#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 0.00 -1.52 3.04 0.00 -1.26 -5.14 120.51 115.63 1cnp n ALA 2 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1cnp n ALA 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cnp n SER 3 N 0.00 -0.02 -0.33 0.00 7.64 -1.26 -4.61 113.62 115.04 1cnp n SER 3 Ca 0.00 0.75 0.04 0.00 1.01 0.00 0.00 58.87 60.67 1cnp n SER 3 Cb 0.00 -1.31 0.19 0.00 -1.01 0.00 0.00 64.21 62.08 1cnp n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cnp h PRO 4 N 0.25 0.89 0.20 1.43 0.13 -2.01 0.42 132.00 133.31 1cnp h PRO 4 Ca -0.47 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1cnp h PRO 4 Cb 1.37 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1cnp h PRO 4 CO 0.48 0.59 -0.37 1.25 -0.23 0.00 0.00 178.00 179.72 1cnp h LEU 5 N 0.92 -1.07 -0.40 1.56 7.12 -1.99 0.12 115.31 121.57 1cnp h LEU 5 Ca 0.43 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.64 1cnp h LEU 5 Cb 0.37 0.39 -0.08 0.00 -0.53 0.00 0.00 40.66 40.81 1cnp h LEU 5 CO -0.24 -0.47 -0.11 -0.78 -0.13 0.00 0.00 178.44 176.70 1cnp h ASP 6 N -0.66 -0.42 -0.06 1.25 3.58 -1.59 -0.42 116.42 118.11 1cnp h ASP 6 Ca 0.01 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1cnp h ASP 6 Cb 0.65 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1cnp h ASP 6 CO -0.17 -0.15 0.02 1.56 -2.88 0.00 0.00 179.24 177.63 1cnp h GLN 7 N -0.02 0.09 0.51 0.28 1.08 -0.70 0.53 115.11 116.87 1cnp h GLN 7 Ca 0.19 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1cnp h GLN 7 Cb 0.31 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1cnp h GLN 7 CO -0.42 0.23 -0.30 0.00 -0.95 0.00 0.00 178.83 177.38 1cnp h ALA 8 N 0.86 -0.77 -0.92 3.87 0.00 -0.40 0.11 119.26 122.02 1cnp h ALA 8 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1cnp h ALA 8 Cb 0.17 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1cnp h ALA 8 CO -0.00 -0.95 0.59 0.82 0.00 0.00 0.00 179.25 179.71 1cnp h ILE 9 N -0.77 1.13 -0.86 0.00 1.08 -1.12 -2.25 117.51 114.72 1cnp h ILE 9 Ca -0.06 -0.39 0.22 0.00 -0.39 0.00 0.00 64.86 64.25 1cnp h ILE 9 Cb 0.62 -0.10 -0.14 0.00 -3.07 0.00 0.00 36.82 34.13 1cnp h ILE 9 CO 0.06 0.21 0.18 1.23 -0.69 0.00 0.00 178.15 179.14 1cnp h GLY 10 N 1.13 1.25 0.47 5.37 0.00 0.10 0.11 103.07 111.50 1cnp h GLY 10 Ca 0.37 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1cnp h GLY 10 CO -0.13 -0.36 -0.28 1.41 0.00 0.00 0.00 176.54 177.18 1cnp h LEU 11 N 0.18 -0.81 -0.95 3.11 3.38 -0.18 0.39 115.31 120.42 1cnp h LEU 11 Ca 0.53 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1cnp h LEU 11 Cb 1.04 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 42.05 1cnp h LEU 11 CO -0.67 -0.36 0.61 -0.07 0.09 0.00 0.00 178.44 178.03 1cnp h LEU 12 N -0.47 1.12 -1.10 1.67 -0.00 -1.14 0.16 115.31 115.55 1cnp h LEU 12 Ca 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1cnp h LEU 12 Cb 0.52 -0.28 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 1cnp h LEU 12 CO -0.18 0.83 0.42 0.40 -0.00 0.00 0.00 178.44 179.91 1cnp h ILE 13 N 1.30 