#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 1.74 -0.65 3.04 0.00 -1.26 -4.93 120.51 118.45 2cnp n ALA 2 Ca 0.00 -2.92 -0.31 0.00 0.00 0.00 0.00 53.44 50.21 2cnp n ALA 2 Cb 0.00 -3.50 0.18 0.00 0.00 0.00 0.00 19.45 16.13 2cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2cnp s SER 3 N 6.60 2.64 0.21 0.00 0.01 -1.26 -4.44 113.70 117.46 2cnp s SER 3 Ca 0.69 2.15 -0.13 0.00 1.31 0.00 0.00 55.95 59.97 2cnp s SER 3 Cb 0.02 -2.55 0.24 0.00 0.21 0.00 0.00 66.02 63.94 2cnp s SER 3 CO 0.16 -3.27 1.64 -0.65 0.41 0.00 0.00 173.24 171.53 2cnp h PRO 4 N -1.99 0.03 -0.89 12.44 0.11 -1.99 0.37 132.00 140.09 2cnp h PRO 4 Ca -0.45 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 2cnp h PRO 4 Cb 1.28 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2cnp h PRO 4 CO 0.42 0.02 0.58 -0.07 -0.21 0.00 0.00 178.00 178.74 2cnp h LEU 5 N 0.03 0.97 -0.75 2.35 3.38 -1.99 -0.34 115.31 118.96 2cnp h LEU 5 Ca 0.30 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2cnp h LEU 5 Cb 0.46 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2cnp h LEU 5 CO -0.58 0.67 0.31 -0.78 0.09 0.00 0.00 178.44 178.15 2cnp h ASP 6 N 1.13 1.03 0.19 -0.43 3.58 -0.68 0.19 116.42 121.42 2cnp h ASP 6 Ca 0.35 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2cnp h ASP 6 Cb -0.01 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.77 2cnp h ASP 6 CO -0.11 0.91 -0.09 -0.61 -2.88 0.00 0.00 179.24 176.46 2cnp h GLN 7 N 1.08 -0.24 -0.30 0.28 4.15 -0.58 0.23 115.11 119.72 2cnp h GLN 7 Ca 0.25 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.69 2cnp h GLN 7 Cb 0.19 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2cnp h GLN 7 CO -0.02 -0.15 0.19 0.00 -1.93 0.00 0.00 178.83 176.91 2cnp h ALA 8 N 0.55 0.39 -0.18 3.38 0.00 -0.66 0.16 119.26 122.89 2cnp h ALA 8 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2cnp h ALA 8 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2cnp h ALA 8 CO 0.04 -0.12 -0.10 0.82 0.00 0.00 0.00 179.25 179.89 2cnp h ILE 9 N 0.40 0.70 -0.72 0.00 2.04 -0.64 -1.98 117.51 117.31 2cnp h ILE 9 Ca 0.11 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.13 2cnp h ILE 9 Cb -0.01 0.70 -0.12 0.00 -0.74 0.00 0.00 36.82 36.65 2cnp h ILE 9 CO -0.02 0.00 0.08 1.23 0.00 0.00 0.00 178.15 179.43 2cnp h GLY 10 N -0.08 0.89 0.49 5.37 0.00 0.35 0.17 103.07 110.25 2cnp h GLY 10 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2cnp h GLY 10 CO -0.23 -0.24 -0.33 1.41 0.00 0.00 0.00 176.54 177.15 2cnp h LEU 11 N 0.17 -0.94 -0.61 3.11 3.38 -0.20 0.20 115.31 120.42 2cnp h LEU 11 Ca 0.40 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2cnp h LEU 11 Cb 0.69 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2cnp h LEU 11 CO -0.58 -0.44 0.39 -0.07 0.09 0.00 0.00 178.44 177.83 2cnp h LEU 12 N -0.60 0.71 0.25 1.67 4.07 -0.47 0.06 115.31 121.00 2cnp h LEU 12 Ca 0.01 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.95 2cnp h LEU 12 Cb 0.60 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2cnp h LEU 12 CO -0.15 0.53 -0.34 0.40 -1.08 0.00 0.00 178.44 177.80 2cnp h ILE 13 N 0.82 0.29 -0.38 1.22 2.04 -0.61 -1.70 117.51 119.20 2cnp h ILE 13 Ca 0.22 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.15 2cnp h ILE 13 Cb -0.07 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 36.24 2cnp h ILE 13 CO -0.05 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 179.26 2cnp h GLY 14 N -0.65 0.30 0.34 5.37 0.00 -0.16 0.17 103.07 108.45 2cnp h GLY 14 Ca -0.00 0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.52 2cnp h GLY 14 CO -0.12 -0.13 0.13 -2.22 0.00 0.00 0.00 176.54 174.20 2cnp h ILE 15 N 0.02 0.72 0.87 2.60 1.08 -0.90 0.13 117.51 122.05 2cnp h ILE 15 Ca 0.18 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.52 2cnp h ILE 15 Cb 0.28 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 2cnp h ILE 15 CO -0.37 0.05 -0.48 0.15 -0.69 0.00 0.00 178.15 176.81 2cnp h PHE 16 N 0.28 -1.26 -0.69 1.37 3.57 -0.18 -3.21 116.94 116.82 2cnp h PHE 16 Ca 0.27 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.87 2cnp h PHE 16 Cb 0.36 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 2cnp h PHE 16 CO -0.21 -0.74 0.46 1.25 -2.23 0.00 0.00 178.31 176.83 2cnp h HIS 17 N -1.25 0.48 -1.11 0.41 2.76 -0.29 0.18 115.15 116.34 2cnp h HIS 17 Ca -0.12 0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.38 2cnp h HIS 17 Cb 0.98 -0.16 -0.11 0.00 1.55 0.00 0.00 27.41 29.67 2cnp h HIS 17 CO -0.05 0.21 0.71 -0.22 -1.30 0.00 0.00 177.93 177.28 2cnp h LYS 18 N 0.44 0.30 0.00 5.26 3.64 -0.75 0.17 116.57 125.63 2cnp h LYS 18 Ca 0.33 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2cnp h LYS 18 Cb 0.68 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2cnp h LYS 18 CO -0.10 0.20 -0.56 0.66 -2.27 0.00 0.00 179.45 177.38 2cnp n TYR 19 N -4.69 0.00 -0.25 1.91 4.02 0.00 -4.73 117.16 113.42 2cnp n TYR 19 Ca 0.29 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.39 2cnp n TYR 19 Cb 1.04 -0.28 0.53 0.00 -0.02 0.00 0.00 39.34 40.61 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 -0.56 0.38 -1.40 7.72 0.02 -0.76 0.12 113.55 119.07 2cnp h SER 20 Ca 0.00 0.05 0.43 0.00 -0.84 0.00 0.00 61.79 61.42 2cnp h SER 20 Cb 0.56 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.98 2cnp h SER 20 CO 0.00 0.14 0.95 1.23 -1.14 0.00 0.00 176.83 178.01 2cnp h GLY 21 N 0.37 0.78 0.00 -3.77 0.00 -1.14 -2.21 103.07 97.10 2cnp h GLY 21 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2cnp h GLY 21 CO -0.18 -0.21 -0.45 0.58 0.00 0.00 0.00 176.54 176.28 2cnp n LYS 22 N -4.43 0.47 -1.62 4.80 2.85 -0.56 -4.34 118.16 115.34 2cnp n LYS 22 Ca 0.35 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 2cnp n LYS 22 Cb 1.45 -0.72 -0.01 0.00 -0.65 0.00 0.00 35.03 35.10 2cnp n LYS 22 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2cnp n GLU 23 N -1.75 2.72 0.00 -1.58 1.02 0.33 -4.52 120.64 116.86 2cnp n GLU 23 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.67 2cnp n GLU 23 Cb 0.22 -3.20 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 2cnp