#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 0.97 -3.54 3.04 0.00 -1.26 -5.13 120.51 114.59 1cnp n ALA 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1cnp n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1cnp n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1cnp s SER 3 N 0.22 -0.66 0.16 0.00 0.01 -1.26 -5.00 113.70 107.17 1cnp s SER 3 Ca 0.00 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 57.98 1cnp s SER 3 Cb 0.00 0.94 -0.02 0.00 0.21 0.00 0.00 66.02 67.15 1cnp s SER 3 CO 0.00 -0.42 1.55 -0.65 0.41 0.00 0.00 173.24 174.13 1cnp h PRO 4 N 4.03 -0.18 -0.58 12.44 0.11 -2.00 0.15 132.00 145.98 1cnp h PRO 4 Ca -0.28 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.75 1cnp h PRO 4 Cb 1.15 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1cnp h PRO 4 CO 0.24 -0.12 -0.02 1.37 -0.21 0.00 0.00 178.00 179.26 1cnp h LEU 5 N -0.19 1.01 0.37 2.35 -0.00 -1.98 0.29 115.31 117.15 1cnp h LEU 5 Ca 0.16 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.88 57.73 1cnp h LEU 5 Cb 0.53 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1cnp h LEU 5 CO -0.77 1.07 -0.18 -0.78 -0.00 0.00 0.00 178.44 177.79 1cnp h ASP 6 N 0.94 -0.42 -0.43 0.17 3.58 -1.77 0.14 116.42 118.62 1cnp h ASP 6 Ca 0.16 -0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.60 1cnp h ASP 6 Cb 0.57 0.11 -0.09 0.00 1.72 0.00 0.00 39.33 41.63 1cnp h ASP 6 CO 0.03 -0.14 -0.26 -0.61 -2.88 0.00 0.00 179.24 175.38 1cnp h GLN 7 N -0.70 -0.17 0.92 0.28 4.15 -0.67 0.19 115.11 119.10 1cnp h GLN 7 Ca -0.05 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1cnp h GLN 7 Cb 0.49 0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.23 1cnp h GLN 7 CO 0.08 -0.12 -0.44 0.00 -1.93 0.00 0.00 178.83 176.42 1cnp h ALA 8 N 0.99 -1.25 -0.37 3.38 0.00 -0.80 0.71 119.26 121.92 1cnp h ALA 8 Ca 0.20 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1cnp h ALA 8 Cb 0.50 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1cnp h ALA 8 CO -0.53 -1.16 0.01 0.82 0.00 0.00 0.00 179.25 178.38 1cnp h ILE 9 N -1.32 0.73 -0.21 0.00 1.08 -0.79 0.41 117.51 117.42 1cnp h ILE 9 Ca -0.13 -0.04 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1cnp h ILE 9 Cb 0.95 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 35.24 1cnp h ILE 9 CO 0.21 0.02 -0.26 1.23 -0.69 0.00 0.00 178.15 178.66 1cnp h GLY 10 N 0.11 -0.23 0.85 5.37 0.00 -0.63 0.59 103.07 109.13 1cnp h GLY 10 Ca 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1cnp h GLY 10 CO -0.30 -0.20 -0.27 -2.00 0.00 0.00 0.00 176.54 173.77 1cnp h LEU 11 N -0.28 -0.68 0.17 3.11 7.12 0.19 0.16 115.31 125.09 1cnp h LEU 11 Ca 0.12 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 1cnp h LEU 11 Cb 0.48 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1cnp h LEU 11 CO -0.37 -0.42 -0.11 -0.07 -0.13 0.00 0.00 178.44 177.34 1cnp h LEU 12 N -0.66 -0.29 -0.64 2.25 -0.00 -0.79 -0.06 115.31 115.12 1cnp h LEU 12 Ca -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1cnp h LEU 12 Cb 0.55 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.27 