#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 0.13 -1.08 3.04 0.00 -1.26 -4.85 120.51 116.49 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 0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.79 3.60 0.42 0.00 1.04 -1.26 -4.66 113.70 112.05 1cnp s SER 3 Ca 0.00 1.77 0.21 0.00 0.48 0.00 0.00 55.95 58.41 1cnp s SER 3 Cb 0.00 -2.40 1.18 0.00 0.10 0.00 0.00 66.02 64.90 1cnp s SER 3 CO 0.00 -2.60 1.78 -0.65 0.98 0.00 0.00 173.24 172.75 1cnp h PRO 4 N -1.52 0.31 -0.11 4.02 0.11 -1.98 0.14 132.00 132.97 1cnp h PRO 4 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1cnp h PRO 4 Cb 1.26 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1cnp h PRO 4 CO 0.50 0.21 0.04 1.25 -0.21 0.00 0.00 178.00 179.79 1cnp h LEU 5 N 0.32 0.16 -0.25 2.35 5.85 -1.98 0.15 115.31 121.91 1cnp h LEU 5 Ca 0.59 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 59.15 1cnp h LEU 5 Cb 1.63 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 1cnp h LEU 5 CO -0.25 0.32 0.00 0.44 -0.34 0.00 0.00 178.44 178.62 1cnp h ASP 6 N -0.00 -0.09 -0.51 1.25 3.32 -1.25 0.68 116.42 119.82 1cnp h ASP 6 Ca 0.04 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1cnp h ASP 6 Cb 0.22 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1cnp h ASP 6 CO -0.00 -0.01 0.16 1.56 -1.72 0.00 0.00 179.24 179.23 1cnp h GLN 7 N 0.08 0.32 0.13 3.56 1.08 -0.68 0.54 115.11 120.14 1cnp h GLN 7 Ca 0.12 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1cnp h GLN 7 Cb 0.15 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1cnp h GLN 7 CO -0.20 0.21 -0.20 0.00 -0.95 0.00 0.00 178.83 177.69 1cnp h ALA 8 N 1.36 -0.35 -0.24 3.87 0.00 0.12 0.16 119.26 124.18 1cnp h ALA 8 Ca 0.25 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1cnp h ALA 8 Cb 0.30 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1cnp h ALA 8 CO -0.28 -0.73 -0.20 0.82 0.00 0.00 0.00 179.25 178.86 1cnp h ILE 9 N -0.39 0.46 -0.29 0.00 2.04 -0.45 0.91 117.51 119.79 1cnp h ILE 9 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 1cnp h ILE 9 Cb 0.40 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1cnp h ILE 9 CO -0.09 0.00 -0.34 1.23 0.00 0.00 0.00 178.15 178.94 1cnp h GLY 10 N -0.20 -0.38 0.96 5.37 0.00 -0.50 0.30 103.07 108.62 1cnp h GLY 10 Ca 0.14 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1cnp h GLY 10 CO -0.36 -0.21 -0.17 -2.00 0.00 0.00 0.00 176.54 173.81 1cnp h LEU 11 N -0.33 -0.40 0.10 3.11 5.85 -0.00 0.17 115.31 123.80 1cnp h LEU 11 Ca 0.13 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1cnp h LEU 11 Cb 0.55 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1cnp h LEU 11 CO -0.47 -0.27 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.24 1cnp h LEU 12 N -0.44 -0.11 -0.64 2.25 4.07 -0.65 0.95 115.31 120.74 1cnp h LEU 12 Ca -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1cnp h LEU 12 Cb 0.35 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 1cnp h LEU 12 CO 0.05 -0.08 0.22 0.40 -1.08 0.00 0.00 178.44 177.95 1cnp h ILE 