n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cnp n GLY 24 N 4.12 1.46 3.39 0.62 0.00 -1.26 -4.50 105.19 109.01 2cnp n GLY 24 Ca 0.53 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2cnp n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cnp s ASP 25 N -4.00 -0.43 0.66 1.61 -1.08 0.18 -4.99 116.67 108.62 2cnp s ASP 25 Ca 0.00 0.28 0.26 0.00 -0.52 0.00 0.00 52.55 52.57 2cnp s ASP 25 Cb 0.00 0.46 1.40 0.00 -1.46 0.00 0.00 42.92 43.33 2cnp s ASP 25 CO 0.00 -0.63 1.80 0.07 0.52 0.00 0.00 175.17 176.93 2cnp h LYS 26 N 3.08 0.00 0.00 4.34 -0.00 -1.60 0.26 116.57 122.65 2cnp h LYS 26 Ca -0.30 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.08 2cnp h LYS 26 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 33.37 2cnp h LYS 26 CO 0.41 0.00 -1.62 1.25 -0.00 0.00 0.00 179.45 179.49 2cnp h HIS 27 N 0.00 0.00 -3.80 0.07 6.17 -1.96 -3.44 115.15 112.19 2cnp h HIS 27 Ca 0.03 0.00 -0.27 0.00 0.71 0.00 0.00 60.37 60.84 2cnp h HIS 27 Cb 0.91 0.00 -0.28 0.00 2.52 0.00 0.00 27.41 30.56 2cnp h HIS 27 CO 0.00 0.95 -0.73 0.95 0.71 0.00 0.00 177.93 179.80 2cnp s THR 28 N -2.65 0.17 0.10 6.26 -4.23 0.93 -0.08 115.64 116.15 2cnp s THR 28 Ca -0.04 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 2cnp s THR 28 Cb 0.08 -0.16 -0.00 0.00 1.34 0.00 0.00 72.50 73.77 2cnp s THR 28 CO 0.82 0.05 0.12 0.00 -0.54 0.00 0.00 174.62 175.08 2cnp n LEU 29 N 3.05 0.00 0.00 4.79 -0.00 -0.54 -0.64 117.00 123.65 2cnp n LEU 29 Ca -0.13 -0.87 -0.16 0.00 -0.00 0.00 0.00 56.01 54.85 2cnp n LEU 29 Cb 0.59 0.66 -0.04 0.00 -0.00 0.00 0.00 43.42 44.63 2cnp n LEU 29 CO 0.26 -0.18 0.13 -1.54 -0.00 0.00 0.00 177.39 176.06 2cnp n SER 30 N -2.20 -1.29 0.00 1.45 3.41 -1.26 0.31 113.62 114.04 2cnp n SER 30 Ca 0.01 -2.99 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 2cnp n SER 30 Cb 0.17 2.46 0.00 0.00 -0.26 0.00 0.00 64.21 66.59 2cnp n SER 30 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cnp n LYS 31 N -0.60 0.00 -0.18 4.33 5.02 -1.26 -0.71 118.16 124.77 2cnp n LYS 31 Ca 0.02 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.24 2cnp n LYS 31 Cb 0.60 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.63 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2cnp h LYS 32 N 0.00 0.69 -0.91 1.97 3.64 -1.99 0.63 116.57 120.60 2cnp h LYS 32 Ca 0.00 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2cnp h LYS 32 Cb 0.00 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 2cnp h LYS 32 CO 0.00 0.48 0.60 0.93 -2.27 0.00 0.00 179.45 179.19 2cnp h GLU 33 N 0.70 1.20 -0.00 1.90 3.07 -1.31 0.91 114.58 121.05 2cnp h GLU 33 Ca 0.19 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2cnp h GLU 33 Cb -0.05 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.59 2cnp h GLU 33 CO -0.04 0.79 0.00 -0.07 -1.40 0.00 0.00 179.01 178.29 2cnp h LEU 34 N 1.23 0.00 -0.01 1.33 3.38 -0.08 0.18 115.31 121.35 2cnp h LEU 34 Ca 0.33 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2cnp h LEU 34 Cb -0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2cnp h