cnp h LEU 34 N 0.10 0.84 0.00 1.33 6.46 0.81 -0.01 115.31 124.84 1cnp h LEU 34 Ca 0.03 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1cnp h LEU 34 Cb 0.68 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1cnp h LEU 34 CO 0.04 0.49 0.00 0.29 -0.62 0.00 0.00 178.44 178.64 1cnp n LYS 35 N -4.54 0.00 -0.05 1.25 4.76 0.24 -0.84 118.16 118.98 1cnp n LYS 35 Ca 0.16 0.48 -0.14 0.00 -2.87 0.00 0.00 58.31 55.93 1cnp n LYS 35 Cb 0.30 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.87 1cnp n LYS 35 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1cnp h GLU 36 N 0.00 0.03 -0.40 1.97 4.81 -1.11 -3.29 114.58 116.58 1cnp h GLU 36 Ca 0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1cnp h GLU 36 Cb 0.00 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1cnp h GLU 36 CO 0.00 0.95 -0.54 1.25 -0.73 0.00 0.00 179.01 179.94 1cnp h LEU 37 N -0.88 -1.80 -0.39 1.64 6.46 -1.05 -2.16 115.31 117.13 1cnp h LEU 37 Ca -0.01 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1cnp h LEU 37 Cb 0.97 0.74 -0.03 0.00 -0.73 0.00 0.00 40.66 41.61 1cnp h LEU 37 CO 0.01 -0.39 0.21 -0.29 -0.62 0.00 0.00 178.44 177.37 1cnp h ILE 38 N -0.38 1.01 0.72 4.05 2.10 -1.58 -1.70 117.51 121.73 1cnp h ILE 38 Ca 0.07 -0.15 -0.04 0.00 1.08 0.00 0.00 64.86 65.83 1cnp h ILE 38 Cb 0.57 0.54 0.01 0.00 -1.09 0.00 0.00 36.82 36.84 1cnp h ILE 38 CO -0.58 0.08 -0.35 0.06 -1.08 0.00 0.00 178.15 176.28 1cnp h GLN 39 N 0.43 -0.93 0.00 2.19 3.07 -1.57 -3.40 115.11 114.90 1cnp h GLN 39 Ca 0.16 0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.97 1cnp h GLN 39 Cb 0.04 0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1cnp h GLN 39 CO -0.10 -0.61 -0.45 1.63 0.09 0.00 0.00 178.83 179.39 1cnp n LYS 40 N -5.43 0.27 0.00 0.06 4.76 -0.83 -4.76 118.16 112.23 1cnp n LYS 40 Ca -0.12 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1cnp n LYS 40 Cb 0.39 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1cnp n LYS 40 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cnp n GLU 41 N -3.52 0.94 0.00 1.97 1.02 -0.72 -4.54 120.64 115.80 1cnp n GLU 41 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1cnp n GLU 41 Cb 0.23 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1cnp n GLU 41 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1cnp n LEU 42 N -0.26 0.23 0.00 -4.62 0.00 -0.73 -4.85 117.00 106.77 1cnp n LEU 42 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1cnp n LEU 42 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.45 1cnp n LEU 42 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 177.39 177.85 1cnp n THR 43 N 0.58 0.00 0.04 1.96 -1.04 -1.26 -4.21 114.28 110.34 1cnp n THR 43 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1cnp n THR 43 Cb 0.05 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.55 1cnp n THR 43 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1cnp h ILE 44 N 0.00 0.00 -0.09 12.58 2.10 -1.92 -3.41 117.51 126.76 1cnp h ILE 44 Ca 0.00 -0.14 0.01 0.00 1.08 0.00 0.00 64.86 65.80 1cnp h ILE 44 Cb 0.00 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 35.72 