#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 1.37 -3.45 3.04 0.00 -1.26 -5.05 120.51 115.16 1cnp n ALA 2 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 1cnp n ALA 2 Cb 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1cnp s SER 3 N -6.26 -0.49 0.39 0.00 1.04 -1.26 -4.97 113.70 102.15 1cnp s SER 3 Ca -0.22 -0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.31 1cnp s SER 3 Cb 0.08 0.52 0.89 0.00 0.10 0.00 0.00 66.02 67.61 1cnp s SER 3 CO 0.72 -0.84 1.93 1.55 0.98 0.00 0.00 173.24 177.58 1cnp h PRO 4 N 2.00 0.57 0.46 4.02 0.13 -1.98 -1.11 132.00 136.09 1cnp h PRO 4 Ca -0.29 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1cnp h PRO 4 Cb 1.28 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1cnp h PRO 4 CO 0.35 0.38 -0.37 1.25 -0.23 0.00 0.00 178.00 179.39 1cnp h LEU 5 N 0.59 -0.97 -0.62 1.56 6.46 -1.98 0.17 115.31 120.51 1cnp h LEU 5 Ca 0.35 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 58.25 1cnp h LEU 5 Cb 0.56 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.73 1cnp h LEU 5 CO -0.12 -0.51 0.30 -2.24 -0.62 0.00 0.00 178.44 175.24 1cnp h ASP 6 N -0.80 0.40 -0.57 1.25 2.03 -1.85 0.30 116.42 117.17 1cnp h ASP 6 Ca -0.06 0.05 0.04 0.00 -0.73 0.00 0.00 57.03 56.33 1cnp h ASP 6 Cb 0.67 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 39.10 1cnp h ASP 6 CO 0.01 0.25 0.32 -0.61 -1.03 0.00 0.00 179.24 178.17 1cnp h GLN 7 N 0.55 0.59 -0.57 4.15 5.75 -1.14 0.13 115.11 124.58 1cnp h GLN 7 Ca 0.30 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.79 1cnp h GLN 7 Cb 0.27 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1cnp h GLN 7 CO -0.23 0.39 0.33 0.00 -2.65 0.00 0.00 178.83 176.68 1cnp h ALA 8 N 1.29 0.74 -0.72 3.38 0.00 0.88 0.20 119.26 125.01 1cnp h ALA 8 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1cnp h ALA 8 Cb 0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1cnp h ALA 8 CO -0.14 0.04 0.44 0.82 0.00 0.00 0.00 179.25 180.41 1cnp h ILE 9 N 0.66 1.06 -0.44 0.00 1.08 -0.16 0.10 117.51 119.80 1cnp h ILE 9 Ca 0.23 -0.29 0.09 0.00 -0.39 0.00 0.00 64.86 64.51 1cnp h ILE 9 Cb 0.05 0.14 -0.09 0.00 -3.07 0.00 0.00 36.82 33.86 1cnp h ILE 9 CO -0.11 0.15 -0.14 1.23 -0.69 0.00 0.00 178.15 178.59 1cnp h GLY 10 N 0.84 0.27 0.72 5.37 0.00 0.40 0.64 103.07 111.31 1cnp h GLY 10 Ca 0.30 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.86 1cnp h GLY 10 CO -0.14 -0.18 0.32 1.41 0.00 0.00 0.00 176.54 177.96 1cnp h LEU 11 N -0.03 0.48 -0.62 3.11 3.38 0.60 0.11 115.31 122.34 1cnp h LEU 11 Ca 0.21 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1cnp h LEU 11 Cb 0.36 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1cnp h LEU 11 CO -0.48 0.32 0.40 -0.07 0.09 0.00 0.00 178.44 178.71 1cnp h LEU 12 N 0.61 0.69 -0.73 1.67 3.38 0.23 0.25 115.31 121.42 1cnp h LEU 12 Ca 0.26 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.29 1cnp h LEU 12 Cb 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1cnp h LEU 12 CO -0.16 