13 N -0.13 1.24 0.49 1.22 2.04 -0.91 -0.42 117.51 121.04 1cnp h ILE 13 Ca -0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1cnp h ILE 13 Cb 0.10 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1cnp h ILE 13 CO 0.02 0.31 -0.47 1.23 0.00 0.00 0.00 178.15 179.25 1cnp h GLY 14 N 0.92 -1.23 1.22 5.37 0.00 -0.29 0.27 103.07 109.32 1cnp h GLY 14 Ca 0.21 0.57 0.02 0.00 0.00 0.00 0.00 47.33 48.13 1cnp h GLY 14 CO -0.01 -0.37 0.49 -2.22 0.00 0.00 0.00 176.54 174.42 1cnp h ILE 15 N -0.95 1.15 0.00 2.60 2.04 -0.77 0.12 117.51 121.70 1cnp h ILE 15 Ca -0.06 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1cnp h ILE 15 Cb 0.82 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1cnp h ILE 15 CO -0.05 0.17 0.00 0.33 0.00 0.00 0.00 178.15 178.61 1cnp n PHE 16 N -4.44 0.00 0.08 1.37 7.35 -0.17 -4.06 117.46 117.58 1cnp n PHE 16 Ca 0.09 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 1cnp n PHE 16 Cb 0.08 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 39.58 1cnp n PHE 16 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1cnp h HIS 17 N 0.00 0.11 -0.68 -5.13 2.76 -0.23 -3.21 115.15 108.76 1cnp h HIS 17 Ca 0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1cnp h HIS 17 Cb 0.00 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1cnp h HIS 17 CO 0.08 0.99 0.43 -0.22 -1.30 0.00 0.00 177.93 177.91 1cnp h LYS 18 N 0.02 0.91 0.00 5.26 3.11 -0.92 -0.66 116.57 124.28 1cnp h LYS 18 Ca -0.03 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1cnp h LYS 18 Cb 1.68 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.71 1cnp h LYS 18 CO 0.13 0.62 0.00 0.66 -2.81 0.00 0.00 179.45 178.05 1cnp n TYR 19 N -4.41 0.00 0.21 1.91 4.02 -1.21 -0.90 117.16 116.77 1cnp n TYR 19 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 58.01 1cnp n TYR 19 Cb 0.05 -0.35 0.49 0.00 -0.02 0.00 0.00 39.34 39.52 1cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1cnp h SER 20 N 0.00 0.02 0.00 7.72 0.02 -1.24 -3.42 113.55 116.66 1cnp h SER 20 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cnp h SER 20 Cb 0.13 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1cnp h SER 20 CO 0.00 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1cnp n GLY 21 N -1.01 2.13 0.00 -3.77 0.00 -0.08 -4.56 105.19 97.90 1cnp n GLY 21 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 2.31 0.00 1.61 4.76 -1.26 -4.95 118.16 120.63 1cnp n LYS 22 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cnp n LYS 22 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cnp n GLU 23 N 0.00 2.68 -1.94 1.97 4.71 -1.26 -4.22 120.64 122.57 1cnp n GLU 23 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1cnp n GLU 23 Cb 0.00 -0.74 0.06 0.00 -1.01 0.00 0.00 31.44 29.75 1cnp n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cnp n GLY 24 N 1.62 0.92 0.00 0.62 0.00 -1.26 -4.68 105.19 102.41 1cnp n GLY 24 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1cnp n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cnp h ASP 25 N 