LEU 34 CO -0.07 0.26 -0.09 0.11 0.09 0.00 0.00 178.44 178.74 2cnp h LYS 35 N -0.26 -0.15 -0.25 1.13 1.57 -0.71 0.19 116.57 118.09 2cnp h LYS 35 Ca 0.00 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2cnp h LYS 35 Cb 0.26 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 2cnp h LYS 35 CO 0.00 -0.10 -0.46 1.49 -0.57 0.00 0.00 179.45 179.82 2cnp h GLU 36 N -0.15 -0.43 0.00 3.15 4.81 -0.80 -0.21 114.58 120.95 2cnp h GLU 36 Ca 0.04 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2cnp h GLU 36 Cb 0.20 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2cnp h GLU 36 CO -0.10 -0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.18 2cnp n LEU 37 N -5.42 0.00 -0.29 1.64 4.77 0.63 -0.51 117.00 117.81 2cnp n LEU 37 Ca -0.03 0.85 0.02 0.00 -0.03 0.00 0.00 56.01 56.82 2cnp n LEU 37 Cb 0.36 -0.35 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 2cnp n LEU 37 CO 0.08 -0.35 1.14 -0.29 -1.33 0.00 0.00 177.39 176.63 2cnp h ILE 38 N 0.00 0.93 -0.07 -0.08 2.10 -0.83 0.74 117.51 120.30 2cnp h ILE 38 Ca 0.00 -0.27 0.03 0.00 1.08 0.00 0.00 64.86 65.70 2cnp h ILE 38 Cb 0.00 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 35.76 2cnp h ILE 38 CO 0.00 0.14 -0.11 -0.61 -1.08 0.00 0.00 178.15 176.50 2cnp h GLN 39 N 0.79 -0.15 0.26 2.19 4.15 -0.93 0.97 115.11 122.40 2cnp h GLN 39 Ca 0.38 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.80 2cnp h GLN 39 Cb 0.32 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2cnp h GLN 39 CO -0.23 -0.10 -0.13 0.87 -1.93 0.00 0.00 178.83 177.31 2cnp h LYS 40 N -0.15 -0.34 -0.00 1.69 6.56 0.12 -3.21 116.57 121.23 2cnp h LYS 40 Ca 0.06 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2cnp h LYS 40 Cb 0.24 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2cnp h LYS 40 CO -0.16 -0.01 -0.55 -0.85 -2.06 0.00 0.00 179.45 175.82 2cnp n GLU 41 N -5.09 0.16 -3.29 3.15 -0.00 0.05 -4.16 120.64 111.45 2cnp n GLU 41 Ca -0.09 -0.10 -0.25 0.00 -0.00 0.00 0.00 57.16 56.71 2cnp n GLU 41 Cb 0.25 -1.50 -0.07 0.00 -0.00 0.00 0.00 31.44 30.12 2cnp n GLU 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2cnp n LEU 42 N -1.33 2.06 -4.58 -1.84 4.77 0.33 -5.01 117.00 111.40 2cnp n LEU 42 Ca 0.06 -5.10 -0.23 0.00 -0.03 0.00 0.00 56.01 50.72 2cnp n LEU 42 Cb 0.34 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2cnp n LEU 42 CO 0.35 2.08 1.35 0.42 -1.33 0.00 0.00 177.39 180.26 2cnp s THR 43 N -1.97 3.35 -0.48 -5.08 -4.23 -1.21 -4.57 115.64 101.44 2cnp s THR 43 Ca 0.38 -0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 60.25 2cnp s THR 43 Cb 0.17 -4.34 -0.16 0.00 1.34 0.00 0.00 72.50 69.51 2cnp s THR 43 CO -0.06 -0.63 2.80 0.00 -0.54 0.00 0.00 174.62 176.18 2cnp n ILE 44 N 8.28 2.74 0.00 2.99 0.13 -1.26 -4.84 119.36 127.40 2cnp n ILE 44 Ca 0.43 -1.49 0.00 0.00 -1.10 0.00 0.00 62.75 60.59 2cnp n ILE 44 Cb 0.47 -2.07 0.00 0.00 -0.84 0.00 0.00 39.64 37.19 2cnp n ILE 44 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2cnp n GLY 45 N 3.01 0.25 2.70 4.50 0.00 -1.26 -0.44 105.19 113.94 