0.49 0.41 0.40 0.09 0.00 0.00 178.44 179.67 1cnp h ILE 13 N 0.82 0.96 0.19 1.22 1.08 -0.39 -2.13 117.51 119.26 1cnp h ILE 13 Ca 0.23 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1cnp h ILE 13 Cb -0.06 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.82 1cnp h ILE 13 CO -0.06 0.13 -0.36 1.23 -0.69 0.00 0.00 178.15 178.40 1cnp h GLY 14 N 0.74 -1.15 -0.41 5.37 0.00 0.60 0.15 103.07 108.36 1cnp h GLY 14 Ca 0.33 0.57 0.15 0.00 0.00 0.00 0.00 47.33 48.38 1cnp h GLY 14 CO -0.20 -0.33 -0.13 -2.22 0.00 0.00 0.00 176.54 173.65 1cnp h ILE 15 N -0.59 0.30 0.00 2.60 1.08 -0.28 0.46 117.51 121.08 1cnp h ILE 15 Ca -0.02 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1cnp h ILE 15 Cb 0.56 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1cnp h ILE 15 CO -0.14 0.00 0.00 0.33 -0.69 0.00 0.00 178.15 177.66 1cnp n PHE 16 N -5.44 0.00 1.22 1.37 7.35 -0.83 -3.83 117.46 117.30 1cnp n PHE 16 Ca 0.10 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.83 1cnp n PHE 16 Cb 0.39 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.46 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 -0.56 0.00 -0.29 -5.13 8.25 0.51 -1.56 115.22 116.44 1cnp n HIS 17 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1cnp n HIS 17 Cb 0.00 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.18 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 1.10 -7.27 -0.41 3.64 -0.20 -3.42 116.57 110.01 1cnp h LYS 18 Ca 0.00 -0.14 -0.50 0.00 -1.27 0.00 0.00 60.65 58.73 1cnp h LYS 18 Cb 0.00 -0.21 0.08 0.00 -0.41 0.00 0.00 32.23 31.69 1cnp h LYS 18 CO 0.00 0.83 0.37 0.71 -2.27 0.00 0.00 179.45 179.09 1cnp s TYR 19 N -5.79 3.01 -1.44 1.91 2.02 -0.60 -2.88 117.35 113.57 1cnp s TYR 19 Ca -0.13 1.48 -0.02 0.00 -0.37 0.00 0.00 57.07 58.03 1cnp s TYR 19 Cb 0.15 -2.96 0.01 0.00 -0.40 0.00 0.00 41.96 38.77 1cnp s TYR 19 CO 0.81 -1.23 0.18 0.43 -1.57 0.00 0.00 175.55 174.18 1cnp n SER 20 N -2.64 -5.06 -2.67 2.29 7.64 -1.26 -4.39 113.62 107.52 1cnp n SER 20 Ca 0.08 -0.05 -0.22 0.00 1.01 0.00 0.00 58.87 59.70 1cnp n SER 20 Cb 0.53 -4.20 -0.08 0.00 -1.01 0.00 0.00 64.21 59.45 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 -1.07 3.28 1.22 0.23 0.00 -1.14 -1.15 105.19 106.56 1cnp n GLY 21 Ca -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 3.18 0.00 0.09 1.61 4.01 -1.26 -4.75 118.16 121.04 1cnp n LYS 22 Ca 0.52 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 58.27 1cnp n LYS 22 Cb 0.49 -0.25 -0.01 0.00 -0.51 0.00 0.00 35.03 34.75 1cnp n LYS 22 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1cnp h GLU 23 N 0.00 0.01 -1.16 1.97 -0.00 -1.97 -3.48 114.58 109.94 1cnp h GLU 23 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1cnp h GLU 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1cnp h GLU 23 CO 0.00 0.86 0.00 0.41 -0.00 0.00 0.00 179.01 180.28 1cnp n GLY 24 N 0.94 0.84 2.10 1.06 0.00 -0.30 -4.92 105.19 104.91 1cnp n GLY 24 Ca -0.01 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.58 