1.22 0.31 1.22 2.04 -0.42 0.12 117.51 123.31 1cnp h ILE 13 Ca 0.35 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1cnp h ILE 13 Cb -0.11 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1cnp h ILE 13 CO -0.07 0.25 -0.45 1.23 0.00 0.00 0.00 178.15 179.11 1cnp h GLY 14 N 1.09 -1.19 0.40 5.37 0.00 0.17 -2.46 103.07 106.45 1cnp h GLY 14 Ca 0.27 0.58 0.12 0.00 0.00 0.00 0.00 47.33 48.30 1cnp h GLY 14 CO -0.04 -0.34 0.48 -2.22 0.00 0.00 0.00 176.54 174.41 1cnp h ILE 15 N -0.79 0.84 0.00 2.60 5.03 -1.02 -2.81 117.51 121.36 1cnp h ILE 15 Ca -0.04 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1cnp h ILE 15 Cb 0.72 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1cnp h ILE 15 CO -0.13 0.14 0.00 0.33 -0.68 0.00 0.00 178.15 177.81 1cnp n PHE 16 N -4.78 0.00 0.37 1.37 7.35 0.41 -1.27 117.46 120.91 1cnp n PHE 16 Ca 0.16 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.98 1cnp n PHE 16 Cb 0.35 -0.22 0.43 0.00 0.35 0.00 0.00 39.48 40.39 1cnp n PHE 16 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1cnp h HIS 17 N 0.00 0.00 -0.90 -5.13 2.07 -1.66 -2.18 115.15 107.36 1cnp h HIS 17 Ca 0.00 0.00 0.14 0.00 -2.85 0.00 0.00 60.37 57.66 1cnp h HIS 17 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 1cnp h HIS 17 CO -0.30 0.00 0.58 -0.22 -3.07 0.00 0.00 177.93 174.91 1cnp h LYS 18 N 0.00 0.68 -2.55 5.12 3.11 -1.06 -1.49 116.57 120.39 1cnp h LYS 18 Ca 0.00 -0.04 -0.24 0.00 -2.81 0.00 0.00 60.65 57.56 1cnp h LYS 18 Cb 0.67 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.71 1cnp h LYS 18 CO 0.00 0.45 0.78 0.66 -2.81 0.00 0.00 179.45 178.53 1cnp n TYR 19 N -4.57 0.51 0.00 1.91 4.02 -0.39 -2.42 117.16 116.21 1cnp n TYR 19 Ca 0.17 -1.47 0.00 0.00 -0.01 0.00 0.00 57.90 56.59 1cnp n TYR 19 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 39.34 38.30 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1cnp n SER 20 N 3.01 4.31 0.00 7.72 7.64 -0.56 -0.47 113.62 135.27 1cnp n SER 20 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1cnp n SER 20 Cb 0.53 0.59 0.00 0.00 -1.01 0.00 0.00 64.21 64.32 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 2.47 0.93 1.85 0.23 0.00 -1.02 -4.86 105.19 104.79 1cnp n GLY 21 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.86 0.04 1.61 4.76 -1.26 -5.01 118.16 116.44 1cnp n LYS 22 Ca 0.00 -0.94 -0.10 0.00 -2.87 0.00 0.00 58.31 54.41 1cnp n LYS 22 Cb 0.00 -0.82 -0.07 0.00 -1.84 0.00 0.00 35.03 32.29 1cnp n LYS 22 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1cnp h GLU 23 N 0.00 -0.19 0.00 1.97 3.07 -1.93 -3.43 114.58 114.07 1cnp h GLU 23 Ca -0.22 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1cnp h GLU 23 Cb 0.64 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1cnp h GLU 23 CO 0.14 0.23 0.00 0.41 -1.40 0.00 0.00 179.01 178.40 1cnp n GLY 24 N 0.80 -0.40 1.38 -3.84 0.00 -1.26 -4.56 105.19 97.31 1cnp n GLY 24 Ca -0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.74 -8.27 0.00 1.61 -0.08 -1.26 -2.58 116.55 104.23 1cnp n ASP 25 Ca 0.00 