0.52 0.00 -3.23 1.61 2.03 -1.90 -3.42 116.42 112.03 1cnp h ASP 25 Ca -0.34 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.38 1cnp h ASP 25 Cb 1.20 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.60 1cnp h ASP 25 CO -0.15 0.01 0.79 -0.54 -1.03 0.00 0.00 179.24 178.31 1cnp s LYS 26 N -1.01 3.44 0.31 4.15 -0.14 -1.26 -4.90 119.74 120.34 1cnp s LYS 26 Ca -0.00 0.04 0.04 0.00 -1.36 0.00 0.00 55.97 54.69 1cnp s LYS 26 Cb 0.00 -4.02 0.51 0.00 -1.68 0.00 0.00 37.83 32.64 1cnp s LYS 26 CO 0.00 -1.57 1.80 0.45 -0.76 0.00 0.00 175.35 175.27 1cnp h HIS 27 N 9.42 0.52 -2.68 3.18 3.86 -1.97 -3.40 115.15 124.08 1cnp h HIS 27 Ca -0.25 -0.08 -0.51 0.00 -1.16 0.00 0.00 60.37 58.37 1cnp h HIS 27 Cb 1.06 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1cnp h HIS 27 CO 0.98 0.61 -0.33 0.95 0.86 0.00 0.00 177.93 180.99 1cnp s THR 28 N -4.71 5.20 0.26 2.45 -4.23 -1.26 -4.77 115.64 108.57 1cnp s THR 28 Ca -0.07 -0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 59.61 1cnp s THR 28 Cb 0.15 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 1cnp s THR 28 CO 0.78 -0.29 1.20 -0.76 -0.54 0.00 0.00 174.62 175.00 1cnp s LEU 29 N -3.68 4.48 -0.27 4.79 1.02 -0.12 -4.87 118.68 120.02 1cnp s LEU 29 Ca 0.38 2.37 -0.06 0.00 0.02 0.00 0.00 54.13 56.84 1cnp s LEU 29 Cb -0.10 -3.62 -0.16 0.00 0.02 0.00 0.00 46.19 42.32 1cnp s LEU 29 CO 0.31 -0.34 3.32 -1.54 0.02 0.00 0.00 176.35 178.12 1cnp n SER 30 N 1.63 5.90 0.00 2.29 3.41 -1.26 -4.24 113.62 121.34 1cnp n SER 30 Ca 0.01 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1cnp n SER 30 Cb 0.44 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1cnp n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cnp n LYS 31 N 2.12 0.00 -0.26 4.33 5.02 -1.25 -4.17 118.16 123.95 1cnp n LYS 31 Ca 0.48 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.73 1cnp n LYS 31 Cb 0.75 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.90 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 1.11 -0.72 1.97 -0.00 -1.89 0.10 116.57 117.14 1cnp h LYS 32 Ca 0.00 -0.16 0.10 0.00 -0.00 0.00 0.00 60.65 60.59 1cnp h LYS 32 Cb 0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 32.23 31.98 1cnp h LYS 32 CO 0.00 0.85 0.48 0.93 -0.00 0.00 0.00 179.45 181.71 1cnp h GLU 33 N 1.10 0.58 -0.51 0.07 3.07 -1.89 -2.60 114.58 114.41 1cnp h GLU 33 Ca 0.27 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1cnp h GLU 33 Cb 0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1cnp h GLU 33 CO -0.03 0.38 0.22 1.25 -1.40 0.00 0.00 179.01 179.43 1cnp h LEU 34 N 0.60 0.69 -2.57 1.33 6.46 -1.11 -0.11 115.31 120.59 1cnp h LEU 34 Ca 0.34 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1cnp h LEU 34 Cb 0.51 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1cnp h LEU 34 CO -0.12 0.65 -0.00 0.50 -0.62 0.00 0.00 178.44 178.85 1cnp h LYS 35 N 0.68 0.00 0.01 1.25 3.64 -1.43 -0.31 116.57 120.40 1cnp h LYS 35 Ca 0.17 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1cnp h LYS 35 