0.45 -2.11 1.61 2.03 -0.65 -4.87 116.55 112.43 1cnp n ASP 25 Ca 0.00 0.40 -0.13 0.00 0.52 0.00 0.00 54.79 55.58 1cnp n ASP 25 Cb 0.21 -0.58 0.26 0.00 -0.72 0.00 0.00 41.12 40.29 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 4.88 3.17 0.00 -0.67 4.01 -1.26 -4.88 118.16 123.41 1cnp n LYS 26 Ca 0.36 -3.06 0.00 0.00 -0.51 0.00 0.00 58.31 55.10 1cnp n LYS 26 Cb -0.02 -2.21 0.00 0.00 -0.51 0.00 0.00 35.03 32.29 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1cnp n HIS 27 N -0.53 0.00 -3.64 2.13 1.44 -1.26 -5.14 115.22 108.21 1cnp n HIS 27 Ca 0.49 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.85 1cnp n HIS 27 Cb 1.51 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.57 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 2.02 5.17 0.03 0.61 -4.23 -1.26 -4.58 115.64 113.40 1cnp s THR 28 Ca 0.00 0.35 -0.30 0.00 -1.18 0.00 0.00 61.69 60.56 1cnp s THR 28 Cb 0.00 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 1cnp s THR 28 CO 0.00 0.32 1.23 -0.22 -0.54 0.00 0.00 174.62 175.41 1cnp s LEU 29 N -1.84 4.34 -1.31 4.79 0.20 0.10 -4.92 118.68 120.04 1cnp s LEU 29 Ca 0.31 1.99 -0.15 0.00 0.69 0.00 0.00 54.13 56.97 1cnp s LEU 29 Cb -0.14 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.03 1cnp s LEU 29 CO 0.17 -0.53 2.23 -1.20 -0.29 0.00 0.00 176.35 176.74 1cnp n SER 30 N 4.38 4.10 0.00 3.68 7.64 -1.26 -4.09 113.62 128.07 1cnp n SER 30 Ca 0.10 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1cnp n SER 30 Cb 0.46 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1cnp n SER 30 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1cnp n LYS 31 N 5.98 0.00 0.25 1.43 5.02 -1.24 -1.14 118.16 128.45 1cnp n LYS 31 Ca 0.54 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.99 1cnp n LYS 31 Cb 0.37 0.00 0.87 0.00 -0.02 0.00 0.00 35.03 36.24 1cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1cnp h LYS 32 N 0.00 0.00 0.00 1.97 3.11 -1.89 0.19 116.57 119.94 1cnp h LYS 32 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1cnp h LYS 32 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1cnp h LYS 32 CO 0.00 0.00 -0.16 0.93 -2.81 0.00 0.00 179.45 177.41 1cnp h GLU 33 N 0.00 0.00 -0.27 1.90 4.39 -1.49 -3.17 114.58 115.95 1cnp h GLU 33 Ca 0.05 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1cnp h GLU 33 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1cnp h GLU 33 CO -0.00 0.16 -0.11 1.25 -1.16 0.00 0.00 179.01 179.15 1cnp h LEU 34 N 0.00 0.43 -0.39 1.33 7.12 -0.85 -3.00 115.31 119.95 1cnp h LEU 34 Ca -0.00 -0.10 0.08 0.00 0.13 0.00 0.00 57.88 57.98 1cnp h LEU 34 Cb 0.82 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.76 1cnp h LEU 34 CO 0.02 0.58 -0.10 0.11 -0.13 0.00 0.00 178.44 178.91 1cnp h LYS 35 N 0.42 -0.01 0.01 1.25 1.79 -1.58 0.80 116.57 119.24 1cnp h LYS 35 Ca 0.08 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1cnp h LYS 35 Cb 0.45 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1cnp h LYS 35 CO 