0.87 0.00 0.00 -1.51 0.00 0.00 54.79 54.15 1cnp n ASP 25 Cb 0.00 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.07 1cnp n ASP 25 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cnp n LYS 26 N -4.20 2.89 0.00 -0.67 4.81 -1.26 -4.80 118.16 114.93 1cnp n LYS 26 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1cnp n LYS 26 Cb 0.64 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.45 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1cnp n HIS 27 N 0.00 0.00 -0.58 5.64 1.44 -1.26 -4.98 115.22 115.48 1cnp n HIS 27 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1cnp n HIS 27 Cb 0.00 0.00 0.21 0.00 0.12 0.00 0.00 29.99 30.32 1cnp n HIS 27 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1cnp n THR 28 N 0.00 0.00 -3.07 0.61 -2.24 -1.26 -4.55 114.28 103.77 1cnp n THR 28 Ca 0.00 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1cnp n THR 28 Cb 0.00 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1cnp n THR 28 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1cnp s LEU 29 N -5.88 4.10 -0.14 3.22 0.20 0.25 -4.56 118.68 115.88 1cnp s LEU 29 Ca 0.66 1.38 -0.07 0.00 0.69 0.00 0.00 54.13 56.79 1cnp s LEU 29 Cb -0.23 -4.06 -0.04 0.00 -0.43 0.00 0.00 46.19 41.43 1cnp s LEU 29 CO 0.64 -0.18 0.09 -0.55 -0.29 0.00 0.00 176.35 176.06 1cnp s SER 30 N -2.13 5.97 0.62 3.68 0.15 0.38 -1.55 113.70 120.81 1cnp s SER 30 Ca 0.53 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.73 1cnp s SER 30 Cb -0.11 -1.93 1.32 0.00 -1.71 0.00 0.00 66.02 63.59 1cnp s SER 30 CO 0.18 0.32 1.75 0.07 1.20 0.00 0.00 173.24 176.75 1cnp h LYS 31 N 5.65 0.00 0.29 5.44 2.10 -1.96 -1.76 116.57 126.34 1cnp h LYS 31 Ca -0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 1cnp h LYS 31 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1cnp h LYS 31 CO 0.63 0.00 -0.14 0.87 -2.00 0.00 0.00 179.45 178.81 1cnp h LYS 32 N 0.00 -0.38 0.00 0.07 6.56 -1.94 -3.13 116.57 117.75 1cnp h LYS 32 Ca 0.17 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 1cnp h LYS 32 Cb 1.34 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 33.09 1cnp h LYS 32 CO -0.00 -0.25 -0.11 0.93 -2.06 0.00 0.00 179.45 177.95 1cnp h GLU 33 N -0.50 0.00 -0.99 3.15 3.07 -1.65 0.17 114.58 117.82 1cnp h GLU 33 Ca -0.04 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.09 1cnp h GLU 33 Cb 0.30 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.08 1cnp h GLU 33 CO 0.07 0.11 0.56 1.25 -1.40 0.00 0.00 179.01 179.60 1cnp h LEU 34 N 0.00 0.58 -0.99 1.33 5.85 -1.38 0.54 115.31 121.23 1cnp h LEU 34 Ca -0.00 0.16 0.21 0.00 0.84 0.00 0.00 57.88 59.09 1cnp h LEU 34 Cb 0.20 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 1cnp h LEU 34 CO 0.01 -0.00 0.59 0.07 -0.34 0.00 0.00 178.44 178.77 1cnp h LYS 35 N 0.46 0.67 0.05 1.25 5.09 -0.60 -0.12 116.57 123.37 1cnp h LYS 35 Ca 0.67 -0.04 -0.00 0.00 0.09 0.00 0.00 60.65 61.37 1cnp h LYS 35 Cb 1.39 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.57 1cnp h LYS 35 CO -0.54 0.44 -0.02 1.49 -2.09 0.00 0.00 