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1cnp h LYS 35 CO -0.02 0.00 -0.00 1.49 -2.27 0.00 0.00 179.45 178.65 1cnp h GLU 36 N 0.00 -0.01 -0.85 1.90 4.57 -1.30 -3.36 114.58 115.53 1cnp h GLU 36 Ca -0.00 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 1cnp h GLU 36 Cb 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.64 1cnp h GLU 36 CO 0.00 0.81 0.44 1.25 -1.18 0.00 0.00 179.01 180.34 1cnp h LEU 37 N -0.97 0.55 -1.49 1.64 6.46 0.13 0.90 115.31 122.53 1cnp h LEU 37 Ca -0.00 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1cnp h LEU 37 Cb 0.82 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1cnp h LEU 37 CO 0.00 0.24 -0.00 0.16 -0.62 0.00 0.00 178.44 178.22 1cnp h ILE 38 N 0.64 1.14 0.79 4.05 3.07 -1.28 -3.16 117.51 122.76 1cnp h ILE 38 Ca 0.46 -0.55 -0.04 0.00 1.55 0.00 0.00 64.86 66.28 1cnp h ILE 38 Cb 0.64 0.98 0.01 0.00 -0.27 0.00 0.00 36.82 38.17 1cnp h ILE 38 CO -0.35 0.18 -0.38 -0.61 -1.05 0.00 0.00 178.15 175.94 1cnp h GLN 39 N 0.32 -1.02 0.01 0.16 5.75 -0.96 -0.71 115.11 118.66 1cnp h GLN 39 Ca 0.07 0.07 -0.31 0.00 -0.15 0.00 0.00 58.65 58.33 1cnp h GLN 39 Cb 0.22 0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1cnp h GLN 39 CO 0.00 -0.67 -1.72 1.63 -2.65 0.00 0.00 178.83 175.43 1cnp n LYS 40 N -5.50 0.60 -0.09 1.69 5.02 -1.25 -4.52 118.16 114.11 1cnp n LYS 40 Ca -0.14 0.45 -0.22 0.00 -2.02 0.00 0.00 58.31 56.38 1cnp n LYS 40 Cb 0.43 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 1cnp n LYS 40 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1cnp h GLU 41 N -0.84 0.02 0.00 1.97 9.09 -1.76 -3.43 114.58 119.62 1cnp h GLU 41 Ca -0.46 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1cnp h GLU 41 Cb 1.49 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.60 1cnp h GLU 41 CO -0.23 1.02 0.00 1.28 0.05 0.00 0.00 179.01 181.13 1cnp n LEU 42 N -4.36 0.03 -4.56 3.06 4.77 -1.19 -4.76 117.00 109.99 1cnp n LEU 42 Ca -0.32 0.55 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 1cnp n LEU 42 Cb 0.71 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1cnp n LEU 42 CO 0.21 -0.49 1.39 0.42 -1.33 0.00 0.00 177.39 177.58 1cnp s THR 43 N -1.21 3.72 0.00 -5.08 -4.23 -0.27 -4.85 115.64 103.72 1cnp s THR 43 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1cnp s THR 43 Cb 0.00 -4.71 0.00 0.00 1.34 0.00 0.00 72.50 69.13 1cnp s THR 43 CO 0.00 -1.63 0.20 -0.38 -0.54 0.00 0.00 174.62 172.27 1cnp n ILE 44 N 6.98 0.00 -3.14 2.99 2.08 -1.26 -4.80 119.36 122.20 1cnp n ILE 44 Ca 0.25 0.45 -0.17 0.00 0.56 0.00 0.00 62.75 63.85 1cnp n ILE 44 Cb 0.50 -0.96 -0.02 0.00 -0.75 0.00 0.00 39.64 38.41 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cnp n GLY 45 N 1.43 -0.48 4.30 7.39 0.00 -1.26 -1.13 105.19 115.44 1cnp n GLY 45 Ca 0.00 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.95 -2.42 -0.25 1.61 7.64 -1.26 -4.83 113.62 112.16 1cnp n SER 46 Ca 0.00 -1.06 0.03 0.00 1.01 0.00 0.00 58.87 58.85 1cnp n SER 46 Cb 0.52 -2.05 0.26 0.00 -1.01 0.00 0.00 64.21 61.93 1cnp