1cnp h LEU 12 CO 0.03 -0.18 0.34 0.40 -0.00 0.00 0.00 178.44 179.03 1cnp h ILE 13 N -0.28 1.21 0.95 1.22 2.04 -0.85 -3.23 117.51 118.56 1cnp h ILE 13 Ca -0.01 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1cnp h ILE 13 Cb 0.24 0.39 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1cnp h ILE 13 CO 0.01 0.23 -0.46 1.23 0.00 0.00 0.00 178.15 179.16 1cnp h GLY 14 N 0.88 -1.33 0.38 5.37 0.00 -0.34 -3.29 103.07 104.73 1cnp h GLY 14 Ca 0.22 0.49 0.12 0.00 0.00 0.00 0.00 47.33 48.17 1cnp h GLY 14 CO -0.03 -0.48 0.49 -2.22 0.00 0.00 0.00 176.54 174.29 1cnp h ILE 15 N -1.31 0.83 -0.10 2.60 2.04 -1.04 -2.03 117.51 118.50 1cnp h ILE 15 Ca -0.13 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1cnp h ILE 15 Cb 0.98 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1cnp h ILE 15 CO 0.21 0.14 -0.06 0.33 0.00 0.00 0.00 178.15 178.77 1cnp n PHE 16 N -4.77 -0.04 0.65 1.37 -0.00 -1.22 -1.12 117.46 112.32 1cnp n PHE 16 Ca 0.16 0.12 0.07 0.00 -0.00 0.00 0.00 57.45 57.80 1cnp n PHE 16 Cb 0.37 -0.34 0.18 0.00 -0.00 0.00 0.00 39.48 39.69 1cnp n PHE 16 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1cnp n HIS 17 N -2.96 0.58 -0.31 -5.13 -0.00 -0.79 -3.84 115.22 102.78 1cnp n HIS 17 Ca 0.00 -0.28 0.06 0.00 -0.00 0.00 0.00 57.72 57.50 1cnp n HIS 17 Cb 0.03 -0.01 0.22 0.00 -0.00 0.00 0.00 29.99 30.22 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1cnp h LYS 18 N 2.42 0.70 -5.68 -0.41 3.64 -0.88 0.15 116.57 116.51 1cnp h LYS 18 Ca 0.00 -0.04 -0.44 0.00 -1.27 0.00 0.00 60.65 58.90 1cnp h LYS 18 Cb 0.59 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1cnp h LYS 18 CO 0.01 0.46 1.34 0.71 -2.27 0.00 0.00 179.45 179.70 1cnp s TYR 19 N -5.98 2.19 0.00 1.91 1.51 -1.25 -0.15 117.35 115.58 1cnp s TYR 19 Ca -0.12 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1cnp s TYR 19 Cb 0.21 -4.27 0.00 0.00 -0.11 0.00 0.00 41.96 37.79 1cnp s TYR 19 CO 0.79 -1.53 0.00 0.43 -1.11 0.00 0.00 175.55 174.12 1cnp n SER 20 N 12.23 0.00 -0.92 2.29 7.64 -1.14 -4.88 113.62 128.84 1cnp n SER 20 Ca 0.44 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.20 1cnp n SER 20 Cb 0.47 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 1.30 3.80 0.23 0.00 0.78 -3.14 105.19 108.16 1cnp n GLY 21 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1cnp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cnp n LYS 22 N -2.64 -5.47 -0.06 1.61 4.81 0.51 -4.90 118.16 112.02 1cnp n LYS 22 Ca -0.12 0.63 -0.02 0.00 -0.87 0.00 0.00 58.31 57.93 1cnp n LYS 22 Cb 0.39 -5.39 -0.02 0.00 0.02 0.00 0.00 35.03 30.03 1cnp n LYS 22 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1cnp h GLU 23 N -2.04 -0.02 0.00 1.64 9.09 -1.74 -3.34 114.58 118.17 1cnp h GLU 23 Ca -0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.82 1cnp h GLU 23 Cb 1.37 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 1cnp h GLU 23 CO 0.62 -0.02 -0.26 0.41 0.05 0.00 0.00 179.01 179.81 1cnp n GLY 24 N -1.05 -0.95 3.03 1.06 0.00 -1.26 -5.01 105.19 101.00 1cnp n GLY 24 