#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp s ALA 2 N 0.00 1.41 0.95 3.17 0.00 -1.26 -5.05 121.76 120.98 2cnp s ALA 2 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 2cnp s ALA 2 Cb 0.00 -1.20 0.16 0.00 0.00 0.00 0.00 23.12 22.08 2cnp s ALA 2 CO 0.00 -0.99 1.13 -1.54 0.00 0.00 0.00 175.76 174.36 2cnp s SER 3 N 1.66 3.14 0.26 0.00 1.04 -1.26 -4.73 113.70 113.81 2cnp s SER 3 Ca -0.01 0.97 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 2cnp s SER 3 Cb -0.17 -1.54 0.52 0.00 0.10 0.00 0.00 66.02 64.94 2cnp s SER 3 CO -0.07 -2.78 1.72 -0.65 0.98 0.00 0.00 173.24 172.44 2cnp h PRO 4 N -1.66 0.43 0.31 4.02 0.11 -2.01 0.14 132.00 133.35 2cnp h PRO 4 Ca -0.51 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2cnp h PRO 4 Cb 1.33 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2cnp h PRO 4 CO 0.59 0.28 -0.47 -0.07 -0.21 0.00 0.00 178.00 178.13 2cnp h LEU 5 N 0.44 -1.34 -1.09 2.35 3.38 -1.99 0.58 115.31 117.66 2cnp h LEU 5 Ca 0.45 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.62 2cnp h LEU 5 Cb 0.73 0.46 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2cnp h LEU 5 CO -0.44 -0.56 0.62 -0.78 0.09 0.00 0.00 178.44 177.37 2cnp h ASP 6 N -0.82 0.95 0.10 -0.43 3.58 -1.60 0.17 116.42 118.37 2cnp h ASP 6 Ca -0.04 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2cnp h ASP 6 Cb 0.75 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2cnp h ASP 6 CO -0.14 0.59 -0.05 -0.61 -2.88 0.00 0.00 179.24 176.15 2cnp h GLN 7 N 1.07 -0.13 -0.44 0.28 4.15 -0.65 0.19 115.11 119.57 2cnp h GLN 7 Ca 0.42 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.84 2cnp h GLN 7 Cb 0.24 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2cnp h GLN 7 CO -0.17 -0.03 0.22 0.00 -1.93 0.00 0.00 178.83 176.91 2cnp h ALA 8 N 0.70 0.57 -0.08 3.38 0.00 0.23 0.24 119.26 124.30 2cnp h ALA 8 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2cnp h ALA 8 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2cnp h ALA 8 CO 0.02 0.12 -0.17 0.82 0.00 0.00 0.00 179.25 180.05 2cnp h ILE 9 N 0.58 0.58 -0.73 0.00 2.04 -0.69 -1.62 117.51 117.65 2cnp h ILE 9 Ca 0.15 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.18 2cnp h ILE 9 Cb 0.10 0.58 -0.12 0.00 -0.74 0.00 0.00 36.82 36.64 2cnp h ILE 9 CO -0.02 0.00 0.03 1.23 0.00 0.00 0.00 178.15 179.39 2cnp h GLY 10 N -0.23 0.84 0.52 5.37 0.00 0.17 0.82 103.07 110.57 2cnp h GLY 10 Ca 0.08 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2cnp h GLY 10 CO -0.22 -0.26 -0.28 1.41 0.00 0.00 0.00 176.54 177.19 2cnp h LEU 11 N 0.13 -0.79 -0.61 3.11 3.38 0.03 0.18 115.31 120.74 2cnp h LEU 11 Ca 0.40 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.49 2cnp h LEU 11 Cb 0.70 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 2cnp h LEU 11 CO -0.62 -0.37 0.38 -0.07 0.09 0.00 0.00 178.44 177.85 2cnp h LEU 12 N -0.49 0.63 0.33 1.67 4.07 -0.19 0.12 115.31 121.44 2cnp h LEU 12 Ca 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2cnp h LEU 12 Cb 0.52 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 2cnp