179.45 178.74 1cnp h GLU 36 N 0.69 -0.06 -0.15 0.07 4.57 -1.05 -3.29 114.58 115.36 1cnp h GLU 36 Ca 0.60 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.83 1cnp h GLU 36 Cb 1.00 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.54 1cnp h GLU 36 CO -0.42 0.47 -0.24 1.25 -1.18 0.00 0.00 179.01 178.89 1cnp h LEU 37 N -0.63 -0.74 -0.95 1.64 6.46 -0.68 0.72 115.31 121.13 1cnp h LEU 37 Ca -0.01 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1cnp h LEU 37 Cb 0.56 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1cnp h LEU 37 CO 0.01 -0.29 0.00 2.30 -0.62 0.00 0.00 178.44 179.84 1cnp n ILE 38 N -5.37 0.96 0.00 4.05 -5.35 -0.17 -0.50 119.36 112.98 1cnp n ILE 38 Ca -0.02 0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.90 1cnp n ILE 38 Cb 0.28 -1.40 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 1cnp n ILE 38 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cnp n GLN 39 N -2.20 0.00 0.07 6.28 1.13 -0.50 -4.59 117.38 117.58 1cnp n GLN 39 Ca 0.01 0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 55.12 1cnp n GLN 39 Cb 0.14 -0.45 -0.01 0.00 0.11 0.00 0.00 30.24 30.03 1cnp n GLN 39 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1cnp h LYS 40 N 0.00 -0.19 -0.63 -1.09 3.64 -0.89 -0.75 116.57 116.67 1cnp h LYS 40 Ca 0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1cnp h LYS 40 Cb 0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1cnp h LYS 40 CO 0.00 -0.12 0.16 0.93 -2.27 0.00 0.00 179.45 178.14 1cnp h GLU 41 N -0.33 0.99 0.34 1.90 3.07 -1.60 -2.54 114.58 116.42 1cnp h GLU 41 Ca -0.02 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 1cnp h GLU 41 Cb 0.15 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1cnp h GLU 41 CO 0.03 0.88 -0.17 -0.07 -1.40 0.00 0.00 179.01 178.28 1cnp h LEU 42 N 0.95 -0.39 -0.33 1.33 3.38 -0.92 -3.50 115.31 115.81 1cnp h LEU 42 Ca 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cnp h LEU 42 Cb 0.33 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cnp h LEU 42 CO -0.00 -0.07 -0.37 0.41 0.09 0.00 0.00 178.44 178.50 1cnp n THR 43 N -5.18 -1.44 -1.16 0.22 -1.04 -0.29 -4.54 114.28 100.86 1cnp n THR 43 Ca -0.10 0.64 -0.17 0.00 -2.04 0.00 0.00 64.05 62.39 1cnp n THR 43 Cb 0.27 -1.02 -0.12 0.00 -1.82 0.00 0.00 70.33 67.63 1cnp n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1cnp n ILE 44 N -1.74 3.08 0.00 12.58 -5.35 -1.26 -4.94 119.36 121.73 1cnp n ILE 44 Ca 0.00 -2.00 0.00 0.00 -0.27 0.00 0.00 62.75 60.48 1cnp n ILE 44 Cb 0.15 -1.84 0.00 0.00 -1.74 0.00 0.00 39.64 36.21 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 1.88 0.32 2.61 3.28 0.00 -1.26 -1.69 105.19 110.32 1cnp n GLY 45 Ca 0.44 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.69 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 1.24 -0.32 -1.81 1.61 7.64 -1.26 -4.94 113.62 115.78 1cnp n SER 46 Ca 0.00 -2.81 -0.20 0.00 1.01 0.00 0.00 58.87 56.87 1cnp n SER 46 Cb 0.00 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1cnp n SER 46 