#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 -1.80 -1.70 -5.12 0.00 -1.26 -4.89 120.51 105.75 1cnp n ALA 2 Ca 0.00 -0.05 -0.57 0.00 0.00 0.00 0.00 53.44 52.82 1cnp n ALA 2 Cb 0.00 -2.74 -0.07 0.00 0.00 0.00 0.00 19.45 16.64 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 -2.99 2.33 -0.33 0.00 7.64 -1.26 -4.53 113.62 114.47 1cnp n SER 3 Ca -0.20 1.08 -0.01 0.00 1.01 0.00 0.00 58.87 60.75 1cnp n SER 3 Cb 0.63 -1.15 0.04 0.00 -1.01 0.00 0.00 64.21 62.72 1cnp n SER 3 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1cnp n PRO 4 N 5.07 -0.20 -0.13 1.43 -0.02 -1.26 -0.41 135.00 139.48 1cnp n PRO 4 Ca 0.25 1.34 -0.11 0.00 -2.02 0.00 0.00 63.50 62.96 1cnp n PRO 4 Cb 0.14 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1cnp n PRO 4 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cnp h LEU 5 N 0.00 0.70 -0.25 2.45 -0.00 -1.92 0.17 115.31 116.46 1cnp h LEU 5 Ca 0.30 -0.34 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1cnp h LEU 5 Cb 0.52 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1cnp h LEU 5 CO -0.86 0.88 0.12 0.44 -0.00 0.00 0.00 178.44 179.02 1cnp h ASP 6 N 0.51 0.19 -0.98 -0.43 3.32 -1.29 -0.55 116.42 117.19 1cnp h ASP 6 Ca 0.10 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.28 1cnp h ASP 6 Cb 0.55 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.99 1cnp h ASP 6 CO 0.03 0.14 0.62 -0.61 -1.72 0.00 0.00 179.24 177.70 1cnp h GLN 7 N 0.27 0.93 -0.68 3.56 5.75 -0.52 0.12 115.11 124.53 1cnp h GLN 7 Ca 0.10 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1cnp h GLN 7 Cb 0.03 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 1cnp h GLN 7 CO -0.07 0.62 0.44 0.00 -2.65 0.00 0.00 178.83 177.16 1cnp h ALA 8 N 1.54 0.88 -0.76 3.38 0.00 0.81 0.27 119.26 125.38 1cnp h ALA 8 Ca 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1cnp h ALA 8 Cb 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1cnp h ALA 8 CO -0.24 0.23 0.43 0.82 0.00 0.00 0.00 179.25 180.49 1cnp h ILE 9 N 0.87 1.22 -0.58 0.00 1.08 0.33 0.14 117.51 120.57 1cnp h ILE 9 Ca 0.26 -0.54 0.11 0.00 -0.39 0.00 0.00 64.86 64.31 1cnp h ILE 9 Cb -0.03 0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 33.81 1cnp h ILE 9 CO -0.08 0.24 0.09 1.23 -0.69 0.00 0.00 178.15 178.93 1cnp h GLY 10 N 1.09 0.70 1.04 5.37 0.00 0.56 0.03 103.07 111.87 1cnp h GLY 10 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.61 1cnp h GLY 10 CO -0.05 -0.13 0.64 1.41 0.00 0.00 0.00 176.54 178.41 1cnp h LEU 11 N 0.21 1.13 -0.21 3.11 4.07 0.11 0.62 115.31 124.35 1cnp h LEU 11 Ca 0.30 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.27 1cnp h LEU 11 Cb 0.46 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.88 1cnp h LEU 11 CO -0.42 0.83 -0.07 -0.07 -1.08 0.00 0.00 178.44 177.62 1cnp h LEU 12 N 1.33 -0.26 -0.60 1.67 4.07 0.91 0.34 115.31 122.76 1cnp h LEU 12 Ca 0.36 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.42 1cnp h LEU 12 Cb -0.14 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 1cnp h LEU 12 CO -0.08 -0.10 0.35 0.40 -1.08 0.00 0.00 178.44 177.94 1cnp h ILE 