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1cnp n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cnp n ASP 25 N -0.03 -5.77 -3.10 1.61 8.00 -1.26 -4.95 116.55 111.05 1cnp n ASP 25 Ca 0.00 -0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.03 1cnp n ASP 25 Cb 0.60 -4.68 -0.05 0.00 -0.02 0.00 0.00 41.12 36.98 1cnp n ASP 25 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1cnp n LYS 26 N -3.94 0.52 0.00 -1.24 4.81 -1.26 -5.00 118.16 112.05 1cnp n LYS 26 Ca -0.11 -2.74 0.00 0.00 -0.87 0.00 0.00 58.31 54.59 1cnp n LYS 26 Cb 0.61 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 34.21 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 2.18 0.00 -1.46 5.64 1.44 -1.26 -5.14 115.22 116.63 1cnp n HIS 27 Ca 0.21 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.58 1cnp n HIS 27 Cb 0.54 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.73 1cnp n HIS 27 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1cnp s THR 28 N -2.00 2.48 0.43 0.61 2.01 -1.26 -4.94 115.64 112.97 1cnp s THR 28 Ca 0.00 0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.28 1cnp s THR 28 Cb 0.00 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 69.81 1cnp s THR 28 CO 0.00 -0.13 0.47 0.18 -0.69 0.00 0.00 174.62 174.45 1cnp n LEU 29 N -2.74 0.00 -4.67 4.42 4.77 -0.41 -4.99 117.00 113.38 1cnp n LEU 29 Ca 0.13 -2.05 -0.23 0.00 -0.03 0.00 0.00 56.01 53.83 1cnp n LEU 29 Cb 0.51 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1cnp n LEU 29 CO 0.48 -0.59 -0.29 -0.94 -1.33 0.00 0.00 177.39 174.72 1cnp s SER 30 N -3.62 4.53 0.55 -1.43 1.04 -1.26 -3.41 113.70 110.10 1cnp s SER 30 Ca 0.36 -0.73 0.26 0.00 0.48 0.00 0.00 55.95 56.32 1cnp s SER 30 Cb -0.03 -0.77 1.47 0.00 0.10 0.00 0.00 66.02 66.79 1cnp s SER 30 CO 0.23 -0.11 2.03 0.07 0.98 0.00 0.00 173.24 176.44 1cnp h LYS 31 N 1.78 0.00 0.00 4.02 2.10 -1.97 -0.39 116.57 122.10 1cnp h LYS 31 Ca -0.44 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.15 1cnp h LYS 31 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 1cnp h LYS 31 CO 0.62 0.00 -0.31 1.57 -2.00 0.00 0.00 179.45 179.33 1cnp h LYS 32 N 0.00 0.00 0.09 0.07 2.10 -2.00 0.14 116.57 116.97 1cnp h LYS 32 Ca 0.18 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1cnp h LYS 32 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1cnp h LYS 32 CO -0.00 0.31 -0.04 0.93 -2.00 0.00 0.00 179.45 178.65 1cnp h GLU 33 N 0.00 -0.12 -0.66 0.07 3.07 -1.48 -3.33 114.58 112.13 1cnp h GLU 33 Ca -0.00 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.00 1cnp h GLU 33 Cb 0.55 0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 28.39 1cnp h GLU 33 CO 0.04 0.36 0.13 1.25 -1.40 0.00 0.00 179.01 179.38 1cnp h LEU 34 N -0.66 -0.03 -0.97 1.33 7.12 -1.19 0.11 115.31 121.01 1cnp h LEU 34 Ca -0.01 0.13 0.32 0.00 0.13 0.00 0.00 57.88 58.45 1cnp h LEU 34 Cb 0.53 0.19 -0.17 0.00 -0.53 0.00 0.00 40.66 40.67 1cnp h LEU 34 CO 0.02 -0.03 0.32 0.50 -0.13 0.00 0.00 178.44 179.12 1cnp h LYS 35 N 0.24 0.08 0.16 1.25 3.64 -0.85 0.15 116.57 121.25 1cnp h LYS 