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1cnp n LYS 47 N -0.13 -1.45 -2.31 1.43 3.00 -0.68 -4.90 118.16 113.11 1cnp n LYS 47 Ca 0.07 1.10 -0.43 0.00 -0.00 0.00 0.00 58.31 59.05 1cnp n LYS 47 Cb 0.79 -5.54 -0.02 0.00 0.00 0.00 0.00 35.03 30.26 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1cnp s LEU 48 N -4.96 3.94 -1.41 3.14 1.43 -1.26 -1.40 118.68 118.16 1cnp s LEU 48 Ca 0.00 1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 54.44 1cnp s LEU 48 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1cnp s LEU 48 CO 0.00 -1.08 0.64 0.00 0.23 0.00 0.00 176.35 176.13 1cnp n GLN 49 N 7.32 -4.11 -2.84 1.70 6.02 -1.26 -2.93 117.38 121.27 1cnp n GLN 49 Ca 0.16 0.57 -0.07 0.00 -0.01 0.00 0.00 57.00 57.65 1cnp n GLN 49 Cb 0.46 -5.34 0.01 0.00 1.02 0.00 0.00 30.24 26.38 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1cnp n ASP 50 N -2.47 -7.90 -0.30 1.08 -0.08 -0.49 -4.55 116.55 101.83 1cnp n ASP 50 Ca -0.01 0.75 0.03 0.00 -1.51 0.00 0.00 54.79 54.05 1cnp n ASP 50 Cb 0.55 -5.23 0.18 0.00 2.34 0.00 0.00 41.12 38.95 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp h ALA 51 N 2.30 1.23 0.20 -1.67 0.00 -1.63 0.10 119.26 119.79 1cnp h ALA 51 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1cnp h ALA 51 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1cnp h ALA 51 CO 0.17 0.13 -0.10 0.93 0.00 0.00 0.00 179.25 180.39 1cnp h GLU 52 N 0.84 -0.26 -0.12 0.00 3.07 -1.91 0.27 114.58 116.47 1cnp h GLU 52 Ca 0.41 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1cnp h GLU 52 Cb 0.37 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1cnp h GLU 52 CO -0.25 -0.14 0.07 0.82 -1.40 0.00 0.00 179.01 178.12 1cnp h ILE 53 N -0.31 1.05 -0.35 3.13 1.08 -1.77 0.21 117.51 120.55 1cnp h ILE 53 Ca -0.03 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1cnp h ILE 53 Cb 0.24 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.85 1cnp h ILE 53 CO 0.04 0.04 0.06 0.58 -0.69 0.00 0.00 178.15 178.18 1cnp h VAL 54 N 0.14 0.81 -0.95 1.67 2.07 -0.91 -0.50 116.25 118.58 1cnp h VAL 54 Ca 0.04 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1cnp h VAL 54 Cb 0.01 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1cnp h VAL 54 CO -0.01 0.03 0.59 0.50 0.02 0.00 0.00 177.57 178.70 1cnp h LYS 55 N 0.17 1.28 -0.16 1.57 1.63 -0.06 0.52 116.57 121.52 1cnp h LYS 55 Ca 0.17 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1cnp h LYS 55 Cb 0.20 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1cnp h LYS 55 CO -0.23 0.89 0.10 1.25 -3.45 0.00 0.00 179.45 178.00 1cnp h LEU 56 N 1.31 0.18 0.21 5.20 6.46 0.11 0.24 115.31 129.03 1cnp h LEU 56 Ca 0.34 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1cnp h LEU 56 Cb -0.08 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1cnp h LEU 56 CO -0.07 0.16 -0.10 0.24 -0.62 0.00 0.00 178.44 178.05 1cnp h MET 57 N 0.19 -0.28 -0.79 1.25 2.86 -0.49 -2.60 114.93 115.07 1cnp h MET 57 Ca 0.06 0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 1cnp h MET 57 Cb 0.01 