13 N -0.04 1.04 0.46 1.22 2.04 -0.45 -1.28 117.51 120.50 1cnp h ILE 13 Ca 0.11 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1cnp h ILE 13 Cb 0.20 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1cnp h ILE 13 CO -0.24 0.13 -0.22 1.23 0.00 0.00 0.00 178.15 179.05 1cnp h GLY 14 N 0.69 -0.64 1.87 5.37 0.00 -0.42 -3.32 103.07 106.62 1cnp h GLY 14 Ca 0.25 0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1cnp h GLY 14 CO -0.12 -0.23 0.08 1.19 0.00 0.00 0.00 176.54 177.45 1cnp h ILE 15 N -0.64 1.04 0.00 2.60 2.10 -0.30 -3.24 117.51 119.06 1cnp h ILE 15 Ca -0.06 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1cnp h ILE 15 Cb 0.47 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 1cnp h ILE 15 CO 0.10 0.04 0.00 0.33 -1.08 0.00 0.00 178.15 177.54 1cnp n PHE 16 N -4.51 0.00 0.01 2.19 7.35 -0.49 -0.42 117.46 121.59 1cnp n PHE 16 Ca -0.01 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.72 1cnp n PHE 16 Cb 0.09 -0.15 0.21 0.00 0.35 0.00 0.00 39.48 39.98 1cnp n PHE 16 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1cnp n HIS 17 N -1.81 1.10 -0.05 -5.13 1.44 -1.23 -3.39 115.22 106.15 1cnp n HIS 17 Ca 0.00 -0.38 -0.15 0.00 -2.01 0.00 0.00 57.72 55.18 1cnp n HIS 17 Cb 0.00 -0.32 -0.07 0.00 0.12 0.00 0.00 29.99 29.72 1cnp n HIS 17 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1cnp h LYS 18 N 2.09 0.56 -5.35 -1.40 3.11 -0.79 -3.34 116.57 111.46 1cnp h LYS 18 Ca 0.00 -0.38 -0.35 0.00 -2.81 0.00 0.00 60.65 57.10 1cnp h LYS 18 Cb 1.28 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.54 1cnp h LYS 18 CO 0.26 1.00 1.16 0.66 -2.81 0.00 0.00 179.45 179.72 1cnp n TYR 19 N -4.28 2.56 -1.71 1.91 4.01 -1.21 -4.45 117.16 114.00 1cnp n TYR 19 Ca -0.06 -1.45 0.05 0.00 -0.16 0.00 0.00 57.90 56.28 1cnp n TYR 19 Cb 0.53 -2.52 0.10 0.00 -0.31 0.00 0.00 39.34 37.14 1cnp n TYR 19 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1cnp n SER 20 N 13.87 1.33 0.00 7.72 7.64 -1.25 -4.69 113.62 138.23 1cnp n SER 20 Ca 0.45 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1cnp n SER 20 Cb 0.46 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.62 1.69 0.00 0.23 0.00 -1.26 -4.36 105.19 100.87 1cnp n GLY 21 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -4.11 1.61 4.76 -1.26 -5.10 118.16 114.06 1cnp n LYS 22 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1cnp n LYS 22 Cb 0.00 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.02 1cnp n LYS 22 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1cnp s GLU 23 N 3.03 1.81 -0.29 1.97 8.01 -1.26 -4.59 118.70 127.37 1cnp s GLU 23 Ca 0.00 -0.38 -0.16 0.00 0.01 0.00 0.00 54.97 54.43 1cnp s GLU 23 Cb 0.00 -1.70 0.17 0.00 -4.31 0.00 0.00 34.13 28.28 1cnp s GLU 23 CO 0.00 -0.19 1.08 0.20 0.01 0.00 0.00 175.26 176.37 1cnp s GLY 24 N 1.40 0.24 0.00 -1.39 0.00 -1.26 -5.05 107.32 101.26 1cnp s GLY 24 Ca 0.00 3.40 0.00 0.00 0.00 0.00 0.00 44.72 48.12 1cnp s GLY 24 CO -0.06 2.64 0.46 1.34 0.00 0.00 0.00 173.10 177.48 1cnp n ASP 25 N 3.44 0.00 -4.19 1.64 -0.08 -1.26 -4.36 116.55 111.73 1cnp n ASP 25 Ca -0.18 0.62 -0.33 0.00 -1.51 0.00 0.00 54.79 53.39 1cnp n ASP 25 Cb 0.57 -0.36 -0.07 0.00 2.34 0.00 0.00 41.12 43.60 1cnp n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cnp n LYS 26 N -1.58 1.35 -3.67 -0.67 4.76 -1.26 -4.78 118.16 112.31 1cnp n LYS 26 Ca 0.00 -2.11 -0.08 0.00 -2.87 0.00 0.00 58.31 53.25 1cnp n LYS 26 Cb 0.00 -3.40 -0.09 0.00 -1.84 0.00 0.00 35.03 29.70 1cnp n LYS 26 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1cnp s HIS 27 N 9.26 -0.84 0.50 2.13 2.46 -1.26 -5.16 115.29 122.37 1cnp s HIS 27 Ca 0.66 1.63 -0.18 0.00 0.47 0.00 0.00 55.06 57.63 1cnp s HIS 27 Cb 0.05 0.40 -0.08 0.00 -0.13 0.00 0.00 32.58 32.82 1cnp s HIS 27 CO 0.15 -0.47 1.00 0.95 -2.47 0.00 0.00 174.74 173.90 1cnp s THR 28 N 2.14 4.23 -1.37 0.89 -4.23 -1.26 -4.79 115.64 111.25 1cnp s THR 28 Ca -0.06 1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 61.54 1cnp s THR 28 Cb -0.10 -3.58 0.09 0.00 1.34 0.00 0.00 72.50 70.25 1cnp s THR 28 CO -0.14 -0.46 2.02 0.18 -0.54 0.00 0.00 174.62 175.67 1cnp n LEU 29 N -1.25 6.47 -3.88 4.79 4.77 0.61 -4.88 117.00 123.63 1cnp n LEU 29 Ca 0.08 -4.29 -0.37 0.00 -0.03 0.00 0.00 56.01 51.40 1cnp n LEU 29 Cb 0.54 -1.61 -0.09 0.00 -2.33 0.00 0.00 43.42 39.92 1cnp n LEU 29 CO 0.42 1.05 1.61 -1.54 -1.33 0.00 0.00 177.39 177.61 1cnp n SER 30 N 5.67 1.84 0.00 -1.43 3.41 -1.26 -3.87 113.62 117.99 1cnp n SER 30 Ca 0.47 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 1cnp n SER 30 Cb 0.39 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1cnp n SER 30 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1cnp n LYS 31 N 7.76 0.00 -0.33 4.33 0.00 0.03 -3.88 118.16 126.07 1cnp n LYS 31 Ca 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.79 1cnp n LYS 31 Cb 0.43 0.00 0.16 0.00 -0.00 0.00 0.00 35.03 35.62 1cnp n LYS 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 1cnp h LYS 32 N 0.00 1.01 -0.24 -1.58 2.10 -1.89 0.67 116.57 116.64 1cnp h LYS 32 Ca 0.00 -0.06 0.06 0.00 -2.00 0.00 0.00 60.65 58.65 1cnp h LYS 32 Cb 0.00 -0.23 -0.06 0.00 -0.90 0.00 0.00 32.23 31.04 1cnp h LYS 32 CO 0.00 0.67 -0.17 0.93 -2.00 0.00 0.00 179.45 178.87 1cnp h GLU 33 N 1.04 -0.16 -0.52 0.07 3.07 -1.83 0.57 114.58 116.83 1cnp h GLU 33 Ca 0.40 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.28 1cnp h GLU 33 Cb 0.20 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1cnp h GLU 33 CO -0.18 -0.11 0.33 -0.07 -1.40 0.00 0.00 179.01 177.59 1cnp h LEU 34 N -0.17 0.57 -0.42 1.33 3.38 -1.37 0.28 115.31 118.91 1cnp h LEU 34 Ca 0.14 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1cnp h LEU 34 Cb 0.37 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 1cnp h LEU 34 CO -0.34 0.41 -0.18 0.50 0.09 0.00 0.00 178.44 178.92 1cnp h LYS 35 N 0.68 -0.09 -0.15 1.13 3.11 -0.59 -1.53 116.57 119.14 1cnp h LYS 35 Ca 0.20 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.97 1cnp h LYS 35 Cb -0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 1cnp h LYS 35 CO -0.06 -0.06 -0.22 1.49 -2.81 0.00 0.00 179.45 177.80 1cnp h GLU 36 N -0.09 0.26 0.00 1.90 4.57 0.37 -3.28 