2cnp n GLY 45 Ca 0.44 0.63 -0.05 0.00 0.00 0.00 0.00 46.02 47.04 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 1.30 -0.88 -1.88 1.61 7.64 -1.26 -4.97 113.62 115.18 2cnp n SER 46 Ca 0.00 -2.40 -0.03 0.00 1.01 0.00 0.00 58.87 57.45 2cnp n SER 46 Cb 0.00 0.52 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.75 -0.46 -0.20 1.43 5.02 0.41 -4.99 118.16 118.62 2cnp n LYS 47 Ca -0.04 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.50 2cnp n LYS 47 Cb 0.85 -2.45 0.05 0.00 -0.02 0.00 0.00 35.03 33.46 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2cnp h LEU 48 N -0.18 -0.71 -7.29 -0.35 3.38 -1.77 -3.44 115.31 104.95 2cnp h LEU 48 Ca -0.11 0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2cnp h LEU 48 Cb 1.06 0.43 -0.22 0.00 0.09 0.00 0.00 40.66 42.01 2cnp h LEU 48 CO 0.09 -0.23 -0.16 -1.58 0.09 0.00 0.00 178.44 176.65 2cnp s GLN 49 N -6.18 0.62 0.28 1.13 0.74 -1.26 -5.08 119.66 109.91 2cnp s GLN 49 Ca -0.14 0.42 0.09 0.00 0.05 0.00 0.00 55.36 55.78 2cnp s GLN 49 Cb 0.18 0.29 0.85 0.00 1.10 0.00 0.00 33.01 35.43 2cnp s GLN 49 CO 0.72 -0.12 1.29 -0.40 -0.55 0.00 0.00 175.29 176.24 2cnp n ASP 50 N 2.31 0.08 -0.21 6.67 5.75 -1.26 -3.41 116.55 126.48 2cnp n ASP 50 Ca -0.16 1.38 -0.06 0.00 -0.01 0.00 0.00 54.79 55.95 2cnp n ASP 50 Cb 0.57 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cnp n ALA 51 N -2.85 -0.32 -0.06 2.12 0.00 -1.26 -0.51 120.51 117.62 2cnp n ALA 51 Ca 0.25 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 54.08 2cnp n ALA 51 Cb 0.83 -0.01 0.20 0.00 0.00 0.00 0.00 19.45 20.47 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 0.68 0.19 0.00 4.81 -1.87 0.87 114.58 119.26 2cnp h GLU 52 Ca 0.08 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2cnp h GLU 52 Cb 0.21 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2cnp h GLU 52 CO -0.47 0.72 -0.09 0.82 -0.73 0.00 0.00 179.01 179.26 2cnp h ILE 53 N 0.63 0.92 -0.67 2.32 5.03 -1.01 0.11 117.51 124.83 2cnp h ILE 53 Ca 0.12 -0.65 0.11 0.00 -0.12 0.00 0.00 64.86 64.32 2cnp h ILE 53 Cb 0.46 1.30 -0.08 0.00 -3.03 0.00 0.00 36.82 35.47 2cnp h ILE 53 CO 0.02 0.15 0.27 0.58 -0.68 0.00 0.00 178.15 178.49 2cnp h VAL 54 N -0.58 0.76 -0.06 1.67 2.07 -0.71 -0.45 116.25 118.95 2cnp h VAL 54 Ca -0.03 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2cnp h VAL 54 Cb 0.43 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2cnp h VAL 54 CO 0.04 0.08 -0.04 0.11 0.02 0.00 0.00 177.57 177.78 2cnp h LYS 55 N 0.46 -0.05 -1.00 1.57 6.56 -0.46 0.23 116.57 123.88 2cnp h LYS 55 Ca 0.34 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 60.03 2cnp h LYS 55 Cb 0.44 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.03 2cnp h LYS 55 CO -0.32 -0.03 0.64 -0.07 -2.06 0.00 0.00 179.45 177.60 2cnp h LEU 56 N -0.05 0.98 0.62 2.94 3.38 0.08 0.12 115.31 123.38 2cnp h LEU 56 Ca 0.04 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2cnp h LEU 56 Cb 0.10 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.68 2cnp h LEU 56 CO -0.09 0.58 -0.30 0.24 