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.62 1cnp h MET 57 CO -0.01 -0.14 0.26 0.22 1.06 0.00 0.00 176.91 178.30 1cnp h ASP 58 N -0.34 0.15 -0.97 1.22 3.58 -0.83 -2.80 116.42 116.42 1cnp h ASP 58 Ca -0.03 0.14 0.25 0.00 0.42 0.00 0.00 57.03 57.81 1cnp h ASP 58 Cb 0.26 0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 1cnp h ASP 58 CO 0.05 -0.00 0.65 -0.78 -2.88 0.00 0.00 179.24 176.28 1cnp h ASP 59 N 0.34 0.30 -0.34 2.28 3.58 -0.10 -2.19 116.42 120.29 1cnp h ASP 59 Ca 0.46 0.04 0.10 0.00 0.42 0.00 0.00 57.03 58.05 1cnp h ASP 59 Cb 0.80 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1cnp h ASP 59 CO -0.50 0.09 0.26 -0.07 -2.88 0.00 0.00 179.24 176.14 1cnp h LEU 60 N 0.29 0.00 -1.86 2.28 3.38 -1.56 0.10 115.31 117.94 1cnp h LEU 60 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1cnp h LEU 60 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1cnp h LEU 60 CO -0.17 0.00 0.00 -0.78 0.09 0.00 0.00 178.44 177.58 1cnp h ASP 61 N 0.00 0.00 -0.11 -0.43 3.58 -1.62 -1.40 116.42 116.43 1cnp h ASP 61 Ca 0.16 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1cnp h ASP 61 Cb 0.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 1cnp h ASP 61 CO -0.00 0.00 0.25 0.03 -2.88 0.00 0.00 179.24 176.64 1cnp h ARG 62 N 0.00 0.00 -0.96 0.28 2.47 -1.01 -3.29 114.38 111.87 1cnp h ARG 62 Ca 0.00 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.90 1cnp h ARG 62 Cb 0.01 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.15 1cnp h ARG 62 CO 0.00 0.00 -0.27 -2.95 0.56 0.00 0.00 179.97 177.31 1cnp h ASN 63 N 0.00 -0.98 0.00 7.04 7.08 -1.48 0.18 115.58 127.42 1cnp h ASN 63 Ca 0.05 0.29 0.00 0.00 -3.08 0.00 0.00 56.30 53.56 1cnp h ASN 63 Cb 0.55 0.62 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1cnp h ASN 63 CO -0.00 -0.31 0.00 2.29 -2.08 0.00 0.00 177.43 177.33 1cnp n LYS 64 N -5.58 0.99 -0.06 4.14 2.85 -1.24 -4.56 118.16 114.70 1cnp n LYS 64 Ca 0.14 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.39 1cnp n LYS 64 Cb 0.47 -1.43 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 1cnp n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1cnp n ASP 65 N -0.06 -0.14 0.00 -5.58 -0.08 0.62 -4.67 116.55 106.64 1cnp n ASP 65 Ca 0.00 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1cnp n ASP 65 Cb 0.22 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cnp n GLN 66 N -3.08 0.00 -3.75 -0.67 6.02 -1.26 -3.24 117.38 111.39 1cnp n GLN 66 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1cnp n GLN 66 Cb 0.03 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.16 1cnp n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1cnp s GLU 67 N 0.00 0.14 -0.29 -1.09 2.56 -1.26 -5.03 118.70 113.73 1cnp s GLU 67 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 54.97 54.96 1cnp s GLU 67 Cb 0.00 -0.13 -0.17 0.00 2.00 0.00 0.00 34.13 35.84 1cnp s GLU 67 CO 0.00 -0.15 1.67 0.28 -0.56 0.00 0.00 175.26 176.51 1cnp n VAL 68 N 4.06 0.22 -3.98 3.70 0.31 -0.60 -4.77 118.33 117.26 1cnp n VAL 68 Ca -0.24 