0.03 -0.01 -0.35 0.93 -1.08 0.00 0.00 179.45 178.97 1cnp h GLU 36 N -0.01 -0.49 -0.17 3.15 3.07 -1.70 -2.86 114.58 115.56 1cnp h GLU 36 Ca 0.19 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1cnp h GLU 36 Cb 0.29 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.26 1cnp h GLU 36 CO -0.40 -0.33 -0.44 1.25 -1.40 0.00 0.00 179.01 177.68 1cnp h LEU 37 N -0.51 -1.43 -0.29 1.33 6.46 -1.12 -0.52 115.31 119.24 1cnp h LEU 37 Ca 0.06 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1cnp h LEU 37 Cb 0.59 0.57 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 1cnp h LEU 37 CO -0.28 -0.38 0.18 -0.29 -0.62 0.00 0.00 178.44 177.06 1cnp h ILE 38 N -0.43 1.08 0.26 4.05 6.09 -0.90 0.41 117.51 128.07 1cnp h ILE 38 Ca 0.03 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 1cnp h ILE 38 Cb 0.53 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1cnp h ILE 38 CO -0.39 0.08 -0.13 1.56 -3.07 0.00 0.00 178.15 176.21 1cnp h GLN 39 N 0.38 -0.34 0.00 2.19 1.08 -1.43 -3.38 115.11 113.61 1cnp h GLN 39 Ca 0.10 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1cnp h GLN 39 Cb -0.03 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1cnp h GLN 39 CO -0.02 -0.12 0.00 1.63 -0.95 0.00 0.00 178.83 179.37 1cnp n LYS 40 N -5.18 0.00 0.00 1.46 5.02 -0.21 -4.77 118.16 114.48 1cnp n LYS 40 Ca -0.10 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1cnp n LYS 40 Cb 0.21 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1cnp n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cnp n GLU 41 N -1.84 0.00 -0.20 1.97 4.71 0.10 -4.66 120.64 120.72 1cnp n GLU 41 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1cnp n GLU 41 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.47 1cnp n GLU 41 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1cnp n LEU 42 N 0.00 -0.28 -4.57 -4.62 -0.00 -1.25 -3.56 117.00 102.72 1cnp n LEU 42 Ca 0.00 0.93 -0.40 0.00 -0.00 0.00 0.00 56.01 56.54 1cnp n LEU 42 Cb 0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 43.14 1cnp n LEU 42 CO 0.00 -0.86 1.94 0.35 -0.00 0.00 0.00 177.39 178.82 1cnp n THR 43 N -4.82 0.13 -4.40 1.47 -2.24 -1.26 -1.12 114.28 102.04 1cnp n THR 43 Ca 0.07 -0.60 -0.40 0.00 -2.27 0.00 0.00 64.05 60.85 1cnp n THR 43 Cb 0.24 -2.59 -0.05 0.00 -2.10 0.00 0.00 70.33 65.82 1cnp n THR 43 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1cnp n ILE 44 N 7.85 -0.48 -0.47 2.28 -5.35 -1.26 -4.50 119.36 117.42 1cnp n ILE 44 Ca 0.34 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.82 1cnp n ILE 44 Cb 0.47 -1.