0.09 0.00 0.00 178.44 178.97 2cnp h MET 57 N 1.09 -0.80 -1.00 1.13 2.86 -0.67 -3.32 114.93 114.22 2cnp h MET 57 Ca 0.46 0.05 0.28 0.00 -2.06 0.00 0.00 59.70 58.43 2cnp h MET 57 Cb 0.32 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.03 2cnp h MET 57 CO -0.21 -0.53 0.57 0.22 1.06 0.00 0.00 176.91 178.02 2cnp h ASP 58 N -1.19 0.59 -0.94 1.22 3.58 -0.22 -0.47 116.42 118.99 2cnp h ASP 58 Ca -0.08 0.16 0.21 0.00 0.42 0.00 0.00 57.03 57.74 2cnp h ASP 58 Cb 0.63 0.08 -0.18 0.00 1.72 0.00 0.00 39.33 41.59 2cnp h ASP 58 CO 0.14 -0.01 -0.16 -0.67 -2.88 0.00 0.00 179.24 175.66 2cnp n ASP 59 N -4.97 -0.27 0.20 2.28 2.03 0.39 -0.30 116.55 115.92 2cnp n ASP 59 Ca 0.29 1.61 -0.15 0.00 0.52 0.00 0.00 54.79 57.06 2cnp n ASP 59 Cb 0.84 -0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 40.65 2cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cnp h LEU 60 N 0.00 -0.57 -0.62 -2.67 3.38 -1.25 0.44 115.31 114.03 2cnp h LEU 60 Ca 0.49 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.40 2cnp h LEU 60 Cb 0.83 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2cnp h LEU 60 CO -0.94 -0.35 0.02 -0.78 0.09 0.00 0.00 178.44 176.48 2cnp h ASP 61 N -0.53 1.05 -0.12 -0.43 3.58 -1.32 0.18 116.42 118.82 2cnp h ASP 61 Ca -0.03 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.13 2cnp h ASP 61 Cb 0.46 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2cnp h ASP 61 CO 0.01 1.09 0.06 -0.09 -2.88 0.00 0.00 179.24 177.44 2cnp h ARG 62 N 0.98 0.13 0.00 0.28 2.43 -0.48 -3.36 114.38 114.37 2cnp h ARG 62 Ca 0.18 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2cnp h ARG 62 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2cnp h ARG 62 CO 0.03 0.09 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.67 2cnp h ASN 63 N 0.14 0.00 0.00 -3.80 2.35 -0.74 -3.45 115.58 110.08 2cnp h ASN 63 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2cnp h ASN 63 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2cnp h ASN 63 CO -0.03 0.01 0.00 0.29 -1.65 0.00 0.00 177.43 176.05 2cnp n LYS 64 N -2.09 0.00 0.00 0.81 5.02 0.63 -0.25 118.16 122.28 2cnp n LYS 64 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2cnp n LYS 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2cnp n ASP 65 N 1.00 0.55 -4.60 4.39 8.00 -1.26 -5.07 116.55 119.57 2cnp n ASP 65 Ca 0.00 -0.01 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 2cnp n ASP 65 Cb 0.00 0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cnp s GLN 66 N -0.24 3.47 0.03 -1.24 0.74 0.65 -4.96 119.66 118.10 2cnp s GLN 66 Ca 0.00 1.03 -0.35 0.00 0.05 0.00 0.00 55.36 56.09 2cnp s GLN 66 Cb 0.00 -4.09 -0.14 0.00 1.10 0.00 0.00 33.01 29.88 2cnp s GLN 66 CO 0.00 -1.70 1.66 0.39 -0.55 0.00 0.00 175.29 175.09 2cnp n GLU 67 N 8.24 1.94 -2.77 1.67 4.71 -1.26 -4.53 120.64 128.64 2cnp n GLU 67 Ca 0.18 0.70 -0.40 0.00 -0.01 0.00 0.00 57.16 57.63 2cnp n GLU 67 Cb 0.48 -2.47 -0.06 0.00 -1.01 0.00 0.00 31.44 28.37 2cnp n GLU 67 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2cnp s VAL 68 N 