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 63.73 1cnp n VAL 68 Cb 0.53 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 1cnp n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1cnp s ASN 69 N 3.15 6.03 0.14 4.52 2.20 -1.26 -0.58 114.94 129.14 1cnp s ASN 69 Ca 0.99 0.21 -0.16 0.00 -0.94 0.00 0.00 52.86 52.96 1cnp s ASN 69 Cb -1.15 -1.80 0.00 0.00 -2.00 0.00 0.00 41.25 36.30 1cnp s ASN 69 CO 0.68 0.22 1.69 0.15 -2.94 0.00 0.00 177.10 176.90 1cnp h PHE 70 N 3.59 0.63 -0.42 1.54 3.57 -1.94 -1.25 116.94 122.66 1cnp h PHE 70 Ca -0.47 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.05 1cnp h PHE 70 Cb 1.17 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.63 1cnp h PHE 70 CO 0.63 0.54 -0.42 0.37 -2.23 0.00 0.00 178.31 177.21 1cnp h GLN 71 N 0.53 -0.30 0.25 1.11 -0.00 -1.98 0.96 115.11 115.67 1cnp h GLN 71 Ca 0.14 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.80 1cnp h GLN 71 Cb 0.18 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1cnp h GLN 71 CO -0.01 -0.20 -0.22 1.49 0.00 0.00 0.00 178.83 179.89 1cnp h GLU 72 N -0.31 -0.44 -0.98 1.69 4.81 -1.86 0.19 114.58 117.69 1cnp h GLU 72 Ca 0.15 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.58 1cnp h GLU 72 Cb 0.58 0.10 -0.18 0.00 0.63 0.00 0.00 28.75 29.88 1cnp h GLU 72 CO -0.58 -0.29 -0.30 -0.92 -0.73 0.00 0.00 179.01 176.18 1cnp h TYR 73 N -0.45 -0.75 0.12 0.92 3.20 -0.91 0.14 116.97 119.24 1cnp h TYR 73 Ca -0.03 0.10 -0.28 0.00 3.14 0.00 0.00 58.73 61.65 1cnp h TYR 73 Cb 0.39 0.48 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1cnp h TYR 73 CO -0.11 -0.42 -1.33 0.97 -1.64 0.00 0.00 178.16 175.64 1cnp h ILE 74 N -0.00 1.40 -0.39 1.81 6.09 -0.74 -0.08 117.51 125.59 1cnp h ILE 74 Ca 0.42 -3.00 0.05 0.00 -1.37 0.00 0.00 64.86 60.96 1cnp h ILE 74 Cb 0.67 2.88 -0.04 0.00 0.47 0.00 0.00 36.82 40.80 1cnp h ILE 74 CO -1.00 0.87 0.13 0.74 -3.07 0.00 0.00 178.15 175.82 1cnp h THR 75 N 0.07 0.88 0.75 2.19 2.02 0.42 0.30 112.91 119.54 1cnp h THR 75 Ca -0.16 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.88 1cnp h THR 75 Cb 1.98 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1cnp h THR 75 CO 0.19 0.05 -0.36 0.15 0.37 0.00 0.00 175.52 175.92 1cnp h PHE 76 N 0.29 -0.93 -0.81 3.16 3.57 -0.76 0.30 116.94 121.76 1cnp h PHE 76 Ca 0.18 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1cnp h PHE 76 Cb 0.17 0.31 -0.13 0.00 2.79 0.00 0.00 35.95 39.09 1cnp h PHE 76 CO -0.15 -0.57 0.17 -0.07 -2.23 0.00 0.00 178.31 175.46 1cnp h LEU 77 N -1.24 -0.07 0.15 0.59 3.38 -1.01 -2.03 115.31 115.08 1cnp h LEU 77 Ca -0.10 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1cnp h LEU 77 Cb 0.78 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1cnp h LEU 77 CO 0.17 -0.12 -0.22 1.23 0.09 0.00 0.00 178.44 179.59 1cnp h GLY 78 N 0.21 -0.43 0.80 0.83 0.00 0.16 0.27 103.07 104.92 1cnp h GLY 78 Ca 0.48 0.26 0.03 0.00 0.00 0.00 0.00 47.33 48.09 1cnp h GLY 78 CO -0.61 -0.20 0.11 0.00 0.00 0.00 0.00 176.54 175.84 1cnp h ALA 79 N 0.33 0.33 0.28 3.60 0.00 0.19 