114.58 118.30 1cnp h GLU 36 Ca 0.20 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1cnp h GLU 36 Cb 0.41 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1cnp h GLU 36 CO -0.48 0.47 0.00 -0.11 -1.18 0.00 0.00 179.01 177.71 1cnp n LEU 37 N -4.19 0.23 0.00 1.64 0.00 0.87 -3.94 117.00 111.61 1cnp n LEU 37 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 56.01 56.58 1cnp n LEU 37 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 43.42 43.63 1cnp n LEU 37 CO 0.39 -0.13 0.18 2.30 0.00 0.00 0.00 177.39 180.14 1cnp n ILE 38 N -0.89 0.06 -0.07 1.96 -5.35 -0.65 -0.83 119.36 113.60 1cnp n ILE 38 Ca 0.00 0.02 -0.05 0.00 -0.27 0.00 0.00 62.75 62.45 1cnp n ILE 38 Cb 0.00 -1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 36.86 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 -0.86 0.46 -0.10 6.28 1.13 -1.26 -4.16 117.38 118.87 1cnp n GLN 39 Ca 0.00 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.58 1cnp n GLN 39 Cb 0.01 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.67 1cnp n GLN 39 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1cnp n LYS 40 N -4.61 0.92 0.00 -1.09 5.02 -0.14 -4.89 118.16 113.38 1cnp n LYS 40 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1cnp n LYS 40 Cb 0.28 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 1cnp n LYS 40 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cnp n GLU 41 N 0.76 0.00 0.00 1.97 0.28 -0.01 -4.88 120.64 118.75 1cnp n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1cnp n GLU 41 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cnp n LEU 42 N 0.00 0.00 -3.53 -1.84 4.77 -1.26 -4.49 117.00 110.64 1cnp n LEU 42 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1cnp n LEU 42 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1cnp n LEU 42 CO 0.00 0.00 0.31 -0.89 -1.33 0.00 0.00 177.39 175.48 1cnp s THR 43 N 0.65 0.02 -1.60 -5.08 2.01 -1.26 -5.01 115.64 105.36 1cnp s THR 43 Ca 0.00 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1cnp s THR 43 Cb 0.00 -1.01 -0.09 0.00 0.01 0.00 0.00 72.50 71.41 1cnp s THR 43 CO 0.00 -0.11 2.96 2.30 -0.69 0.00 0.00 174.62 179.08 1cnp n ILE 44 N 0.17 4.29 -0.33 1.82 -5.35 -1.26 -4.56 119.36 114.13 1cnp n ILE 44 Ca -0.18 -2.55 0.01 0.00 -0.27 0.00 0.00 62.75 59.76 1cnp n ILE 44 Cb 0.62 -2.61 0.15 0.00 -1.74 0.00 0.00 39.64 36.06 1cnp n ILE 44 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1cnp h GLY 45 N 7.00 1.36 0.00 3.28 0.00 -1.96 -3.44 103.07 109.32 1cnp h GLY 45 Ca 0.87 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1cnp h GLY 45 CO 1.77 0.29 0.00 -1.14 0.00 0.00 0.00 176.54 177.46 1cnp n SER 46 N -4.58 -3.52 -2.57 0.19 3.41 -1.18 -4.43 113.62 100.94 1cnp n SER 46 Ca 0.13 0.84 -0.19 0.00 -0.26 0.00 0.00 58.87 59.39 1cnp n SER 46 Cb 0.18 3.31 0.03 0.00 -0.26 0.00 0.00 64.21 67.47 1cnp n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cnp n LYS 47 N -3.46 -3.94 0.01 4.33 4.76 -1.26 -4.89 118.16 113.71 1cnp n LYS 47 Ca 0.00 0.80 -0.03 0.00 -2.87 0.00 0.00 58.31 56.21 1cnp n LYS 47 Cb 0.00 -5.40 0.20 0.00 -1.84 0.00 