h LEU 12 CO -0.16 0.44 -0.35 0.40 -1.08 0.00 0.00 178.44 177.69 2cnp h ILE 13 N 0.75 0.28 -0.18 1.22 2.04 -0.73 -0.73 117.51 120.16 2cnp h ILE 13 Ca 0.24 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.14 2cnp h ILE 13 Cb 0.01 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 2cnp h ILE 13 CO -0.09 0.00 -0.05 1.23 0.00 0.00 0.00 178.15 179.23 2cnp h GLY 14 N -0.71 0.13 0.30 5.37 0.00 -0.25 -0.23 103.07 107.67 2cnp h GLY 14 Ca -0.02 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.47 2cnp h GLY 14 CO -0.08 -0.08 0.06 -2.22 0.00 0.00 0.00 176.54 174.23 2cnp h ILE 15 N -0.01 0.68 0.26 2.60 1.08 -0.73 0.20 117.51 121.60 2cnp h ILE 15 Ca 0.09 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.49 2cnp h ILE 15 Cb 0.15 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 2cnp h ILE 15 CO -0.19 0.03 -0.25 0.15 -0.69 0.00 0.00 178.15 177.20 2cnp h PHE 16 N 0.19 -0.69 0.00 1.37 3.57 -0.02 -3.09 116.94 118.27 2cnp h PHE 16 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2cnp h PHE 16 Cb 0.35 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 2cnp h PHE 16 CO -0.25 -0.34 -0.07 0.45 -2.23 0.00 0.00 178.31 175.87 2cnp h HIS 17 N -0.51 0.00 -1.03 0.41 3.86 -0.80 0.21 115.15 117.30 2cnp h HIS 17 Ca -0.03 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.44 2cnp h HIS 17 Cb 0.44 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.82 2cnp h HIS 17 CO -0.14 0.07 0.67 -0.22 0.86 0.00 0.00 177.93 179.16 2cnp h LYS 18 N 0.00 0.37 0.00 2.45 3.64 -0.52 0.19 116.57 122.69 2cnp h LYS 18 Ca -0.00 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 2cnp h LYS 18 Cb 0.15 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2cnp h LYS 18 CO 0.01 0.24 -1.35 0.66 -2.27 0.00 0.00 179.45 176.74 2cnp n TYR 19 N -4.60 0.00 -0.15 1.91 4.02 -0.08 -4.64 117.16 113.62 2cnp n TYR 19 Ca 0.25 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.28 2cnp n TYR 19 Cb 0.88 -0.56 0.50 0.00 -0.02 0.00 0.00 39.34 40.14 2cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2cnp h SER 20 N -0.82 0.39 -1.20 7.72 0.02 -0.69 -0.97 113.55 118.01 2cnp h SER 20 Ca -0.21 0.02 0.35 0.00 -0.84 0.00 0.00 61.79 61.10 2cnp h SER 20 Cb 1.07 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 2cnp h SER 20 CO -0.13 0.21 0.86 1.23 -1.14 0.00 0.00 176.83 177.86 2cnp h GLY 21 N 0.43 0.01 1.54 -3.77 0.00 -0.81 0.17 103.07 100.64 2cnp h GLY 21 Ca 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.60 2cnp h GLY 21 CO -0.11 -0.00 -0.10 0.50 0.00 0.00 0.00 176.54 176.83 2cnp h LYS 22 N 0.00 0.56 -6.65 4.80 1.57 -1.38 -3.43 116.57 112.04 2cnp h LYS 22 Ca 0.57 -0.16 -0.52 0.00 -1.87 0.00 0.00 60.65 58.67 2cnp h LYS 22 Cb 2.28 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 34.54 2cnp h LYS 22 CO -0.01 0.65 0.52 -1.21 -0.57 0.00 0.00 179.45 178.83 2cnp s GLU 23 N -4.79 4.54 0.21 3.15 0.41 0.60 -4.94 118.70 117.88 2cnp s GLU 23 Ca -0.08 1.79 -0.09 0.00 -0.41 0.00 0.00 54.97 56.18 2cnp s GLU 23 Cb 0.15 -3.26 0.27 0.00 -1.78 0.00 0.00 34.13 29.50 2cnp s GLU 23 CO 0.78 -0.01 1.76 