n SER 46 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1cnp h LYS 47 N -1.06 0.96 0.00 1.43 1.57 -1.44 -3.45 116.57 114.57 1cnp h LYS 47 Ca -0.56 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1cnp h LYS 47 Cb 1.37 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1cnp h LYS 47 CO 0.81 0.63 0.00 -0.11 -0.57 0.00 0.00 179.45 180.21 1cnp n LEU 48 N -4.45 0.00 0.12 2.94 -0.00 -1.26 -1.55 117.00 112.80 1cnp n LEU 48 Ca 0.11 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.24 1cnp n LEU 48 Cb 0.12 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.67 1cnp n LEU 48 CO 0.35 0.00 0.37 0.06 -0.00 0.00 0.00 177.39 178.17 1cnp h GLN 49 N 0.00 0.00 0.00 1.96 -0.00 -2.01 -3.49 115.11 111.57 1cnp h GLN 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1cnp h GLN 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1cnp h GLN 49 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 1cnp n ASP 50 N -2.58 0.00 0.00 0.06 -0.08 -0.60 -4.97 116.55 108.38 1cnp n ASP 50 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1cnp n ASP 50 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp n ALA 51 N 11.96 -0.15 -0.02 -1.67 0.00 -1.26 -4.37 120.51 125.00 1cnp n ALA 51 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1cnp n ALA 51 Cb 0.00 -0.04 0.57 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.25 -0.92 0.00 4.39 -1.97 0.42 114.58 116.75 1cnp h GLU 52 Ca 0.00 -0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.88 1cnp h GLU 52 Cb 0.00 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 28.48 1cnp h GLU 52 CO 0.00 0.16 0.48 0.82 -1.16 0.00 0.00 179.01 179.31 1cnp h ILE 53 N 0.25 0.60 0.14 3.13 1.08 -2.01 0.20 117.51 120.91 1cnp h ILE 53 Ca 0.24 -0.19 -0.28 0.00 -0.39 0.00 0.00 64.86 64.23 1cnp h ILE 53 Cb 0.61 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1cnp h ILE 53 CO -0.05 0.10 -1.27 0.58 -0.69 0.00 0.00 178.15 176.82 1cnp h VAL 54 N 0.56 1.47 0.00 1.67 2.07 -0.50 -3.26 116.25 118.27 1cnp h VAL 54 Ca 0.55 -3.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1cnp h VAL 54 Cb 0.93 2.96 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1cnp h VAL 54 CO -0.44 0.88 -0.01 0.11 0.02 0.00 0.00 177.57 178.13 1cnp h LYS 55 N 0.09 0.00 -0.73 1.57 1.57 0.11 0.22 116.57 119.38 1cnp h LYS 55 Ca -0.15 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.84 1cnp h LYS 55 Cb 2.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.27 1cnp h LYS 55 CO 0.21 0.01 0.52 -0.07 -0.57 0.00 0.00 179.45 179.56 1cnp h LEU 56 N 0.00 0.05 0.43 2.94 4.07 -0.74 0.20 115.31 122.26 1cnp h LEU 56 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1cnp h LEU 56 Cb 0.04 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1cnp h LEU 56 CO 0.00 0.02 -0.21 -0.03 -1.08 0.00 0.00 178.44 177.14 1cnp h MET 57 N 0.05 -0.56 -0.53 1.13 4.05 -0.77 -3.32 114.93 114.99 1cnp h MET 57 Ca 0.35 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.91 1cnp h MET 57 Cb 1.34 0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 