35 Ca 0.36 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.47 1cnp h LYS 35 Cb 0.57 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1cnp h LYS 35 CO -0.46 0.05 -1.13 0.93 -2.27 0.00 0.00 179.45 176.56 1cnp h GLU 36 N 0.08 0.48 0.78 1.90 3.07 -0.93 -3.34 114.58 116.63 1cnp h GLU 36 Ca 0.70 -0.73 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1cnp h GLU 36 Cb 1.63 0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 29.79 1cnp h GLU 36 CO -0.78 1.34 -0.50 1.25 -1.40 0.00 0.00 179.01 178.92 1cnp h LEU 37 N -0.01 -1.26 0.28 1.33 6.46 -0.47 -2.96 115.31 118.67 1cnp h LEU 37 Ca -0.19 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1cnp h LEU 37 Cb 1.87 0.37 -0.03 0.00 -0.73 0.00 0.00 40.66 42.13 1cnp h LEU 37 CO 0.21 -0.75 -0.42 -0.29 -0.62 0.00 0.00 178.44 176.57 1cnp h ILE 38 N -1.20 0.16 0.04 4.05 2.10 -0.95 -2.37 117.51 119.34 1cnp h ILE 38 Ca -0.10 0.00 -0.24 0.00 1.08 0.00 0.00 64.86 65.59 1cnp h ILE 38 Cb 0.97 0.16 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 1cnp h ILE 38 CO 0.10 0.00 -1.19 1.56 -1.08 0.00 0.00 178.15 177.54 1cnp h GLN 39 N -0.76 0.09 0.06 2.19 7.50 -1.69 0.31 115.11 122.80 1cnp h GLN 39 Ca -0.01 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 58.99 1cnp h GLN 39 Cb 0.72 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.30 1cnp h GLN 39 CO -0.15 1.00 -0.03 0.87 -1.50 0.00 0.00 178.83 179.03 1cnp h LYS 40 N 0.02 -0.08 0.00 1.46 1.57 -1.54 -3.41 116.57 114.59 1cnp h LYS 40 Ca -0.09 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 1cnp h LYS 40 Cb 1.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1cnp h LYS 40 CO 0.14 0.34 -0.84 0.39 -0.57 0.00 0.00 179.45 178.92 1cnp n GLU 41 N -4.78 0.49 0.15 3.15 1.02 -0.91 -4.77 120.64 114.99 1cnp n GLU 41 Ca -0.05 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.46 1cnp n GLU 41 Cb 0.22 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 1cnp n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1cnp h LEU 42 N -1.00 -0.37 -8.45 -4.62 -0.00 -1.33 -3.43 115.31 96.11 1cnp h LEU 42 Ca -0.11 -0.15 -0.53 0.00 -0.00 0.00 0.00 57.88 57.09 1cnp h LEU 42 Cb 0.80 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.49 1cnp h LEU 42 CO -0.07 0.08 1.15 0.42 -0.00 0.00 0.00 178.44 180.03 1cnp s THR 43 N -3.73 3.63 -1.46 0.22 -4.23 0.07 -4.85 115.64 105.29 1cnp s THR 43 Ca -0.11 0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1cnp s THR 43 Cb 0.01 -4.54 -0.08 0.00 1.34 0.00 0.00 72.50 69.23 1cnp s THR 43 CO 0.40 -1.44 2.79 -0.38 -0.54 0.00 0.00 174.62 175.45 1cnp n ILE 44 N 6.72 3.91 0.00 2.99 5.41 -1.26 -4.88 119.36 132.25 1cnp n ILE 44 Ca 0.10 -2.33 0.00 0.00 1.00 0.00 0.00 62.75 61.52 1cnp n ILE 44 Cb 0.50 -2.51 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cnp n GLY 45 N 3.61 2.91 2.48 7.39 0.00 -1.26 -1.48 105.19 118.84 1cnp n GLY 45 Ca 0.71 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.59 1cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cnp n SER 46 N 2.53 3.25 -3.94 1.61 7.64 -1.26 -4.88 113.62 118.57 