0.20 119.26 124.19 1cnp h ALA 79 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1cnp h ALA 79 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cnp h ALA 79 CO -0.10 -0.29 -0.13 -0.07 0.00 0.00 0.00 179.25 178.66 1cnp h LEU 80 N 0.25 -0.32 -0.14 0.00 3.38 -1.29 -3.25 115.31 113.95 1cnp h LEU 80 Ca 0.12 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1cnp h LEU 80 Cb 0.07 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1cnp h LEU 80 CO -0.11 -0.18 -0.54 0.00 0.09 0.00 0.00 178.44 177.70 1cnp h ALA 81 N 0.27 -0.89 -0.71 1.53 0.00 0.05 0.27 119.26 119.79 1cnp h ALA 81 Ca -0.04 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1cnp h ALA 81 Cb 0.33 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1cnp h ALA 81 CO 0.06 -1.08 -0.36 -0.12 0.00 0.00 0.00 179.25 177.75 1cnp n MET 82 N -5.38 -0.25 0.00 0.00 0.00 0.01 -0.74 117.12 110.76 1cnp n MET 82 Ca -0.06 1.08 0.00 0.00 0.00 0.00 0.00 57.70 58.72 1cnp n MET 82 Cb 0.37 -1.60 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1cnp n MET 82 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1cnp n ILE 83 N -4.95 0.00 0.49 1.12 2.08 -0.81 -1.25 119.36 116.04 1cnp n ILE 83 Ca 0.04 0.66 0.07 0.00 0.56 0.00 0.00 62.75 64.08 1cnp n ILE 83 Cb 0.23 -1.56 0.30 0.00 -0.75 0.00 0.00 39.64 37.86 1cnp n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1cnp n TYR 84 N -1.81 0.00 0.00 1.39 4.11 0.89 -1.01 117.16 120.73 1cnp n TYR 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1cnp n TYR 84 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 38.85 1cnp n TYR 84 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1cnp n ASN 85 N -1.49 0.00 -2.47 9.48 0.23 0.08 -4.86 115.26 116.24 1cnp n ASN 85 Ca 0.04 0.78 -0.03 0.00 -0.53 0.00 0.00 54.58 54.83 1cnp n ASN 85 Cb 0.16 -0.48 0.09 0.00 -2.08 0.00 0.00 39.78 37.48 1cnp n ASN 85 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1cnp n GLU 86 N -1.95 1.01 -4.20 -3.83 1.02 -1.19 -4.94 120.64 106.57 1cnp n GLU 86 Ca 0.00 -1.07 -0.34 0.00 -0.02 0.00 0.00 57.16 55.73 1cnp n GLU 86 Cb 0.00 0.24 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 1cnp n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cnp n ALA 87 N -1.03 -1.52 -2.54 0.62 0.00 -0.18 -0.66 120.51 115.20 1cnp n ALA 87 Ca -0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1cnp n ALA 87 Cb 0.79 -2.62 0.04 0.00 0.00 0.00 0.00 19.45 17.65 1cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cnp n LEU 88 N -4.38 -3.00 -3.83 0.00 4.77 -0.38 -3.71 117.00 106.47 1cnp n LEU 88 Ca -0.06 -0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.40 1cnp n LEU 88 Cb 0.56 -1.63 0.01 0.00 -2.33 0.00 0.00 43.42 40.03 1cnp n LEU 88 CO 0.84 0.14 -0.16 0.29 -1.33 0.00 0.00 177.39 177.17 1cnp n LYS 89 N -2.31 -3.31 -0.35 3.23 4.76 -0.74 -5.17 118.16 114.27 1cnp n LYS 89 Ca -0.11 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1cnp n LYS 89 Cb 0.57 -4.62 0.00 0.00 -1.84 0.00 0.00 35.03 29.13 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44