0.00 35.03 28.00 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cnp h LEU 48 N -1.07 0.50 0.00 -0.35 4.07 -1.97 -3.44 115.31 113.05 1cnp h LEU 48 Ca -0.46 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.34 1cnp h LEU 48 Cb 1.32 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1cnp h LEU 48 CO 0.50 0.73 0.00 1.67 -1.08 0.00 0.00 178.44 180.25 1cnp n GLN 49 N -4.14 0.00 0.00 1.13 7.27 -1.26 -5.14 117.38 115.24 1cnp n GLN 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1cnp n GLN 49 Cb 0.39 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.04 1cnp n GLN 49 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1cnp n ASP 50 N -1.39 0.00 -3.45 1.69 5.68 -1.26 -4.47 116.55 113.34 1cnp n ASP 50 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1cnp n ASP 50 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cnp s ALA 51 N -1.98 -0.33 0.25 2.12 0.00 -1.26 -5.04 121.76 115.51 1cnp s ALA 51 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.80 1cnp s ALA 51 Cb 0.00 -1.54 0.33 0.00 0.00 0.00 0.00 23.12 21.91 1cnp s ALA 51 CO 0.00 -1.45 1.58 0.93 0.00 0.00 0.00 175.76 176.82 1cnp h GLU 52 N 8.29 -0.02 -0.49 0.00 3.07 -1.99 0.34 114.58 123.78 1cnp h GLU 52 Ca -0.16 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.80 1cnp h GLU 52 Cb 1.11 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.94 1cnp h GLU 52 CO 0.32 -0.01 -0.01 0.82 -1.40 0.00 0.00 179.01 178.72 1cnp h ILE 53 N -0.02 0.61 0.24 3.13 1.08 -1.98 0.15 117.51 120.72 1cnp h ILE 53 Ca 0.39 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.81 1cnp h ILE 53 Cb 0.63 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1cnp h ILE 53 CO -0.90 0.02 -0.12 0.58 -0.69 0.00 0.00 178.15 177.04 1cnp h VAL 54 N 0.11 0.82 -0.14 1.67 2.07 -0.82 0.65 116.25 120.59 1cnp h VAL 54 Ca 0.25 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1cnp h VAL 54 Cb 0.37 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1cnp h VAL 54 CO -0.42 0.14 -0.03 0.07 0.02 0.00 0.00 177.57 177.35 1cnp h LYS 55 N -0.67 0.21 0.02 1.57 2.10 -0.87 0.18 116.57 119.10 1cnp h LYS 55 Ca -0.03 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1cnp h LYS 55 Cb 0.47 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1cnp h LYS 55 CO 0.05 0.26 -0.01 1.25 -2.00 0.00 0.00 179.45 179.00 1cnp h LEU 56 N 0.21 -0.03 -0.27 7.07 5.85 -0.64 -3.27 115.31 124.23 1cnp h LEU 56 Ca 0.05 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1cnp h LEU 56 Cb 0.20 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1cnp h LEU 56 CO 0.01 0.23 0.12 -0.03 -0.34 0.00 0.00 178.44 178.43 1cnp h MET 57 N -0.28 0.25 -0.95 1.25 4.05 0.64 -2.77 114.93 117.12 1cnp h MET 57 Ca -0.00 -0.02 0.30 0.00 -0.28 0.00 0.00 59.70 59.70 1cnp h MET 57 Cb 0.27 -0.06 -0.16 0.00 -0.80 0.00 0.00 31.60 30.85 1cnp h MET 57 CO 0.01 0.17 0.31 -0.44 0.23 0.00 0.00 176.91 177.18 1cnp h ASP 58 N 0.26 0.04 0.00 1.39 3.32 -0.78 0.01 116.42 120.66 1cnp h ASP 58 Ca 0.11 0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1cnp h ASP 58 Cb 0.05 0.30 