0.78 -0.49 0.00 0.00 175.26 178.08 2cnp h GLY 24 N 5.24 0.89 -5.12 -1.39 0.00 -1.83 -2.35 103.07 98.51 2cnp h GLY 24 Ca -0.44 -0.16 -0.63 0.00 0.00 0.00 0.00 47.33 46.10 2cnp h GLY 24 CO 0.74 0.03 3.63 2.09 0.00 0.00 0.00 176.54 183.03 2cnp n ASP 25 N -4.93 7.94 0.00 0.19 5.75 -1.26 -4.77 116.55 119.47 2cnp n ASP 25 Ca 0.09 -2.54 0.04 0.00 -0.01 0.00 0.00 54.79 52.37 2cnp n ASP 25 Cb 0.24 -1.49 0.26 0.00 -1.03 0.00 0.00 41.12 39.11 2cnp n ASP 25 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2cnp n LYS 26 N 3.81 0.27 0.18 0.11 2.85 -0.88 -0.59 118.16 123.91 2cnp n LYS 26 Ca 0.72 0.01 0.13 0.00 -1.05 0.00 0.00 58.31 58.13 2cnp n LYS 26 Cb 0.22 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.46 2cnp n LYS 26 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2cnp h HIS 27 N 0.00 0.00 -3.54 5.58 2.76 -1.86 -3.41 115.15 114.68 2cnp h HIS 27 Ca 0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 2cnp h HIS 27 Cb 0.00 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 28.80 2cnp h HIS 27 CO 0.00 0.00 -0.73 0.95 -1.30 0.00 0.00 177.93 176.85 2cnp s THR 28 N -3.26 1.17 0.31 6.26 -4.23 0.24 -0.93 115.64 115.19 2cnp s THR 28 Ca 0.07 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.57 2cnp s THR 28 Cb 0.08 -1.59 0.04 0.00 1.34 0.00 0.00 72.50 72.37 2cnp s THR 28 CO 0.60 -0.57 0.77 -1.48 -0.54 0.00 0.00 174.62 173.39 2cnp s LEU 29 N -2.71 -0.15 0.44 4.79 0.05 -0.24 -4.85 118.68 116.01 2cnp s LEU 29 Ca 0.11 -0.80 0.06 0.00 0.05 0.00 0.00 54.13 53.55 2cnp s LEU 29 Cb -0.02 2.73 -0.05 0.00 -2.05 0.00 0.00 46.19 46.80 2cnp s LEU 29 CO 0.01 -1.44 0.07 -0.94 -0.55 0.00 0.00 176.35 173.50 2cnp s SER 30 N -2.99 4.10 0.17 1.48 1.04 -1.26 -0.62 113.70 115.62 2cnp s SER 30 Ca 0.13 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.18 2cnp s SER 30 Cb -0.05 -0.21 0.31 0.00 0.10 0.00 0.00 66.02 66.17 2cnp s SER 30 CO 0.08 -0.58 0.92 2.29 0.98 0.00 0.00 173.24 176.93 2cnp n LYS 31 N -1.13 -0.05 0.23 4.02 2.85 -1.26 -0.92 118.16 121.90 2cnp n LYS 31 Ca -0.06 0.91 -0.15 0.00 -1.05 0.00 0.00 58.31 57.95 2cnp n LYS 31 Cb 0.66 -1.38 -0.08 0.00 -0.65 0.00 0.00 35.03 33.59 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2cnp h LYS 32 N 0.00 -0.59 -0.79 -1.58 1.63 -1.98 0.13 116.57 113.40 2cnp h LYS 32 Ca 0.30 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2cnp h LYS 32 Cb 0.50 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 2cnp h LYS 32 CO -0.59 -0.39 0.49 0.93 -3.45 0.00 0.00 179.45 176.43 2cnp h GLU 33 N -0.61 1.06 -0.16 1.90 3.07 -1.43 -1.14 114.58 117.27 2cnp h GLU 33 Ca -0.04 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2cnp h GLU 33 Cb 0.51 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2cnp h GLU 33 CO 0.03 0.73 0.07 -0.07 -1.40 0.00 0.00 179.01 178.37 2cnp h LEU 34 N 1.07 0.10 -1.60 1.33 3.38 -0.70 0.22 115.31 119.12 2cnp h LEU 34 Ca 0.28 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2cnp h LEU 34 Cb -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2cnp h LEU 34 CO -0.06 0.08 -0.05 0.11 0.09 0.00 0.00 