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.32 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cnp n GLY 45 N -1.22 2.89 1.38 3.28 0.00 -0.28 -3.72 105.19 107.52 1cnp n GLY 45 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 2.28 1.97 -2.19 1.61 7.64 -1.26 -4.68 113.62 118.98 1cnp n SER 46 Ca 0.00 -1.30 -0.04 0.00 1.01 0.00 0.00 58.87 58.54 1cnp n SER 46 Cb 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 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 1.26 -2.97 -1.37 1.43 4.01 -1.24 -4.83 118.16 114.45 1cnp n LYS 47 Ca 0.00 2.41 -0.39 0.00 -0.51 0.00 0.00 58.31 59.83 1cnp n LYS 47 Cb 0.24 -3.60 -0.02 0.00 -0.51 0.00 0.00 35.03 31.13 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1cnp n LEU 48 N 1.10 7.84 0.00 -0.35 0.00 -1.26 -4.50 117.00 119.82 1cnp n LEU 48 Ca -0.27 -4.15 0.00 0.00 0.00 0.00 0.00 56.01 51.59 1cnp n LEU 48 Cb 0.42 -1.54 0.00 0.00 0.00 0.00 0.00 43.42 42.31 1cnp n LEU 48 CO 0.25 1.64 0.00 1.67 0.00 0.00 0.00 177.39 180.95 1cnp n GLN 49 N 4.39 0.00 -1.56 1.96 -0.06 -1.26 -4.97 117.38 115.87 1cnp n GLN 49 Ca 0.68 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 55.44 1cnp n GLN 49 Cb 0.27 -3.34 0.17 0.00 -4.06 0.00 0.00 30.24 23.28 1cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1cnp n ASP 50 N 0.00 0.09 0.00 1.69 5.75 -1.26 -4.83 116.55 117.99 1cnp n ASP 50 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1cnp n ASP 50 Cb 0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cnp n ALA 51 N -3.70 0.00 -1.54 2.12 0.00 -1.26 -4.88 120.51 111.25 1cnp n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cnp n ALA 51 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1cnp n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cnp n GLU 52 N -0.63 0.00 0.01 0.00 -0.00 -1.26 -4.90 120.64 113.87 1cnp n GLU 52 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.14 1cnp n GLU 52 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.34 1cnp n GLU 52 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 1cnp n ILE 53 N 0.00 1.22 -0.11 3.84 -0.00 -1.26 -4.51 119.36 118.53 1cnp n ILE 53 Ca 0.00 -0.71 -0.03 0.00 -0.00 0.00 0.00 62.75 62.01 1cnp n ILE 53 Cb 0.00 -0.73 0.18 0.00 -0.00 0.00 0.00 39.64 39.09 1cnp n ILE 53 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1cnp h VAL 54 N 0.00 1.23 0.00 7.28 2.07 -1.98 0.11 116.25 124.96 1cnp h VAL 54 Ca -0.20 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1cnp h VAL 54 Cb 1.67 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1cnp h VAL 54 CO 0.05 0.32 0.00 0.29 0.02 0.00 0.00 177.57 178.25 1cnp n LYS 55 N -4.25 0.10 0.30 1.57 4.76 -1.26 -0.57 118.16 118.81 1cnp n LYS 55 Ca 0.03 0.43 0.19 0.00 -2.87 0.00 0.00 58.31 56.09 1cnp n LYS 55 Cb 0.26 -1.73 0.91 0.00 -1.84 0.00 0.00 35.03 32.63 1cnp n LYS 55 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cnp h LEU 56 N 0.00 0.00 0.82 -0.35 5.85 -1.03 0.32 115.31 120.91 1cnp h LEU 56 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1cnp h LEU 56 Cb 0.