32.16 1cnp h MET 57 CO -0.02 -0.25 -0.28 -0.44 0.23 0.00 0.00 176.91 176.14 1cnp h ASP 58 N -0.93 -0.98 0.00 1.39 3.32 -1.14 -3.13 116.42 114.94 1cnp h ASP 58 Ca -0.06 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1cnp h ASP 58 Cb 0.57 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1cnp h ASP 58 CO 0.10 -0.28 0.00 0.47 -1.72 0.00 0.00 179.24 177.80 1cnp n ASP 59 N -5.43 0.35 -0.05 6.45 8.00 0.55 -3.40 116.55 123.02 1cnp n ASP 59 Ca 0.04 -0.58 -0.11 0.00 0.71 0.00 0.00 54.79 54.84 1cnp n ASP 59 Cb 0.34 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.24 1cnp n ASP 59 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1cnp h LEU 60 N 0.80 0.27 -1.05 0.64 5.85 -1.74 -2.85 115.31 117.24 1cnp h LEU 60 Ca 0.00 -0.26 0.25 0.00 0.84 0.00 0.00 57.88 58.72 1cnp h LEU 60 Cb 0.16 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 40.99 1cnp h LEU 60 CO 0.00 0.46 0.61 -2.24 -0.34 0.00 0.00 178.44 176.93 1cnp h ASP 61 N 0.07 0.63 0.01 1.25 2.03 -1.88 -1.07 116.42 117.47 1cnp h ASP 61 Ca 0.05 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1cnp h ASP 61 Cb 0.31 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1cnp h ASP 61 CO 0.00 0.08 0.00 -1.14 -1.03 0.00 0.00 179.24 177.16 1cnp n ARG 62 N -4.86 0.01 0.00 4.15 3.00 -1.07 -4.27 116.66 113.61 1cnp n ARG 62 Ca 0.27 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.44 1cnp n ARG 62 Cb 0.78 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1cnp n ARG 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1cnp n ASN 63 N -1.32 0.00 -4.57 6.15 5.15 -0.41 -0.59 115.26 119.67 1cnp n ASN 63 Ca 0.00 0.22 -0.42 0.00 -0.60 0.00 0.00 54.58 53.79 1cnp n ASN 63 Cb 0.00 -0.04 -0.02 0.00 -0.53 0.00 0.00 39.78 39.20 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 -1.45 3.75 -1.53 1.20 -2.85 -1.26 -4.30 119.74 113.29 1cnp s LYS 64 Ca 0.00 -1.52 -0.01 0.00 -1.00 0.00 0.00 55.97 53.43 1cnp s LYS 64 Cb 0.00 -5.44 0.01 0.00 -2.06 0.00 0.00 37.83 30.35 1cnp s LYS 64 CO 0.00 -2.28 0.14 -3.47 0.10 0.00 0.00 175.35 169.85 1cnp n ASP 65 N 8.81 0.44 0.00 0.03 2.03 -1.23 -1.26 116.55 125.38 1cnp n ASP 65 Ca 0.41 -1.21 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1cnp n ASP 65 Cb 0.49 -1.97 0.00 0.00 -0.72 0.00 0.00 41.12 38.92 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 -4.52 -0.88 -3.33 -0.67 3.00 0.24 -4.90 117.38 106.33 1cnp n GLN 66 Ca -0.30 0.22 -0.45 0.00 -0.01 0.00 0.00 57.00 56.47 1cnp n GLN 66 Cb 0.68 -4.54 -0.07 0.00 0.00 0.00 0.00 30.24 26.32 1cnp n GLN 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1cnp s GLU 67 N -1.34 3.00 0.03 -1.09 2.02 -0.39 -3.89 118.70 117.05 1cnp s GLU 67 Ca 0.00 -1.38 -0.13 0.00 0.02 0.00 0.00 54.97 53.47 1cnp s GLU 67 Cb 0.00 -4.18 -0.06 0.00 0.10 0.00 0.00 34.13 30.00 1cnp s GLU 67 CO 0.00 -1.15 0.41 0.14 0.02 0.00 0.00 175.26 174.68 1cnp s VAL 68 N 1.80 5.04 0.46 2.63 -7.23 -1.26 -4.72 120.40 117.12 1cnp s VAL 68 Ca 0.05 0.74 0.08 0.00 -1.81 0.00 0.00 61.98 61.05 