1cnp n SER 46 Ca 0.00 -3.07 -0.26 0.00 1.01 0.00 0.00 58.87 56.54 1cnp n SER 46 Cb 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.74 1cnp n SER 46 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1cnp n LYS 47 N -0.48 -3.68 -1.24 1.43 -0.00 -0.55 -4.63 118.16 109.01 1cnp n LYS 47 Ca 0.26 0.45 0.16 0.00 -0.00 0.00 0.00 58.31 59.17 1cnp n LYS 47 Cb 0.82 -4.75 -0.06 0.00 -0.00 0.00 0.00 35.03 31.04 1cnp n LYS 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cnp n LEU 48 N -4.40 -0.75 -3.58 -5.58 7.99 -1.26 -4.93 117.00 104.49 1cnp n LEU 48 Ca -0.24 1.70 -0.21 0.00 -0.01 0.00 0.00 56.01 57.25 1cnp n LEU 48 Cb 0.65 -4.00 0.07 0.00 -0.11 0.00 0.00 43.42 40.03 1cnp n LEU 48 CO 0.75 -2.64 0.09 0.00 -1.51 0.00 0.00 177.39 174.08 1cnp n GLN 49 N -4.04 -6.32 -1.49 3.23 1.13 -1.26 -5.00 117.38 103.62 1cnp n GLN 49 Ca -0.03 0.76 -0.29 0.00 -1.94 0.00 0.00 57.00 55.50 1cnp n GLN 49 Cb 0.58 -5.65 0.15 0.00 0.11 0.00 0.00 30.24 25.43 1cnp n GLN 49 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1cnp s ASP 50 N -4.06 3.19 -0.35 1.08 1.11 -1.26 -4.94 116.67 111.43 1cnp s ASP 50 Ca 0.18 0.91 0.02 0.00 0.18 0.00 0.00 52.55 53.84 1cnp s ASP 50 Cb -0.08 -1.43 0.15 0.00 1.07 0.00 0.00 42.92 42.63 1cnp s ASP 50 CO 0.76 -2.75 0.35 0.00 1.18 0.00 0.00 175.17 174.72 1cnp s ALA 51 N -3.27 -0.35 0.29 5.23 0.00 -1.26 -5.04 121.76 117.37 1cnp s ALA 51 Ca 0.65 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.73 1cnp s ALA 51 Cb -0.14 -1.98 0.76 0.00 0.00 0.00 0.00 23.12 21.76 1cnp s ALA 51 CO 0.54 -2.06 1.67 0.93 0.00 0.00 0.00 175.76 176.84 1cnp h GLU 52 N 7.28 0.29 -0.45 0.00 4.39 -1.98 0.27 114.58 124.37 1cnp h GLU 52 Ca 0.02 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1cnp h GLU 52 Cb 1.05 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 1cnp h GLU 52 CO 0.23 0.19 0.16 0.82 -1.16 0.00 0.00 179.01 179.25 1cnp h ILE 53 N 0.30 0.85 -0.23 3.13 5.03 -1.98 0.16 117.51 124.77 1cnp h ILE 53 Ca 0.57 -0.11 -0.05 0.00 -0.12 0.00 0.00 64.86 65.15 1cnp h ILE 53 Cb 1.15 0.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.43 1cnp h ILE 53 CO -0.60 0.06 -0.05 0.58 -0.68 0.00 0.00 178.15 177.46 1cnp h VAL 54 N 0.33 1.28 -0.74 1.67 2.07 -0.95 -0.34 116.25 119.57 1cnp h VAL 54 Ca 0.21 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1cnp h VAL 54 Cb 0.21 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1cnp h VAL 54 CO -0.22 0.32 0.47 0.11 0.02 0.00 0.00 177.57 178.27 1cnp h LYS 55 N 0.17 0.89 -0.36 1.57 1.57 -0.88 0.13 116.57 119.67 1cnp h LYS 55 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1cnp h LYS 55 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1cnp h LYS 55 CO 0.02 0.59 0.19 1.25 -0.57 0.00 0.00 179.45 180.93 1cnp h LEU 56 N 0.92 0.45 0.25 2.94 5.85 -0.48 0.14 115.31 125.39 1cnp h LEU 56 Ca 0.30 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1cnp h LEU 56 Cb 0.01 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1cnp h LEU 56 CO -0.11 0.42 -0.18 -0.03 -0.34 0.00 0.00 178.44 178.20 1cnp h MET 57 N 0.44 -0.41 -0.74 1.25 4.05 -0.52 -0.30 114.93 118.71 1cnp h MET 57 Ca 0.12 0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.68 1cnp h MET 57 Cb 0.08 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 30.89 1cnp h MET 57 CO -0.02 -0.28 0.36 0.22 0.23 0.00 0.00 176.91 177.42 1cnp h ASP 58 N -0.43 0.44 0.00 1.39 3.58 -0.60 0.89 116.42 121.68 1cnp h ASP 58 Ca -0.02 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1cnp h ASP 58 Cb 0.37 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1cnp h ASP 58 CO 0.01 0.23 0.00 -0.67 -2.88 0.00 0.00 179.24 175.92 1cnp n ASP 59 N -4.89 0.00 -0.33 2.28 2.03 0.49 -3.79 116.55 112.34 1cnp n ASP 59 Ca 0.12 0.96 0.06 0.00 0.52 0.00 0.00 54.79 56.46 1cnp n ASP 59 Cb 0.32 -0.46 0.26 0.00 -0.72 0.00 0.00 41.12 40.52 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1cnp h LEU 60 N 0.00 0.89 -1.55 -2.67 3.38 -0.60 0.57 115.31 115.33 1cnp h LEU 60 Ca 0.00 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.38 1cnp h LEU 60 Cb 0.00 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 1cnp h LEU 60 CO 0.00 0.51 0.85 -0.78 0.09 0.00 0.00 178.44 179.11 1cnp h ASP 61 N 0.98 0.24 -1.00 -0.43 3.58 -0.94 -2.75 116.42 116.10 1cnp h ASP 61 Ca 0.45 0.08 0.38 0.00 0.42 0.00 0.00 57.03 58.36 1cnp h ASP 61 Cb 0.40 0.06 -0.17 0.00 1.72 0.00 0.00 39.33 41.34 1cnp h ASP 61 CO -0.21 -0.05 0.55 0.08 -2.88 0.00 0.00 179.24 176.73 1cnp h ARG 62 N 0.16 0.13 -0.48 0.28 0.11 -0.97 -3.37 114.38 110.23 1cnp h ARG 62 Ca 0.72 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.79 1cnp h ARG 62 Cb 2.30 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 33.35 1cnp h ARG 62 CO -0.27 0.09 0.00 0.27 0.10 0.00 0.00 179.97 180.15 1cnp n ASN 63 N -5.18 0.00 -0.08 0.08 2.04 -1.04 -4.32 115.26 106.77 1cnp n ASN 63 Ca 0.35 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.62 1cnp n ASN 63 Cb 1.16 0.00 0.37 0.00 -2.53 0.00 0.00 39.78 38.78 1cnp n ASN 63 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1cnp n LYS 64 N 0.30 0.30 -0.03 -3.83 5.02 -1.26 -4.33 118.16 114.33 1cnp n LYS 64 Ca 0.00 -0.15 -0.04 0.00 -2.02 0.00 0.00 58.31 56.10 1cnp n LYS 64 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1cnp n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cnp n ASP 65 N -1.22 1.11 0.19 4.39 -0.08 -1.26 -5.08 116.55 114.60 1cnp n ASP 65 Ca 0.08 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1cnp n ASP 65 Cb 0.33 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.26 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 -3.59 0.00 0.20 -0.67 6.02 -1.26 -5.09 117.38 112.98 1cnp n GLN 66 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1cnp n GLN 66 Cb 0.24 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1cnp n GLN 66 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1cnp n GLU 67 N -3.35 0.00 -2.93 -1.09 0.00 -1.26 -5.02 120.64 107.00 1cnp n GLU 67 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.14 1cnp n GLU 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1cnp n GLU 