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.25 1cnp h LEU 56 CO 0.00 0.01 -0.39 -0.03 -0.34 0.00 0.00 178.44 177.68 1cnp h MET 57 N 0.00 -1.06 -0.10 1.25 4.05 -0.93 -3.23 114.93 114.91 1cnp h MET 57 Ca -0.00 0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 1cnp h MET 57 Cb 0.30 0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1cnp h MET 57 CO 0.00 -0.71 0.15 -0.44 0.23 0.00 0.00 176.91 176.15 1cnp h ASP 58 N -1.28 0.00 0.00 1.39 5.19 -1.48 0.32 116.42 120.56 1cnp h ASP 58 Ca -0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1cnp h ASP 58 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1cnp h ASP 58 CO 0.18 0.00 0.00 -0.67 -3.12 0.00 0.00 179.24 175.63 1cnp n ASP 59 N -3.55 0.00 -0.46 6.45 2.03 0.04 -3.27 116.55 117.79 1cnp n ASP 59 Ca -0.00 -0.34 0.38 0.00 0.52 0.00 0.00 54.79 55.35 1cnp n ASP 59 Cb 0.25 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.27 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1cnp n LEU 60 N -0.54 0.14 -0.47 -2.67 -0.00 0.11 -0.46 117.00 113.12 1cnp n LEU 60 Ca 0.00 1.12 0.36 0.00 -0.00 0.00 0.00 56.01 57.49 1cnp n LEU 60 Cb 0.00 -0.55 0.55 0.00 -0.00 0.00 0.00 43.42 43.43 1cnp n LEU 60 CO 0.00 -1.20 1.04 -0.67 -0.00 0.00 0.00 177.39 176.57 1cnp n ASP 61 N -4.24 0.00 0.23 1.96 2.03 -1.20 -0.23 116.55 115.09 1cnp n ASP 61 Ca 0.36 0.69 0.09 0.00 0.52 0.00 0.00 54.79 56.44 1cnp n ASP 61 Cb 1.45 -0.33 0.28 0.00 -0.72 0.00 0.00 41.12 41.79 1cnp n ASP 61 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1cnp h ARG 62 N 0.00 0.00 -0.43 -0.67 3.08 -1.10 -2.93 114.38 112.34 1cnp h ARG 62 Ca 0.63 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.78 1cnp h ARG 62 Cb 2.63 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 32.60 1cnp h ARG 62 CO -0.01 0.00 -0.08 -1.71 -1.07 0.00 0.00 179.97 177.10 1cnp n ASN 63 N -2.77 -0.13 -3.24 7.04 5.15 0.67 -0.12 115.26 121.86 1cnp n ASN 63 Ca 0.04 0.73 -0.25 0.00 -0.60 0.00 0.00 54.58 54.51 1cnp n ASN 63 Cb 0.94 -0.23 -0.06 0.00 -0.53 0.00 0.00 39.78 39.90 1cnp n ASN 63 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1cnp n LYS 64 N -4.65 1.74 -3.15 1.20 0.00 -1.10 -4.99 118.16 107.20 1cnp n LYS 64 Ca 0.07 -3.98 -0.14 0.00 0.00 0.00 0.00 58.31 54.26 1cnp n LYS 64 Cb 0.24 -1.79 -0.04 0.00 0.00 0.00 0.00 35.03 33.44 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cnp n ASP 65 N 0.85 0.15 -2.47 3.14 5.75 0.83 -0.69 116.55 124.10 1cnp n ASP 65 Ca 0.26 -0.53 -0.16 0.00 -0.01 0.00 0.00 54.79 54.35 1cnp n ASP 65 Cb 0.49 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.91 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cnp n GLN 66 N -2.38 -2.14 -1.14 0.11 6.02 -1.24 -4.86 117.38 111.75 1cnp n GLN 66 Ca -0.10 0.76 -0.33 0.00 -0.01 0.00 0.00 57.00 57.33 1cnp n GLN 66 Cb 0.27 -5.40 -0.04 0.00 1.02 0.00 0.00 30.24 26.09 1cnp n GLN 66 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1cnp n GLU 67 N -2.95 3.16 -2.97 -1.09 4.07 0.13 -3.68 120.64 117.31 1cnp n GLU 67 Ca -0.18 -1.92 -0.40 0.00 -0.06 0.00 0.00 57.16 54.60 1cnp n GLU 67 Cb 0.64 -2.65 -0.05 0.00 -0.06 0.00 0.00 31.44 29.32 1cnp n GLU 67 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1cnp s VAL 68 N 2.41 4.88 0.51 6.31 1.01 -1.26 -4.96 120.40 129.31 1cnp s VAL 68 Ca 0.62 1.61 0.01 0.00 0.00 0.00 0.00 61.98 64.21 1cnp s VAL 68 Cb 0.17 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1cnp