1cnp s VAL 68 Cb -0.25 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.01 1cnp s VAL 68 CO 0.06 0.49 0.50 0.21 -0.31 0.00 0.00 175.10 176.06 1cnp s ASN 69 N -1.28 5.15 0.24 4.85 2.47 -1.26 -0.94 114.94 124.17 1cnp s ASN 69 Ca 0.27 -0.75 -0.05 0.00 0.42 0.00 0.00 52.86 52.74 1cnp s ASN 69 Cb -0.16 -0.30 0.38 0.00 -1.45 0.00 0.00 41.25 39.72 1cnp s ASN 69 CO 0.15 -0.87 1.78 0.15 -3.72 0.00 0.00 177.10 174.59 1cnp h PHE 70 N 0.74 0.70 0.29 0.43 3.57 -1.99 -1.49 116.94 119.19 1cnp h PHE 70 Ca -0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1cnp h PHE 70 Cb 1.28 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1cnp h PHE 70 CO 0.54 0.24 -0.40 0.37 -2.23 0.00 0.00 178.31 176.83 1cnp h GLN 71 N 0.64 -0.72 0.24 1.11 -0.00 -1.98 0.18 115.11 114.58 1cnp h GLN 71 Ca 0.38 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 59.07 1cnp h GLN 71 Cb 0.42 0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.07 1cnp h GLN 71 CO -0.28 -0.48 -0.11 0.93 0.00 0.00 0.00 178.83 178.88 1cnp h GLU 72 N -0.75 -0.30 -0.42 1.69 3.07 -1.86 0.12 114.58 116.13 1cnp h GLU 72 Ca -0.01 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1cnp h GLU 72 Cb 0.70 0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.59 1cnp h GLU 72 CO -0.13 -0.20 -0.41 -0.92 -1.40 0.00 0.00 179.01 175.95 1cnp h TYR 73 N -0.32 -1.19 -0.13 4.33 3.20 -1.16 0.21 116.97 121.90 1cnp h TYR 73 Ca -0.03 0.07 -0.23 0.00 3.14 0.00 0.00 58.73 61.68 1cnp h TYR 73 Cb 0.25 0.58 0.01 0.00 1.54 0.00 0.00 36.73 39.11 1cnp h TYR 73 CO -0.06 -0.43 -0.82 0.97 -1.64 0.00 0.00 178.16 176.18 1cnp h ILE 74 N -0.31 1.28 -0.20 1.81 6.09 -0.46 -0.20 117.51 125.53 1cnp h ILE 74 Ca 0.15 -2.02 0.06 0.00 -1.37 0.00 0.00 64.86 61.67 1cnp h ILE 74 Cb 0.58 2.05 -0.06 0.00 0.47 0.00 0.00 36.82 39.85 1cnp h ILE 74 CO -0.58 0.64 -0.21 0.74 -3.07 0.00 0.00 178.15 175.67 1cnp h THR 75 N 0.51 0.47 0.06 2.19 2.02 -0.54 0.18 112.91 117.80 1cnp h THR 75 Ca -0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1cnp h THR 75 Cb 1.45 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1cnp h THR 75 CO 0.17 0.00 -0.32 0.15 0.37 0.00 0.00 175.52 175.89 1cnp h PHE 76 N -0.23 -0.88 -0.59 3.16 3.57 -0.83 0.11 116.94 121.26 1cnp h PHE 76 Ca 0.12 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.76 1cnp h PHE 76 Cb 0.41 0.38 -0.12 0.00 2.79 0.00 0.00 35.95 39.42 1cnp h PHE 76 CO -0.35 -0.42 -0.30 1.25 -2.23 0.00 0.00 178.31 176.26 1cnp h LEU 77 N -0.51 -1.05 -0.17 0.59 6.46 -0.52 -0.28 115.31 119.82 1cnp h LEU 77 Ca 0.05 0.22 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1cnp h LEU 77 Cb 0.57 0.54 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 1cnp h LEU 77 CO -0.23 -0.29 -0.08 1.23 -0.62 0.00 0.00 178.44 178.45 1cnp h GLY 78 N -0.14 0.07 0.85 3.75 0.00 -0.07 0.23 103.07 107.76 1cnp h GLY 78 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1cnp h GLY 78 CO -0.67 -0.10 -0.14 0.00 0.00 0.00 0.00 176.54 175.63 1cnp h ALA 79 N 1.09 -0.28 -0.15 3.60 0.00 0.06 0.67 