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1cnp h ASP 58 CO -0.09 -0.26 0.00 -0.67 -1.72 0.00 0.00 179.24 176.49 1cnp n ASP 59 N -5.27 0.00 0.04 6.45 2.03 -1.05 -0.66 116.55 118.10 1cnp n ASP 59 Ca 0.27 -0.18 -0.12 0.00 0.52 0.00 0.00 54.79 55.29 1cnp n ASP 59 Cb 0.88 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.15 1cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1cnp h LEU 60 N 0.00 0.18 -1.22 -2.67 8.10 -1.17 -3.39 115.31 115.14 1cnp h LEU 60 Ca 0.00 -0.25 0.24 0.00 0.11 0.00 0.00 57.88 57.98 1cnp h LEU 60 Cb 0.00 -0.06 -0.10 0.00 -0.44 0.00 0.00 40.66 40.06 1cnp h LEU 60 CO 0.00 1.21 0.64 -0.78 -4.11 0.00 0.00 178.44 175.40 1cnp h ASP 61 N 0.03 0.56 0.00 0.17 1.82 -1.08 0.53 116.42 118.45 1cnp h ASP 61 Ca -0.18 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1cnp h ASP 61 Cb 1.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1cnp h ASP 61 CO 0.13 0.13 0.33 0.08 -1.61 0.00 0.00 179.24 178.30 1cnp h ARG 62 N 0.51 0.00 -0.50 0.28 0.11 -1.77 -3.34 114.38 109.67 1cnp h ARG 62 Ca 0.60 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.78 1cnp h ARG 62 Cb 1.31 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.29 1cnp h ARG 62 CO -0.35 0.00 -0.11 0.27 0.10 0.00 0.00 179.97 179.88 1cnp n ASN 63 N -2.87 -0.17 -4.57 0.08 2.04 0.18 -3.14 115.26 106.81 1cnp n ASN 63 Ca -0.02 0.86 -0.39 0.00 -0.44 0.00 0.00 54.58 54.58 1cnp n ASN 63 Cb 0.38 -0.26 -0.03 0.00 -2.53 0.00 0.00 39.78 37.33 1cnp n ASN 63 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1cnp s LYS 64 N -5.60 2.74 0.00 -3.83 -2.85 -1.26 -4.19 119.74 104.75 1cnp s LYS 64 Ca -0.07 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 55.95 1cnp s LYS 64 Cb 0.14 -4.37 0.00 0.00 -2.06 0.00 0.00 37.83 31.53 1cnp s LYS 64 CO 0.39 -2.57 0.00 -0.40 0.10 0.00 0.00 175.35 172.87 1cnp n ASP 65 N 12.64 0.00 -1.03 0.03 5.68 -1.26 -4.36 116.55 128.25 1cnp n ASP 65 Ca 0.25 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.41 1cnp n ASP 65 Cb 0.51 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cnp n GLN 66 N 0.00 -0.91 -1.75 0.11 6.02 -1.19 -4.89 117.38 114.77 1cnp n GLN 66 Ca 0.00 0.94 -0.32 0.00 -0.01 0.00 0.00 57.00 57.61 1cnp n GLN 66 Cb 0.00 -5.00 0.05 0.00 1.02 0.00 0.00 30.24 26.31 1cnp n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1cnp n GLU 67 N -2.60 3.04 -1.01 -1.09 -0.58 -1.26 -0.79 120.64 116.36 1cnp n GLU 67 Ca -0.13 -3.71 -0.32 0.00 -0.42 0.00 0.00 57.16 52.58 1cnp n GLU 67 Cb 0.44 -2.28 0.13 0.00 -0.57 0.00 0.00 31.44 29.16 1cnp n GLU 67 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1cnp s VAL 68 N -4.89 2.33 0.00 2.62 -7.23 -1.25 -4.53 120.40 107.45 1cnp s VAL 68 Ca 0.57 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1cnp s VAL 68 Cb 0.46 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1cnp s VAL 68 CO -0.09 -0.12 0.00 -0.46 -0.31 0.00 0.00 175.10 174.12 1cnp n ASN 69 N -3.66 1.47 0.12 4.85 0.23 -1.26 -0.28 115.26 116.73 1cnp n ASN 69 Ca 0.12 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.19 1cnp n ASN 69 Cb 0.52 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.61 