s VAL 68 CO -0.05 0.29 0.01 0.21 0.00 0.00 0.00 175.10 175.56 1cnp s ASN 69 N 0.43 4.09 0.27 3.32 2.47 -1.26 0.00 114.94 124.25 1cnp s ASN 69 Ca 0.40 -1.67 -0.01 0.00 0.42 0.00 0.00 52.86 52.00 1cnp s ASN 69 Cb -0.19 0.56 0.51 0.00 -1.45 0.00 0.00 41.25 40.68 1cnp s ASN 69 CO 0.22 -0.87 1.81 0.15 -3.72 0.00 0.00 177.10 174.68 1cnp h PHE 70 N 1.35 0.97 0.03 0.43 3.57 -1.98 -0.67 116.94 120.65 1cnp h PHE 70 Ca -0.44 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1cnp h PHE 70 Cb 1.32 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1cnp h PHE 70 CO 1.56 0.35 -0.16 0.37 -2.23 0.00 0.00 178.31 178.20 1cnp h GLN 71 N 0.84 -0.26 -0.19 1.11 4.15 -1.98 0.71 115.11 119.48 1cnp h GLN 71 Ca 0.47 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.89 1cnp h GLN 71 Cb 0.51 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1cnp h GLN 71 CO -0.29 -0.18 0.05 0.93 -1.93 0.00 0.00 178.83 177.42 1cnp h GLU 72 N -0.27 0.30 -0.12 1.69 3.07 -1.67 0.22 114.58 117.79 1cnp h GLU 72 Ca 0.04 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1cnp h GLU 72 Cb 0.33 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 1cnp h GLU 72 CO -0.13 0.42 -0.47 -0.92 -1.40 0.00 0.00 179.01 176.50 1cnp h TYR 73 N 0.12 -1.40 -0.45 4.33 3.20 -1.04 0.89 116.97 122.63 1cnp h TYR 73 Ca 0.06 0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.86 1cnp h TYR 73 Cb 0.25 0.63 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1cnp h TYR 73 CO 0.00 -0.47 -0.21 0.97 -1.64 0.00 0.00 178.16 176.81 1cnp h ILE 74 N -0.50 1.27 -0.01 1.81 6.09 -0.66 -0.33 117.51 125.19 1cnp h ILE 74 Ca 0.03 -1.37 0.02 0.00 -1.37 0.00 0.00 64.86 62.17 1cnp h ILE 74 Cb 0.58 1.20 -0.05 0.00 0.47 0.00 0.00 36.82 39.02 1cnp h ILE 74 CO -0.38 0.47 -0.52 0.74 -3.07 0.00 0.00 178.15 175.38 1cnp h THR 75 N 0.77 0.00 -0.58 2.19 2.02 -0.41 0.18 112.91 117.08 1cnp h THR 75 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1cnp h THR 75 Cb 0.78 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1cnp h THR 75 CO 0.06 0.00 0.36 2.19 0.37 0.00 0.00 175.52 178.51 1cnp h PHE 76 N -0.65 0.75 -0.62 3.16 -5.15 -0.66 0.53 116.94 114.30 1cnp h PHE 76 Ca 0.01 0.01 0.12 0.00 -0.20 0.00 0.00 57.97 57.91 1cnp h PHE 76 Cb 0.70 -0.25 -0.12 0.00 0.22 0.00 0.00 35.95 36.50 1cnp h PHE 76 CO -0.52 0.50 -0.23 1.25 -2.00 0.00 0.00 178.31 177.32 1cnp h LEU 77 N 0.78 -0.80 0.23 2.10 6.46 -0.67 0.70 115.31 124.11 1cnp h LEU 77 Ca 0.21 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 1cnp h LEU 77 Cb -0.05 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.33 1cnp h LEU 77 CO -0.04 -0.25 -0.21 1.23 -0.62 0.00 0.00 178.44 178.54 1cnp h GLY 78 N -0.07 -0.47 0.49 3.75 0.00 0.62 0.14 103.07 107.53 1cnp h GLY 78 Ca 0.28 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1cnp h GLY 78 CO -0.67 -0.20 -0.21 0.00 0.00 0.00 0.00 176.54 175.46 1cnp h ALA 79 N 0.24 -0.27 -0.29 3.60 0.00 -0.39 0.67 119.26 122.83 1cnp h ALA 79 