178.44 178.62 2cnp h LYS 35 N 0.16 0.19 0.08 1.13 1.57 -0.40 -1.30 116.57 118.01 2cnp h LYS 35 Ca 0.07 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2cnp h LYS 35 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2cnp h LYS 35 CO -0.05 0.26 -0.04 0.93 -0.57 0.00 0.00 179.45 179.98 2cnp h GLU 36 N 0.19 -0.10 -0.22 3.15 3.07 -0.75 -3.21 114.58 116.70 2cnp h GLU 36 Ca 0.04 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2cnp h GLU 36 Cb 0.22 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 2cnp h GLU 36 CO 0.01 -0.07 -0.13 1.28 -1.40 0.00 0.00 179.01 178.70 2cnp n LEU 37 N -2.40 -0.23 0.12 1.33 4.77 0.75 -0.13 117.00 121.20 2cnp n LEU 37 Ca -0.01 0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 56.51 2cnp n LEU 37 Cb 0.04 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2cnp n LEU 37 CO 0.03 -0.46 0.80 -0.29 -1.33 0.00 0.00 177.39 176.14 2cnp h ILE 38 N 0.00 0.78 -0.49 -0.08 2.10 -1.43 0.51 117.51 118.89 2cnp h ILE 38 Ca 0.04 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.01 2cnp h ILE 38 Cb 0.09 0.78 -0.04 0.00 -1.09 0.00 0.00 36.82 36.56 2cnp h ILE 38 CO -0.21 0.00 0.26 -0.61 -1.08 0.00 0.00 178.15 176.51 2cnp h GLN 39 N -0.26 0.50 -0.03 2.19 4.15 -1.12 0.27 115.11 120.83 2cnp h GLN 39 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2cnp h GLN 39 Cb 0.22 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2cnp h GLN 39 CO 0.01 0.33 -0.07 0.87 -1.93 0.00 0.00 178.83 178.04 2cnp h LYS 40 N 0.52 0.10 0.00 1.69 1.79 -0.38 -3.34 116.57 116.94 2cnp h LYS 40 Ca 0.21 -0.07 -0.21 0.00 -2.18 0.00 0.00 60.65 58.40 2cnp h LYS 40 Cb 0.09 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2cnp h LYS 40 CO -0.13 0.68 -1.34 0.39 -1.08 0.00 0.00 179.45 177.97 2cnp n GLU 41 N -4.71 0.54 -1.68 3.15 -0.58 0.16 -4.26 120.64 113.26 2cnp n GLU 41 Ca -0.08 0.48 -0.41 0.00 -0.42 0.00 0.00 57.16 56.73 2cnp n GLU 41 Cb 0.35 -1.67 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 2cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2cnp n LEU 42 N -4.44 7.78 0.05 -4.62 4.77 0.95 -4.75 117.00 116.74 2cnp n LEU 42 Ca -0.30 -4.40 -0.04 0.00 -0.03 0.00 0.00 56.01 51.24 2cnp n LEU 42 Cb 0.62 -1.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 2cnp n LEU 42 CO 0.14 1.67 0.50 0.71 -1.33 0.00 0.00 177.39 179.08 2cnp h THR 43 N 3.37 0.00 0.00 -5.08 1.35 -1.68 -3.41 112.91 107.45 2cnp h THR 43 Ca 0.69 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.55 2cnp h THR 43 Cb 0.45 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 2cnp h THR 43 CO 1.76 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 176.65 2cnp n ILE 44 N -3.00 0.00 0.00 6.82 5.41 -1.26 -4.81 119.36 122.52 2cnp n ILE 44 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2cnp n ILE 44 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cnp n GLY 45 N 0.00 1.54 3.11 7.39 0.00 -1.26 -4.64 105.19 111.33 2cnp n GLY 45 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnp n SER 46 N 3.04 2.85 -4.54 1.61 7.64 -1.26 -4.89 113.62 118.07 2cnp n SER 46 Ca 0.00 -2.71 -0.31 0.00 1.01 0.00 0.00 58.87 56.86 2cnp n SER 46 Cb 0.00 -1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 61.84 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 47 N 7.05 0.64 -0.30 1.43 5.02 -1.26 -4.80 118.16 125.94 2cnp n LYS 47 Ca 0.49 -0.20 0.15 0.00 -2.02 0.00 0.00 58.31 56.74 2cnp n LYS 47 Cb 0.41 -2.92 0.29 0.00 -0.02 0.00 0.00 35.03 32.80 2cnp n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2cnp n LEU 48 N 14.64 -0.04 -3.94 -0.35 4.77 -1.26 -4.62 117.00 126.20 2cnp n LEU 48 Ca 0.48 1.46 -0.10 0.00 -0.03 0.00 0.00 56.01 57.82 2cnp n LEU 48 Cb 0.39 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2cnp n LEU 48 CO 0.75 -1.51 0.33 -1.58 -1.33 0.00 0.00 177.39 174.06 2cnp s GLN 49 N -5.75 1.88 0.52 3.23 0.74 -1.26 -5.04 119.66 113.99 2cnp s GLN 49 Ca -0.11 -1.37 0.30 0.00 0.05 0.00 0.00 55.36 54.24 2cnp s GLN 49 Cb 0.26 0.54 1.44 0.00 1.10 0.00 0.00 33.01 36.35 2cnp s GLN 49 CO 0.67 -0.83 1.88 -0.44 -0.55 0.00 0.00 175.29 176.03 2cnp h ASP 50 N 2.10 0.05 -0.47 6.67 5.19 -1.95 -3.28 116.42 124.72 2cnp h ASP 50 Ca -0.27 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 2cnp h ASP 50 Cb 1.25 -0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 2cnp h ASP 50 CO 0.35 0.02 -0.27 0.00 -3.12 0.00 0.00 179.24 176.21 2cnp n ALA 51 N -2.69 -0.30 -0.18 3.45 0.00 -1.26 -0.60 120.51 118.93 2cnp n ALA 51 Ca 0.19 0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 2cnp n ALA 51 Cb 0.94 -0.07 0.01 0.00 0.00 0.00 0.00 19.45 20.34 2cnp n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cnp h GLU 52 N 0.00 0.79 0.10 0.00 4.81 -1.88 0.14 114.58 118.55 2cnp h GLU 52 Ca 0.07 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2cnp h GLU 52 Cb 0.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2cnp h GLU 52 CO -0.44 0.72 -0.05 0.82 -0.73 0.00 0.00 179.01 179.33 2cnp h ILE 53 N 0.71 0.99 -0.30 2.32 5.03 -1.10 -0.34 117.51 124.81 2cnp h ILE 53 Ca 0.17 -0.34 0.05 0.00 -0.12 0.00 0.00 64.86 64.62 2cnp h ILE 53 Cb 0.24 1.21 -0.05 0.00 -3.03 0.00 0.00 36.82 35.19 2cnp h ILE 53 CO -0.01 0.08 -0.01 0.58 -0.68 0.00 0.00 178.15 178.11 2cnp h VAL 54 N -0.29 0.77 -0.09 1.67 2.07 -0.65 -1.48 116.25 118.24 2cnp h VAL 54 Ca -0.01 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2cnp h VAL 54 Cb 0.24 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2cnp h VAL 54 CO 0.02 0.01 -0.21 0.11 0.02 0.00 0.00 177.57 177.52 2cnp h LYS 55 N 0.07 -0.28 -0.84 1.57 6.56 -0.50 0.34 116.57 123.49 2cnp h LYS 55 Ca 0.14 0.02 0.16 0.00 -1.06 0.00 0.00 60.65 59.91 2cnp h LYS 55 Cb 0.20 0.06 -0.10 0.00 -0.57 0.00 0.00 32.23 31.82 2cnp h LYS 55 CO -0.25 -0.19 0.40 -0.07 -2.06 0.00 0.00 179.45 177.28 2cnp h LEU 56 N -0.29 0.43 0.08 2.94 3.38 -0.39 0.99 115.31 122.45 2cnp h LEU 56 Ca 0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2cnp h LEU 56 Cb 0.42 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cnp h LEU 56 CO -0.26 0.15 -0.04 0.24 0.09 0.00 0.00 178.44 178.61 2cnp h MET 57 N 0.53 -0.11 -1.30 1.13 2.86 -0.76 -3.37 114.93 113.92 2cnp