1cnp h ILE 44 CO 0.00 0.00 -0.05 0.61 -1.08 0.00 0.00 178.15 177.63 1cnp n GLY 45 N 0.73 -0.31 0.10 8.18 0.00 -1.26 -0.75 105.19 111.87 1cnp n GLY 45 Ca -0.02 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1cnp n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cnp n SER 46 N -3.73 0.38 0.16 1.61 3.41 -1.26 -0.62 113.62 113.56 1cnp n SER 46 Ca 0.00 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1cnp n SER 46 Cb 0.02 -0.71 0.08 0.00 -0.26 0.00 0.00 64.21 63.34 1cnp n SER 46 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cnp h LYS 47 N 0.00 0.00 0.00 4.33 6.56 -1.22 -3.44 116.57 122.81 1cnp h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1cnp h LYS 47 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1cnp h LYS 47 CO 0.00 0.07 0.00 1.28 -2.06 0.00 0.00 179.45 178.74 1cnp n LEU 48 N -2.94 0.00 -2.53 2.94 7.99 0.21 -5.00 117.00 117.67 1cnp n LEU 48 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.97 1cnp n LEU 48 Cb 0.58 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.93 1cnp n LEU 48 CO 0.37 0.00 0.04 0.00 -1.51 0.00 0.00 177.39 176.30 1cnp n GLN 49 N 0.00 2.02 0.00 3.23 1.13 -1.19 -5.04 117.38 117.53 1cnp n GLN 49 Ca 0.00 -3.55 0.00 0.00 -1.94 0.00 0.00 57.00 51.51 1cnp n GLN 49 Cb 0.00 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.70 1cnp n GLN 49 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1cnp n ASP 50 N -0.56 0.00 -3.16 1.08 8.00 -0.06 -4.62 116.55 117.23 1cnp n ASP 50 Ca 0.15 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 1cnp n ASP 50 Cb 0.86 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 42.03 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cnp n ALA 51 N 0.00 -2.04 -0.31 2.24 0.00 -1.26 -4.77 120.51 114.37 1cnp n ALA 51 Ca 0.00 0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.64 1cnp n ALA 51 Cb 0.00 -3.56 0.36 0.00 0.00 0.00 0.00 19.45 16.25 1cnp n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1cnp h GLU 52 N -1.41 0.19 -0.89 0.00 4.39 -1.94 0.13 114.58 115.05 1cnp h GLU 52 Ca -0.54 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.33 1cnp h GLU 52 Cb 1.30 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 1cnp h GLU 52 CO 0.43 0.13 0.58 -0.84 -1.16 0.00 0.00 179.01 178.15 1cnp h ILE 53 N 0.20 0.73 0.07 3.13 3.07 -1.98 0.96 117.51 123.69 1cnp h ILE 53 Ca 0.63 -0.17 -0.28 0.00 1.55 0.00 0.00 64.86 66.58 1cnp h ILE 53 Cb 1.35 0.18 0.02 0.00 -0.27 0.00 0.00 36.82 38.10 1cnp h ILE 53 CO -0.68 0.09 -1.15 0.58 -1.05 0.00 0.00 178.15 175.94 1cnp h VAL 54 N 0.51 1.30 -0.68 0.16 2.07 -1.10 -3.20 116.25 115.31 1cnp h VAL 54 Ca 0.46 -2.42 0.09 0.00 0.82 0.00 0.00 66.70 65.66 1cnp h VAL 54 Cb 1.00 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 33.31 1cnp h VAL 54 CO -0.20 0.74 0.45 0.11 0.02 0.00 0.00 177.57 178.69 1cnp h LYS 55 N 0.30 0.56 -0.95 1.57 1.57 -0.61 0.92 116.57 119.94 1cnp h LYS 55 Ca -0.16 -0.03 0.28 0.00 -1.87 0.00 0.00 60.65 58.87 1cnp h LYS 55 Cb 1.82 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 1cnp h LYS 55 CO 0.22 0.37 0.78 -0.07 -0.57 0.00 0.00 179.45 180.18 