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1cnp h ALA 79 Cb 0.43 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1cnp h ALA 79 CO -0.04 -0.71 -0.03 -0.07 0.00 0.00 0.00 179.25 178.40 1cnp h LEU 80 N -0.33 -0.18 -0.66 0.00 4.07 -0.76 -2.00 115.31 115.44 1cnp h LEU 80 Ca 0.06 0.07 0.08 0.00 0.08 0.00 0.00 57.88 58.17 1cnp h LEU 80 Cb 0.42 0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 1cnp h LEU 80 CO -0.20 -0.06 0.33 0.00 -1.08 0.00 0.00 178.44 177.43 1cnp h ALA 81 N 1.26 0.88 -0.08 1.53 0.00 -0.24 0.28 119.26 122.91 1cnp h ALA 81 Ca 0.14 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1cnp h ALA 81 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1cnp h ALA 81 CO -0.26 -0.04 0.17 1.98 0.00 0.00 0.00 179.25 181.10 1cnp h MET 82 N 0.59 0.00 0.00 0.00 -1.53 -0.12 0.29 114.93 114.16 1cnp h MET 82 Ca 0.31 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.57 1cnp h MET 82 Cb 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.33 1cnp h MET 82 CO -0.23 0.00 0.00 -0.89 0.14 0.00 0.00 176.91 175.93 1cnp n ILE 83 N -3.35 0.00 0.26 1.77 2.08 0.14 -4.36 119.36 115.90 1cnp n ILE 83 Ca -0.01 0.28 0.11 0.00 0.56 0.00 0.00 62.75 63.69 1cnp n ILE 83 Cb 0.26 -1.07 0.72 0.00 -0.75 0.00 0.00 39.64 38.79 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 0.00 0.00 -0.52 1.39 -0.00 -0.48 0.56 116.97 117.93 1cnp h TYR 84 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.50 1cnp h TYR 84 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 36.60 1cnp h TYR 84 CO 0.00 0.09 0.29 -1.71 -0.00 0.00 0.00 178.16 176.83 1cnp n ASN 85 N -3.96 3.51 0.00 0.10 5.15 0.10 -4.91 115.26 115.25 1cnp n ASN 85 Ca -0.02 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1cnp n ASN 85 Cb 0.18 -0.67 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 1cnp n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cnp n GLU 86 N -0.25 0.00 -0.20 1.20 -0.58 0.19 -0.88 120.64 120.11 1cnp n GLU 86 Ca 0.30 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.20 1cnp n GLU 86 Cb 1.09 0.00 0.30 0.00 -0.57 0.00 0.00 31.44 32.26 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cnp n ALA 87 N -2.70 0.52 -0.19 0.62 0.00 -1.26 -0.75 120.51 116.74 1cnp n ALA 87 Ca 0.00 0.64 0.09 0.00 0.00 0.00 0.00 53.44 54.17 1cnp n ALA 87 Cb 0.00 -0.58 0.17 0.00 0.00 0.00 0.00 19.45 19.04 1cnp n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cnp n LEU 88 N -4.54 -0.06 -0.04 0.00 0.00 -0.06 -0.37 117.00 111.93 1cnp n LEU 88 Ca 0.20 0.94 -0.01 0.00 0.00 0.00 0.00 56.01 57.14 1cnp n LEU 88 Cb 0.68 -0.35 0.26 0.00 0.00 0.00 0.00 43.42 44.01 1cnp n LEU 88 CO -0.01 -0.96 0.94 0.11 0.00 0.00 0.00 177.39 177.46 1cnp h LYS 89 N 0.00 0.62 0.00 1.96 1.57 -1.20 -3.51 116.57 116.01 1cnp h LYS 89 Ca 0.34 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1cnp h LYS 89 Cb 0.71 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1cnp h LYS 89 CO -0.52 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.39