h MET 57 Ca 0.47 0.01 0.40 0.00 -2.06 0.00 0.00 59.70 58.52 2cnp h MET 57 Cb 0.73 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.31 2cnp h MET 57 CO -0.41 -0.07 0.86 0.22 1.06 0.00 0.00 176.91 178.57 2cnp h ASP 58 N -0.22 0.25 -0.92 1.22 3.58 -0.16 0.23 116.42 120.39 2cnp h ASP 58 Ca -0.01 0.10 0.21 0.00 0.42 0.00 0.00 57.03 57.75 2cnp h ASP 58 Cb 0.09 0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.05 2cnp h ASP 58 CO 0.02 -0.10 -0.13 -0.67 -2.88 0.00 0.00 179.24 175.48 2cnp n ASP 59 N -4.58 -0.24 -0.09 2.28 2.03 0.33 -0.65 116.55 115.62 2cnp n ASP 59 Ca 0.34 1.57 -0.04 0.00 0.52 0.00 0.00 54.79 57.19 2cnp n ASP 59 Cb 1.35 -0.51 0.17 0.00 -0.72 0.00 0.00 41.12 41.41 2cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2cnp h LEU 60 N 0.00 0.72 -0.19 -2.67 8.10 -1.16 0.39 115.31 120.51 2cnp h LEU 60 Ca 0.49 -0.18 -0.11 0.00 0.11 0.00 0.00 57.88 58.19 2cnp h LEU 60 Cb 0.86 -0.19 -0.00 0.00 -0.44 0.00 0.00 40.66 40.88 2cnp h LEU 60 CO -0.92 0.80 -0.31 -0.78 -4.11 0.00 0.00 178.44 173.12 2cnp h ASP 61 N 0.70 0.60 0.09 0.17 3.58 -1.04 -3.21 116.42 117.31 2cnp h ASP 61 Ca 0.14 -0.53 0.02 0.00 0.42 0.00 0.00 57.03 57.07 2cnp h ASP 61 Cb 0.45 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2cnp h ASP 61 CO 0.02 1.02 -0.18 -0.09 -2.88 0.00 0.00 179.24 177.13 2cnp h ARG 62 N 0.20 -0.32 -3.06 0.28 2.43 -0.79 -3.19 114.38 109.93 2cnp h ARG 62 Ca 0.01 0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.52 2cnp h ARG 62 Cb 0.90 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2cnp h ARG 62 CO 0.07 -0.21 3.65 0.09 -1.51 0.00 0.00 179.97 182.06 2cnp n ASN 63 N -5.30 8.25 -3.66 -3.80 3.02 0.11 -4.81 115.26 109.06 2cnp n ASN 63 Ca -0.06 -2.65 -0.43 0.00 -0.03 0.00 0.00 54.58 51.41 2cnp n ASN 63 Cb 0.22 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 2cnp n ASN 63 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2cnp n LYS 64 N 3.64 2.09 -3.88 3.52 4.81 -1.21 -3.80 118.16 123.34 2cnp n LYS 64 Ca 0.75 -2.17 -0.28 0.00 -0.87 0.00 0.00 58.31 55.74 2cnp n LYS 64 Cb 0.25 -3.07 0.02 0.00 0.02 0.00 0.00 35.03 32.24 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cnp n ASP 65 N 6.84 -3.24 -3.94 3.14 8.00 -1.26 -5.00 116.55 121.08 2cnp n ASP 65 Ca 0.51 -0.83 -0.10 0.00 0.71 0.00 0.00 54.79 55.08 2cnp n ASP 65 Cb 0.40 -3.79 -0.11 0.00 -0.02 0.00 0.00 41.12 37.60 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cnp s GLN 66 N -6.45 0.35 0.74 -1.24 -1.52 -1.25 -5.17 119.66 105.12 2cnp s GLN 66 Ca 0.42 -0.52 -0.07 0.00 -1.95 0.00 0.00 55.36 53.24 2cnp s GLN 66 Cb -0.21 0.13 0.09 0.00 -0.22 0.00 0.00 33.01 32.81 2cnp s GLN 66 CO 0.84 -0.07 1.05 -1.21 -0.25 0.00 0.00 175.29 175.64 2cnp s GLU 67 N -1.38 1.89 0.12 2.91 2.02 -1.26 -4.51 118.70 118.47 2cnp s GLU 67 Ca -0.15 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 54.48 2cnp s GLU 67 Cb -0.09 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 2cnp s GLU 67 CO -0.00 -1.43 -0.25 0.14 0.02 0.00 0.00 175.26 173.74 2cnp s VAL 68 N -3.30 2.38 0.54 2.63 -7.23 0.20 -4.97 120.40 