1cnp h LEU 56 N 0.58 0.00 0.44 2.94 3.38 -1.06 0.54 115.31 122.14 1cnp h LEU 56 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1cnp h LEU 56 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1cnp h LEU 56 CO -0.10 0.00 -0.21 -0.03 0.09 0.00 0.00 178.44 178.18 1cnp h MET 57 N 0.00 -0.58 0.00 1.13 4.05 -0.97 -3.34 114.93 115.22 1cnp h MET 57 Ca 0.45 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1cnp h MET 57 Cb 2.00 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.93 1cnp h MET 57 CO -0.00 -0.38 0.00 -3.47 0.23 0.00 0.00 176.91 173.28 1cnp n ASP 58 N -5.17 0.00 -0.94 1.39 2.03 0.31 -3.56 116.55 110.61 1cnp n ASP 58 Ca -0.07 -1.16 0.00 0.00 0.52 0.00 0.00 54.79 54.07 1cnp n ASP 58 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1cnp n ASP 58 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cnp n ASP 59 N -0.60 0.96 0.00 1.67 2.03 0.16 -4.34 116.55 116.43 1cnp n ASP 59 Ca 0.03 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1cnp n ASP 59 Cb 0.01 -0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.76 0.00 0.31 -2.67 4.77 -1.23 -1.22 117.00 117.72 1cnp n LEU 60 Ca 0.00 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.46 1cnp n LEU 60 Cb 0.16 -0.32 0.78 0.00 -2.33 0.00 0.00 43.42 41.71 1cnp n LEU 60 CO 0.00 -0.32 1.13 -2.24 -1.33 0.00 0.00 177.39 174.63 1cnp h ASP 61 N 0.00 0.00 0.00 -1.43 2.03 -1.92 0.14 116.42 115.24 1cnp h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1cnp h ASP 61 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1cnp h ASP 61 CO 0.00 0.00 0.27 0.03 -1.03 0.00 0.00 179.24 178.51 1cnp h ARG 62 N 0.00 0.00 0.00 4.15 3.08 -1.50 -3.41 114.38 116.70 1cnp h ARG 62 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1cnp h ARG 62 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1cnp h ARG 62 CO -0.00 0.00 0.00 -1.71 -1.07 0.00 0.00 179.97 177.19 1cnp n ASN 63 N -2.61 0.00 0.07 7.04 2.85 0.47 -4.62 115.26 118.46 1cnp n ASN 63 Ca -0.02 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1cnp n ASN 63 Cb 0.31 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.12 1cnp n ASN 63 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1cnp n LYS 64 N -2.36 0.00 0.24 1.20 2.85 -1.26 -4.95 118.16 113.87 1cnp n LYS 64 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 1cnp n LYS 64 Cb 0.00 0.00 0.50 0.00 -0.65 0.00 0.00 35.03 34.88 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1cnp h ASP 65 N 0.00 0.00 0.00 -5.58 5.19 -1.87 -3.47 116.42 110.69 1cnp h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1cnp h ASP 65 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1cnp h ASP 65 CO 0.00 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.26 1cnp n GLN 66 N -3.27 0.00 -2.56 3.56 6.02 -1.26 -4.56 117.38 115.31 1cnp n GLN 66 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 1cnp n GLN 66 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1cnp n GLU 67 N 0.00 3.19 -0.74 -1.09 -0.58 -1.26 -4.30 120.64 115.87 1cnp n GLU 67 Ca 0.00 -3.28 -0.32 0.00 -0.42 0.00 0.00 57.16 53.14 1cnp n GLU 67 Cb 0.00 -3.46 0.14 0.00 -0.57 0.00 0.00 31.44 27.55 1cnp n GLU 67 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1cnp n VAL 68 N 6.22 0.00 -2.77 2.62 0.24 -1.01 -4.31 118.33 119.32 1cnp n VAL 68 Ca 0.48 -0.17 -0.22 0.00 -2.04 0.00 0.00 64.34 62.40 1cnp n VAL 68 Cb 0.45 -0.73 0.10 0.00 -1.47 0.00 0.00 33.84 32.20 1cnp n VAL 68 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1cnp s ASN 69 N -2.17 4.52 0.44 -1.34 0.01 -1.26 -0.14 114.94 115.00 1cnp s ASN 69 Ca 0.60 -0.62 0.10 0.00 -0.71 0.00 0.00 52.86 52.23 1cnp s ASN 69 Cb -0.21 0.25 0.98 0.00 0.41 0.00 0.00 41.25 42.68 1cnp s ASN 69 CO 0.65 -1.76 2.06 0.15 -1.51 0.00 0.00 177.10 176.69 1cnp h PHE 70 N -0.32 0.40 0.08 2.20 3.57 -1.95 -3.10 116.94 117.82 1cnp h PHE 70 Ca -0.33 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1cnp h PHE 70 Cb 1.27 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1cnp h PHE 70 CO -0.01 0.24 -0.27 0.37 -2.23 0.00 0.00 178.31 176.40 1cnp h GLN 71 N 0.42 -0.39 -0.42 1.11 -0.00 -1.98 0.11 115.11 113.95 1cnp h GLN 71 Ca 0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.81 1cnp h GLN 71 Cb 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 1cnp h GLN 71 CO -0.04 -0.26 0.18 0.93 0.00 0.00 0.00 178.83 179.65 1cnp h GLU 72 N -0.41 0.63 -0.14 1.69 3.07 -1.94 0.25 114.58 117.74 1cnp h GLU 72 Ca -0.01 -0.11 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1cnp h GLU 72 Cb 0.40 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1cnp h GLU 72 CO -0.14 0.57 -0.11 -0.92 -1.40 0.00 0.00 179.01 177.01 1cnp h TYR 73 N 0.54 -0.34 0.00 4.33 3.20 -1.51 -0.43 116.97 122.76 1cnp h TYR 73 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1cnp h TYR 73 Cb 0.16 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1cnp h TYR 73 CO -0.00 -0.08 -0.31 0.97 -1.64 0.00 0.00 178.16 177.09 1cnp h ILE 74 N -0.03 0.81 0.69 1.81 6.09 -0.34 -0.66 117.51 125.88 1cnp h ILE 74 Ca 0.02 -1.30 -0.03 0.00 -1.37 0.00 0.00 64.86 62.18 1cnp h ILE 74 Cb 0.09 1.81 0.01 0.00 0.47 0.00 0.00 36.82 39.19 1cnp h ILE 74 CO -0.15 0.31 -0.34 0.74 -3.07 0.00 0.00 178.15 175.64 1cnp h THR 75 N 0.00 0.31 -0.24 2.19 2.02 -0.17 0.46 112.91 117.48 1cnp h THR 75 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1cnp h THR 75 Cb 0.78 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1cnp h THR 75 CO 0.04 0.00 -0.17 2.19 0.37 0.00 0.00 175.52 177.95 1cnp h PHE 76 N -0.94 0.63 -0.79 3.16 -5.15 -0.76 0.41 116.94 113.50 1cnp h PHE 76 Ca -0.09 -0.17 0.04 0.00 -0.20 0.00 0.00 57.97 57.54 1cnp h PHE 76 Cb 0.72 -0.14 -0.05 0.00 0.22 0.00 0.00 35.95 36.71 1cnp h PHE 76 CO -0.03 0.83 0.52 -0.07 -2.00 0.00 0.00 178.31 177.56 1cnp h LEU 77 N 0.25 0.82 -0.06 2.10 3.38 -1.18 -1.08 115.31 119.54 1cnp h LEU 77 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1cnp h LEU 77 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1cnp h LEU 77 CO 0.05 0.56 0.01 1.23 0.09 0.00 0.00 178.44 180.37 1cnp h GLY 78 N 0.95 0.06 0.29 0.83 0.00 0.53 0.32 103.07 106.04 1cnp h GLY 78 Ca 0.32 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.71 1cnp h GLY 78 CO -0.10 -0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.27 1cnp h ALA 79 N 1.04 -0.01 -0.78 3.60 0.00 -0.29 0.84 119.26 123.66 1cnp h ALA 79 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cnp h ALA 79 Cb 0.02 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1cnp h ALA 79 CO -0.04 -0.59 0.51 -0.07 0.00 0.00 0.00 179.25 179.07 1cnp h LEU 80 N -0.16 0.89 -1.13 0.00 3.38 -0.92 -2.49 115.31 114.87 1cnp h LEU 80 Ca 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1cnp h LEU 80 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1cnp h LEU 80 CO -0.34 0.64 0.56 0.00 0.09 0.00 0.00 178.44 179.39 1cnp h ALA 81 N 1.29 1.36 -0.59 1.53 0.00 0.47 0.21 119.26 123.54 1cnp h ALA 81 Ca 0.29 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.30 1cnp h ALA 81 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1cnp h ALA 81 CO -0.07 0.58 0.48 1.98 0.00 0.00 0.00 179.25 182.22 1cnp h MET 82 N 1.18 0.00 0.00 0.00 -1.53 -0.39 0.11 114.93 114.29 1cnp h MET 82 Ca 0.32 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.58 1cnp h MET 82 Cb -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 30.93 1cnp h MET 82 CO -0.07 0.00 -0.12 0.82 0.14 0.00 0.00 176.91 177.68 1cnp h ILE 83 N 0.00 0.00 0.00 1.77 1.08 -0.70 -3.39 117.51 116.27 1cnp h ILE 83 Ca 0.28 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1cnp h ILE 83 Cb 1.24 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1cnp h ILE 83 CO -0.00 0.00 -0.09 0.10 -0.69 0.00 0.00 178.15 177.46 1cnp h TYR 84 N -0.29 0.00 -0.39 1.37 -0.00 -0.60 -0.87 116.97 116.20 1cnp h TYR 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1cnp h TYR 84 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.80 1cnp h TYR 84 CO -0.05 0.09 0.11 -1.71 -0.00 0.00 0.00 178.16 176.60 1cnp n ASN 85 N -4.39 3.61 -4.45 0.10 5.15 0.37 -4.99 115.26 110.66 1cnp n ASN 85 Ca -0.03 -2.64 -0.45 0.00 -0.60 0.00 0.00 54.58 50.87 1cnp n ASN 85 Cb 0.17 -0.63 -0.14 0.00 -0.53 0.00 0.00 39.78 38.65 1cnp n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1cnp n GLU 86 N 0.13 0.02 -1.96 1.20 4.07 -0.33 -4.64 120.64 119.13 1cnp n GLU 86 Ca 0.21 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.28 1cnp n GLU 86 Cb 0.90 -1.54 0.04 0.00 -0.06 0.00 0.00 31.44 30.78 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 9.97 3.16 -0.18 4.31 0.00 -1.26 -4.91 120.51 131.61 1cnp n ALA 87 Ca 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1cnp n ALA 87 Cb 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1cnp n ALA 87 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1cnp n LEU 88 N -0.71 0.00 -0.03 0.00 -0.00 -1.26 -4.87 117.00 110.13 1cnp n LEU 88 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.80 1cnp n LEU 88 Cb 0.83 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.20 1cnp n LEU 88 CO -0.12 0.00 -0.71 0.29 -0.00 0.00 0.00 177.39 176.85 1cnp n LYS 89 N 0.00 2.34 0.00 1.47 5.02 -1.26 -5.21 118.16 120.52 1cnp n LYS 89 Ca 0.00 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1cnp n LYS 89 Cb 0.00 -1.15 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29