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1cnp s VAL 68 N -2.00 -0.98 0.56 6.31 0.11 -1.22 -4.72 120.40 118.46 1cnp s VAL 68 Ca 0.00 -0.60 0.06 0.00 -2.93 0.00 0.00 61.98 58.51 1cnp s VAL 68 Cb 0.00 0.00 0.07 0.00 -1.53 0.00 0.00 36.38 34.92 1cnp s VAL 68 CO 0.00 0.00 0.77 0.21 -3.33 0.00 0.00 175.10 172.75 1cnp s ASN 69 N 1.25 5.12 0.13 3.54 2.47 -1.26 -1.29 114.94 124.90 1cnp s ASN 69 Ca 0.24 -0.51 -0.24 0.00 0.42 0.00 0.00 52.86 52.77 1cnp s ASN 69 Cb -0.01 -0.19 -0.03 0.00 -1.45 0.00 0.00 41.25 39.57 1cnp s ASN 69 CO -0.06 -1.27 1.64 0.15 -3.72 0.00 0.00 177.10 173.84 1cnp h PHE 70 N 0.14 -0.64 -1.06 0.43 3.57 -1.98 0.22 116.94 117.62 1cnp h PHE 70 Ca -0.36 0.03 0.29 0.00 3.53 0.00 0.00 57.97 61.46 1cnp h PHE 70 Cb 1.28 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 40.21 1cnp h PHE 70 CO 0.29 -0.32 0.66 0.37 -2.23 0.00 0.00 178.31 177.07 1cnp h GLN 71 N -0.33 0.38 0.06 1.11 -0.00 -1.96 0.21 115.11 114.58 1cnp h GLN 71 Ca 0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 1cnp h GLN 71 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.85 1cnp h GLN 71 CO -0.27 0.25 -0.03 0.93 0.00 0.00 0.00 178.83 179.71 1cnp h GLU 72 N 0.39 -0.08 -0.83 1.69 5.08 -1.04 -3.25 114.58 116.54 1cnp h GLU 72 Ca 0.66 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.13 1cnp h GLU 72 Cb 1.59 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.74 1cnp h GLU 72 CO -0.40 -0.05 -0.38 0.98 -1.00 0.00 0.00 179.01 178.15 1cnp n TYR 73 N -3.24 -0.12 0.29 4.33 9.36 0.53 -0.59 117.16 127.72 1cnp n TYR 73 Ca -0.01 1.02 0.14 0.00 3.32 0.00 0.00 57.90 62.38 1cnp n TYR 73 Cb 0.03 -0.72 0.88 0.00 -0.63 0.00 0.00 39.34 38.91 1cnp n TYR 73 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 1cnp h ILE 74 N 0.00 0.56 -0.04 2.97 6.09 -0.73 -3.30 117.51 123.07 1cnp h ILE 74 Ca 0.23 -0.06 0.01 0.00 -1.37 0.00 0.00 64.86 63.67 1cnp h ILE 74 Cb 0.44 1.04 -0.03 0.00 0.47 0.00 0.00 36.82 38.74 1cnp h ILE 74 CO -0.80 0.01 -0.28 0.74 -3.07 0.00 0.00 178.15 174.75 1cnp h THR 75 N 0.00 0.00 -0.17 2.19 2.02 -0.88 0.74 112.91 116.81 1cnp h THR 75 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1cnp h THR 75 Cb 0.04 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1cnp h THR 75 CO 0.00 0.00 -0.73 2.19 0.37 0.00 0.00 175.52 177.35 1cnp h PHE 76 N -0.33 1.06 -0.88 3.16 -0.00 -1.75 -2.77 116.94 115.44 1cnp h PHE 76 Ca 0.01 -0.46 0.21 0.00 -0.00 0.00 0.00 57.97 57.73 1cnp h PHE 76 Cb 0.37 -0.17 -0.17 0.00 -0.00 0.00 0.00 35.95 35.98 1cnp h PHE 76 CO -0.48 1.29 -0.12 -0.11 -0.00 0.00 0.00 178.31 178.89 1cnp n LEU 77 N -3.97 -0.22 0.10 2.10 0.00 -1.05 -0.21 117.00 113.75 1cnp n LEU 77 Ca -0.07 1.51 -0.13 0.00 0.00 0.00 0.00 56.01 57.32 1cnp n LEU 77 Cb 0.72 -0.50 -0.08 0.00 0.00 0.00 0.00 43.42 43.57 1cnp n LEU 77 CO 0.52 -1.48 0.51 1.23 0.00 0.00 0.00 177.39 178.17 1cnp h GLY 78 N 0.00 -1.18 0.95 -3.96 0.00 -0.55 1.00 103.07 99.33 1cnp h GLY 78 Ca 0.47 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 48.41 1cnp h GLY 78 CO -0.87 -0.32 0.08 0.00 0.00 0.00 0.00 176.54 