110.65 2cnp s VAL 68 Ca 0.63 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2cnp s VAL 68 Cb -0.09 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.83 2cnp s VAL 68 CO 0.46 0.13 0.76 0.54 -0.31 0.00 0.00 175.10 176.68 2cnp s ASN 69 N -1.97 5.35 0.13 4.85 2.20 -1.26 -1.08 114.94 123.16 2cnp s ASN 69 Ca 0.15 0.03 -0.21 0.00 -0.94 0.00 0.00 52.86 51.89 2cnp s ASN 69 Cb -0.10 -0.97 -0.01 0.00 -2.00 0.00 0.00 41.25 38.17 2cnp s ASN 69 CO 0.06 -1.08 1.13 0.33 -2.94 0.00 0.00 177.10 174.60 2cnp n PHE 70 N -2.31 -0.26 0.19 1.54 7.35 -0.11 -0.66 117.46 123.20 2cnp n PHE 70 Ca 0.07 0.91 0.03 0.00 -0.76 0.00 0.00 57.45 57.70 2cnp n PHE 70 Cb 0.59 -0.60 0.36 0.00 0.35 0.00 0.00 39.48 40.19 2cnp n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 2cnp h GLN 71 N 0.00 0.00 -0.04 -4.13 5.75 -1.95 0.16 115.11 114.89 2cnp h GLN 71 Ca 0.14 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.50 2cnp h GLN 71 Cb 0.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2cnp h GLN 71 CO -0.69 0.38 -0.62 0.93 -2.65 0.00 0.00 178.83 176.18 2cnp h GLU 72 N 0.00 0.15 -0.26 1.69 3.07 -1.26 0.35 114.58 118.31 2cnp h GLU 72 Ca -0.00 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2cnp h GLU 72 Cb 0.70 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2cnp h GLU 72 CO 0.05 0.71 0.15 -0.92 -1.40 0.00 0.00 179.01 177.60 2cnp h TYR 73 N 0.11 0.34 -0.00 4.33 3.20 0.59 0.23 116.97 125.77 2cnp h TYR 73 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2cnp h TYR 73 Cb 1.11 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 2cnp h TYR 73 CO 0.01 0.27 0.00 0.82 -1.64 0.00 0.00 178.16 177.63 2cnp h ILE 74 N 0.31 0.95 -0.20 1.81 1.08 -0.32 0.62 117.51 121.76 2cnp h ILE 74 Ca 0.09 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.36 2cnp h ILE 74 Cb 0.04 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2cnp h ILE 74 CO -0.02 0.00 -0.66 0.74 -0.69 0.00 0.00 178.15 177.52 2cnp h THR 75 N 0.00 1.29 0.39 -0.27 2.02 0.42 0.36 112.91 117.13 2cnp h THR 75 Ca 0.00 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 2cnp h THR 75 Cb 0.01 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2cnp h THR 75 CO -0.00 0.60 -0.24 0.15 0.37 0.00 0.00 175.52 176.40 2cnp h PHE 76 N 0.56 -0.63 -0.52 3.16 3.57 0.88 0.27 116.94 124.23 2cnp h PHE 76 Ca -0.02 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2cnp h PHE 76 Cb 1.27 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 2cnp h PHE 76 CO 0.07 -0.37 0.33 -0.07 -2.23 0.00 0.00 178.31 176.04 2cnp h LEU 77 N -0.61 0.56 -1.00 0.59 3.38 -1.00 -0.77 115.31 116.46 2cnp h LEU 77 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2cnp h LEU 77 Cb 0.50 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2cnp h LEU 77 CO 0.04 0.40 0.62 1.23 0.09 0.00 0.00 178.44 180.82 2cnp h GLY 78 N 0.67 1.38 0.57 0.83 0.00 -0.00 0.15 103.07 106.68 2cnp h GLY 78 Ca 0.20 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2cnp h GLY 78 CO -0.06 0.53 -0.01 0.00 0.00 0.00 0.00 176.54 177.00 2cnp h ALA 79 N 1.35 0.02 -0.49 3.60 0.00 -0.24 