119.26 124.25 1cnp h ALA 79 Ca 0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1cnp h ALA 79 Cb 0.21 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cnp h ALA 79 CO -0.22 -0.68 -0.47 -0.07 0.00 0.00 0.00 179.25 177.82 1cnp h LEU 80 N -0.31 0.41 -0.08 0.00 4.07 -0.94 -2.82 115.31 115.65 1cnp h LEU 80 Ca 0.00 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.79 1cnp h LEU 80 Cb 0.29 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1cnp h LEU 80 CO -0.03 0.82 -0.05 0.00 -1.08 0.00 0.00 178.44 178.10 1cnp h ALA 81 N 1.20 0.02 -1.05 1.53 0.00 -0.28 0.10 119.26 120.78 1cnp h ALA 81 Ca 0.02 0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.23 1cnp h ALA 81 Cb 0.94 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1cnp h ALA 81 CO 0.08 -0.52 0.66 0.52 0.00 0.00 0.00 179.25 179.99 1cnp h MET 82 N -0.05 0.40 0.08 0.00 2.86 -0.63 0.16 114.93 117.76 1cnp h MET 82 Ca 0.05 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1cnp h MET 82 Cb 0.12 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1cnp h MET 82 CO -0.11 0.27 -0.04 0.82 1.06 0.00 0.00 176.91 178.91 1cnp h ILE 83 N 0.42 0.00 0.00 -1.22 2.04 -1.11 -3.41 117.51 114.23 1cnp h ILE 83 Ca 0.62 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.93 1cnp h ILE 83 Cb 1.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1cnp h ILE 83 CO -0.34 0.00 -0.81 0.10 0.00 0.00 0.00 178.15 177.09 1cnp h TYR 84 N -0.49 0.00 -0.43 1.37 -0.00 -0.59 -3.34 116.97 113.48 1cnp h TYR 84 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.58 1cnp h TYR 84 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.74 1cnp h TYR 84 CO 0.02 0.81 0.17 -1.71 -0.00 0.00 0.00 178.16 177.46 1cnp n ASN 85 N -3.50 3.55 -1.83 0.10 5.15 0.53 -4.86 115.26 114.40 1cnp n ASN 85 Ca -0.00 -2.70 -0.20 0.00 -0.60 0.00 0.00 54.58 51.08 1cnp n ASN 85 Cb 0.80 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.35 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 -0.01 0.00 0.00 1.20 -0.58 -1.26 -4.10 120.64 115.89 1cnp n GLU 86 Ca 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1cnp n GLU 86 Cb 0.96 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 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 3.86 0.00 -0.35 0.62 0.00 -1.26 -4.96 120.51 118.42 1cnp n ALA 87 Ca 0.26 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.86 1cnp n ALA 87 Cb 0.00 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.83 1cnp n ALA 87 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1cnp h LEU 88 N 0.00 0.70 0.00 0.00 -0.00 -1.93 0.97 115.31 115.04 1cnp h LEU 88 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1cnp h LEU 88 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1cnp h LEU 88 CO 0.00 0.16 0.00 0.29 -0.00 0.00 0.00 178.44 178.89 1cnp n LYS 89 N -4.83 0.18 0.00 0.17 5.02 -1.26 -5.14 118.16 112.30 1cnp n LYS 89 Ca 0.26 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1cnp n LYS 89 Cb 0.70 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29