175.43 1cnp h ALA 79 N -0.83 0.19 -0.29 3.60 0.00 -0.85 0.55 119.26 121.63 1cnp h ALA 79 Ca -0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1cnp h ALA 79 Cb 0.59 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1cnp h ALA 79 CO -0.20 -0.29 -0.03 -0.07 0.00 0.00 0.00 179.25 178.66 1cnp h LEU 80 N 0.15 -0.18 0.21 0.00 -0.00 -0.59 0.51 115.31 115.40 1cnp h LEU 80 Ca 0.05 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 58.01 1cnp h LEU 80 Cb 0.05 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1cnp h LEU 80 CO -0.01 -0.06 -0.24 0.00 -0.00 0.00 0.00 178.44 178.14 1cnp h ALA 81 N 1.27 -0.47 -0.75 1.53 0.00 -0.46 0.23 119.26 120.61 1cnp h ALA 81 Ca 0.14 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1cnp h ALA 81 Cb 0.20 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 1cnp h ALA 81 CO -0.26 -0.79 -0.21 1.98 0.00 0.00 0.00 179.25 179.96 1cnp h MET 82 N -0.49 -0.02 0.00 0.00 1.85 -0.31 -1.63 114.93 114.33 1cnp h MET 82 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1cnp h MET 82 Cb 0.47 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.50 1cnp h MET 82 CO -0.07 -0.01 -0.08 0.82 -0.40 0.00 0.00 176.91 177.16 1cnp h ILE 83 N -0.02 0.90 0.00 1.77 2.04 -0.71 -3.27 117.51 118.23 1cnp h ILE 83 Ca 0.35 -1.70 -0.10 0.00 1.00 0.00 0.00 64.86 64.41 1cnp h ILE 83 Cb 0.56 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1cnp h ILE 83 CO -0.78 0.31 -0.47 0.10 0.00 0.00 0.00 178.15 177.31 1cnp h TYR 84 N -1.00 0.00 -0.17 1.37 -0.00 -0.46 -3.34 116.97 113.38 1cnp h TYR 84 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.63 1cnp h TYR 84 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.29 1cnp h TYR 84 CO 0.13 0.47 -0.21 -2.95 -0.00 0.00 0.00 178.16 175.60 1cnp h ASN 85 N 0.00 0.47 0.00 0.10 7.08 -1.47 -3.43 115.58 118.32 1cnp h ASN 85 Ca -0.00 -0.50 0.00 0.00 -3.08 0.00 0.00 56.30 52.71 1cnp h ASN 85 Cb 1.02 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.12 1cnp h ASN 85 CO 0.06 0.88 0.00 -0.62 -2.08 0.00 0.00 177.43 175.67 1cnp n GLU 86 N -4.47 -1.23 -1.08 4.14 1.02 -1.25 -4.86 120.64 112.91 1cnp n GLU 86 Ca -0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.81 1cnp n GLU 86 Cb 0.41 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.76 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 0.00 6.56 -3.38 0.62 0.00 0.42 -4.30 120.51 120.42 1cnp n ALA 87 Ca 0.00 -2.65 -0.17 0.00 0.00 0.00 0.00 53.44 50.63 1cnp n ALA 87 Cb 0.00 -2.95 0.08 0.00 0.00 0.00 0.00 19.45 16.58 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 3.31 -4.57 -1.00 0.00 4.77 -1.23 -4.66 117.00 113.62 1cnp n LEU 88 Ca 0.60 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1cnp n LEU 88 Cb 0.43 -3.13 0.00 0.00 -2.33 0.00 0.00 43.42 38.39 1cnp n LEU 88 CO 0.58 0.28 -0.26 0.29 -1.33 0.00 0.00 177.39 176.95 1cnp n LYS 89 N -3.80 -2.80 -0.70 3.23 4.76 -1.26 -5.18 118.16 112.41 1cnp n LYS 89 Ca -0.21 2.02 0.00 0.00 -2.87 0.00 0.00 58.31 57.26 1cnp n LYS 89 Cb 0.65 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44