0.15 119.26 123.66 2cnp h ALA 79 Ca 0.35 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2cnp h ALA 79 Cb -0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.57 2cnp h ALA 79 CO -0.07 -0.24 -0.31 1.25 0.00 0.00 0.00 179.25 179.88 2cnp h LEU 80 N -0.40 -1.05 0.45 0.00 7.12 -0.82 1.00 115.31 121.60 2cnp h LEU 80 Ca 0.00 0.20 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 2cnp h LEU 80 Cb 0.47 0.51 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 2cnp h LEU 80 CO 0.00 -0.30 -0.48 0.00 -0.13 0.00 0.00 178.44 177.53 2cnp h ALA 81 N 0.94 -1.12 -0.77 1.25 0.00 -0.66 -1.57 119.26 117.34 2cnp h ALA 81 Ca 0.21 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.11 2cnp h ALA 81 Cb 0.53 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 2cnp h ALA 81 CO -0.60 -1.16 0.21 1.98 0.00 0.00 0.00 179.25 179.68 2cnp h MET 82 N -0.94 0.28 0.72 0.00 1.85 -0.13 0.30 114.93 117.00 2cnp h MET 82 Ca -0.06 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 2cnp h MET 82 Cb 0.82 -0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.79 2cnp h MET 82 CO -0.08 0.19 -0.34 0.82 -0.40 0.00 0.00 176.91 177.09 2cnp h ILE 83 N 0.29 0.00 0.01 1.77 2.04 -0.61 -3.32 117.51 117.69 2cnp h ILE 83 Ca 0.44 -0.29 -0.19 0.00 1.00 0.00 0.00 64.86 65.82 2cnp h ILE 83 Cb 0.77 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2cnp h ILE 83 CO -0.52 0.00 -0.88 0.10 0.00 0.00 0.00 178.15 176.85 2cnp h TYR 84 N -1.25 0.17 -0.26 1.37 -0.00 -0.92 -3.11 116.97 112.97 2cnp h TYR 84 Ca -0.10 -0.10 -0.60 0.00 0.00 0.00 0.00 58.73 57.93 2cnp h TYR 84 Cb 0.74 -0.02 -0.02 0.00 0.00 0.00 0.00 36.73 37.43 2cnp h TYR 84 CO 0.00 0.93 2.79 0.09 -0.00 0.00 0.00 178.16 181.97 2cnp n ASN 85 N -3.60 8.00 -0.31 0.10 4.13 0.10 -4.81 115.26 118.88 2cnp n ASN 85 Ca -0.02 -2.69 0.30 0.00 1.68 0.00 0.00 54.58 53.85 2cnp n ASN 85 Cb 0.82 -1.49 0.56 0.00 -1.54 0.00 0.00 39.78 38.13 2cnp n ASN 85 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2cnp n GLU 86 N 2.94 -0.06 -0.35 3.52 -0.00 -1.18 -1.03 120.64 124.49 2cnp n GLU 86 Ca 0.69 1.36 0.25 0.00 -0.00 0.00 0.00 57.16 59.45 2cnp n GLU 86 Cb 0.35 -2.42 0.50 0.00 -0.00 0.00 0.00 31.44 29.88 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cnp h ALA 87 N 1.95 2.13 -0.36 -1.84 0.00 -1.87 0.46 119.26 119.73 2cnp h ALA 87 Ca 0.81 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.96 2cnp h ALA 87 Cb 2.13 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 2cnp h ALA 87 CO -0.76 -0.68 0.29 -0.07 0.00 0.00 0.00 179.25 178.02 2cnp h LEU 88 N 0.34 0.00 -5.68 0.00 3.38 -1.33 -3.09 115.31 108.93 2cnp h LEU 88 Ca 0.70 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 58.07 2cnp h LEU 88 Cb 1.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.48 2cnp h LEU 88 CO -0.48 0.00 3.02 0.29 0.09 0.00 0.00 178.44 181.36 2cnp n LYS 89 N -4.25 2.60 0.00 1.13 5.02 0.15 -5.10 118.16 117.71 2cnp n LYS 89 Ca 0.06 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.31 2cnp n LYS 89 Cb 0.46 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29