2.15 4.11 0.79 2.62 -7.23 0.15 -4.80 120.40 118.19 2cnp s VAL 68 Ca 0.86 2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 62.99 2cnp s VAL 68 Cb -0.76 -4.31 0.10 0.00 0.56 0.00 0.00 36.38 31.97 2cnp s VAL 68 CO 0.46 0.50 1.12 0.54 -0.31 0.00 0.00 175.10 177.41 2cnp s ASN 69 N -1.13 4.36 0.16 4.85 4.22 -1.26 -1.47 114.94 124.66 2cnp s ASN 69 Ca 0.41 0.46 -0.30 0.00 -2.14 0.00 0.00 52.86 51.28 2cnp s ASN 69 Cb -0.26 -0.92 -0.06 0.00 1.28 0.00 0.00 41.25 41.29 2cnp s ASN 69 CO 0.31 -1.93 1.54 0.15 -2.04 0.00 0.00 177.10 175.14 2cnp h PHE 70 N -0.94 -1.78 -0.83 1.54 3.57 -0.83 0.54 116.94 118.22 2cnp h PHE 70 Ca -0.44 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2cnp h PHE 70 Cb 1.30 0.89 -0.04 0.00 2.79 0.00 0.00 35.95 40.89 2cnp h PHE 70 CO 0.00 -0.40 0.48 0.37 -2.23 0.00 0.00 178.31 176.53 2cnp h GLN 71 N -0.10 1.14 -0.51 1.11 5.75 -1.94 0.17 115.11 120.72 2cnp h GLN 71 Ca 0.15 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2cnp h GLN 71 Cb 0.47 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2cnp h GLN 71 CO -0.85 0.81 0.31 0.93 -2.65 0.00 0.00 178.83 177.38 2cnp h GLU 72 N 1.15 0.70 -0.31 1.69 5.08 -1.70 0.37 114.58 121.55 2cnp h GLU 72 Ca 0.30 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2cnp h GLU 72 Cb -0.01 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2cnp h GLU 72 CO -0.05 0.51 0.14 -0.92 -1.00 0.00 0.00 179.01 177.69 2cnp h TYR 73 N 0.69 0.25 -0.41 4.33 3.20 0.18 0.26 116.97 125.47 2cnp h TYR 73 Ca 0.18 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 2cnp h TYR 73 Cb -0.01 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2cnp h TYR 73 CO -0.03 0.13 0.28 0.82 -1.64 0.00 0.00 178.16 177.72 2cnp h ILE 74 N 0.29 1.04 -0.26 1.81 1.08 -0.30 0.47 117.51 121.64 2cnp h ILE 74 Ca 0.13 -0.16 -0.13 0.00 -0.39 0.00 0.00 64.86 64.32 2cnp h ILE 74 Cb 0.07 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 2cnp h ILE 74 CO -0.11 0.08 -0.38 0.74 -0.69 0.00 0.00 178.15 177.79 2cnp h THR 75 N 0.46 1.29 0.58 -0.27 2.02 0.90 0.33 112.91 118.21 2cnp h THR 75 Ca 0.17 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 2cnp h THR 75 Cb 0.10 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2cnp h THR 75 CO -0.04 0.49 -0.35 0.15 0.37 0.00 0.00 175.52 176.14 2cnp h PHE 76 N 0.50 -0.92 -0.46 3.16 3.57 0.15 0.18 116.94 123.11 2cnp h PHE 76 Ca 0.05 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2cnp h PHE 76 Cb 0.88 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2cnp h PHE 76 CO 0.04 -0.53 0.29 -0.07 -2.23 0.00 0.00 178.31 175.80 2cnp h LEU 77 N -0.87 0.55 -0.43 0.59 3.38 -0.99 -0.27 115.31 117.27 2cnp h LEU 77 Ca -0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2cnp h LEU 77 Cb 0.71 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2cnp h LEU 77 CO 0.07 0.44 0.10 1.23 0.09 0.00 0.00 178.44 180.37 2cnp h GLY 78 N 0.62 0.75 0.87 0.83 0.00 -0.27 0.14 103.07 106.01 2cnp h GLY 78 Ca 0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 2cnp h GLY 78 CO -0.03 0.44 0.01 0.00 0.00 0.00 0.00 176.54 176.95 2cnp h ALA 79 N 0.96 0.38 -0.31 3.60 0.00 -0.55 0.13 119.26 123.48 2cnp h ALA 79 Ca 0.13 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2cnp h ALA 79 Cb 0.32 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2cnp h ALA 79 CO 0.00 0.11 -0.37 1.25 0.00 0.00 0.00 179.25 180.24 2cnp h LEU 80 N 0.29 -1.21 -0.00 0.00 7.12 -0.84 0.24 115.31 120.90 2cnp h LEU 80 Ca 0.08 0.19 0.03 0.00 0.13 0.00 0.00 57.88 58.31 2cnp h LEU 80 Cb 0.41 0.53 -0.05 0.00 -0.53 0.00 0.00 40.66 41.03 2cnp h LEU 80 CO 0.01 -0.36 -0.29 0.00 -0.13 0.00 0.00 178.44 177.67 2cnp h ALA 81 N 0.49 -0.41 -0.51 1.25 0.00 -0.52 -1.55 119.26 118.00 2cnp h ALA 81 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2cnp h ALA 81 Cb 0.57 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2cnp h ALA 81 CO -0.49 -0.80 0.16 1.98 0.00 0.00 0.00 179.25 180.09 2cnp h MET 82 N -0.44 0.76 0.75 0.00 1.85 -0.33 0.16 114.93 117.68 2cnp h MET 82 Ca 0.06 -0.13 -0.04 0.00 -0.61 0.00 0.00 59.70 58.99 2cnp h MET 82 Cb 0.53 -0.13 0.01 0.00 0.43 0.00 0.00 31.60 32.44 2cnp h MET 82 CO -0.25 0.66 -0.36 0.82 -0.40 0.00 0.00 176.91 177.38 2cnp h ILE 83 N 0.74 0.00 -0.29 1.77 2.04 -0.17 -3.28 117.51 118.32 2cnp h ILE 83 Ca 0.17 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 2cnp h ILE 83 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 2cnp h ILE 83 CO -0.01 0.00 -0.27 0.10 0.00 0.00 0.00 178.15 177.98 2cnp h TYR 84 N -1.21 0.66 -0.01 1.37 -0.00 -1.13 -2.84 116.97 113.82 2cnp h TYR 84 Ca -0.10 -0.15 -0.69 0.00 0.00 0.00 0.00 58.73 57.78 2cnp h TYR 84 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 2cnp h TYR 84 CO 0.01 0.79 3.43 0.09 -0.00 0.00 0.00 178.16 182.49 2cnp n ASN 85 N -4.10 5.94 -0.27 0.10 3.02 0.55 -4.79 115.26 115.71 2cnp n ASN 85 Ca -0.00 -2.73 0.11 0.00 -0.03 0.00 0.00 54.58 51.92 2cnp n ASN 85 Cb 0.43 -1.62 0.21 0.00 -0.61 0.00 0.00 39.78 38.20 2cnp n ASN 85 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2cnp n GLU 86 N 5.02 -0.06 -0.16 3.52 -0.58 -1.07 -0.67 120.64 126.64 2cnp n GLU 86 Ca 0.63 1.16 -0.03 0.00 -0.42 0.00 0.00 57.16 58.50 2cnp n GLU 86 Cb 0.32 -1.83 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cnp n ALA 87 N -3.32 -0.19 0.32 0.62 0.00 -1.26 -0.76 120.51 115.93 2cnp n ALA 87 Ca 0.17 0.34 0.22 0.00 0.00 0.00 0.00 53.44 54.17 2cnp n ALA 87 Cb 0.57 -0.09 1.14 0.00 0.00 0.00 0.00 19.45 21.08 2cnp n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cnp h LEU 88 N 0.00 0.00 -1.24 0.00 3.38 -1.13 0.69 115.31 117.01 2cnp h LEU 88 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2cnp h LEU 88 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2cnp h LEU 88 CO -0.36 0.00 -0.38 0.11 0.09 0.00 0.00 178.44 177.90 2cnp h LYS 89 N 0.00 0.00 0.00 1.13 1.57 -1.13 -3.51 116.57 114.62 2cnp h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cnp h LYS 89 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2cnp h LYS 89 CO 0.00 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 179.67