1cnp n ASN 69 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1cnp h PHE 70 N 0.00 0.23 0.26 -2.53 3.57 -1.97 -3.28 116.94 113.22 1cnp h PHE 70 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1cnp h PHE 70 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1cnp h PHE 70 CO 0.00 0.36 -0.13 -0.56 -2.23 0.00 0.00 178.31 175.75 1cnp h GLN 71 N 0.21 -0.34 0.72 1.11 -0.00 -1.97 0.18 115.11 115.02 1cnp h GLN 71 Ca 0.04 0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1cnp h GLN 71 Cb 0.37 0.08 0.01 0.00 -0.00 0.00 0.00 27.48 27.94 1cnp h GLN 71 CO 0.02 -0.13 -0.34 0.93 -0.00 0.00 0.00 178.83 179.30 1cnp h GLU 72 N -0.49 -0.93 -0.89 0.06 3.07 -1.97 0.66 114.58 114.09 1cnp h GLU 72 Ca -0.04 0.06 0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1cnp h GLU 72 Cb 0.36 0.21 -0.11 0.00 -0.84 0.00 0.00 28.75 28.38 1cnp h GLU 72 CO 0.06 -0.61 -0.53 0.98 -1.40 0.00 0.00 179.01 177.51 1cnp n TYR 73 N -5.49 -0.39 0.22 4.33 9.36 -1.22 -0.87 117.16 123.09 1cnp n TYR 73 Ca -0.14 1.12 0.10 0.00 3.32 0.00 0.00 57.90 62.30 1cnp n TYR 73 Cb 0.39 -0.57 0.42 0.00 -0.63 0.00 0.00 39.34 38.95 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 0.48 0.59 2.97 6.09 -0.49 -0.31 117.51 126.83 1cnp h ILE 74 Ca 0.14 -1.15 -0.03 0.00 -1.37 0.00 0.00 64.86 62.46 1cnp h ILE 74 Cb 0.37 1.82 0.00 0.00 0.47 0.00 0.00 36.82 39.48 1cnp h ILE 74 CO -0.84 0.20 -0.31 0.74 -3.07 0.00 0.00 178.15 174.87 1cnp h THR 75 N 0.00 0.36 -0.17 2.19 2.02 0.11 0.44 112.91 117.86 1cnp h THR 75 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1cnp h THR 75 Cb 0.80 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1cnp h THR 75 CO 0.03 0.00 -0.12 2.19 0.37 0.00 0.00 175.52 177.99 1cnp h PHE 76 N -0.84 0.45 -0.61 3.16 -5.15 -1.18 0.21 116.94 112.98 1cnp h PHE 76 Ca -0.08 -0.12 0.09 0.00 -0.20 0.00 0.00 57.97 57.66 1cnp h PHE 76 Cb 0.66 -0.10 -0.04 0.00 0.22 0.00 0.00 35.95 36.69 1cnp h PHE 76 CO -0.06 0.72 0.41 -0.07 -2.00 0.00 0.00 178.31 177.31 1cnp h LEU 77 N 0.04 0.42 -0.18 2.10 3.38 -1.11 0.17 115.31 120.14 1cnp h LEU 77 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cnp h LEU 77 Cb 0.62 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1cnp h LEU 77 CO 0.03 0.26 0.04 1.23 0.09 0.00 0.00 178.44 180.09 1cnp h GLY 78 N 0.47 0.30 0.26 0.83 0.00 0.42 0.45 103.07 105.81 1cnp h GLY 78 Ca 0.28 -0.19 0.08 0.00 0.00 0.00 0.00 47.33 47.50 1cnp h GLY 78 CO -0.08 0.18 -0.06 0.00 0.00 0.00 0.00 176.54 176.58 1cnp h ALA 79 N 0.85 0.31 -0.54 3.60 0.00 0.08 -2.06 119.26 121.50 1cnp h ALA 79 Ca 0.05 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1cnp h ALA 79 Cb 0.27 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cnp h ALA 79 CO 0.00 -0.43 0.11 1.25 0.00 0.00 0.00 179.25 180.18 1cnp h LEU 80 N 0.04 0.78 -0.55 0.00 5.85 -0.77 -3.30 115.31 117.37 1cnp h LEU 80 Ca 0.19 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.87 1cnp h LEU 80 Cb 0.29 -0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 1cnp h LEU 80 CO -0.38 0.79 -0.18 0.00 -0.34 0.00 0.00 178.44 178.33 1cnp h ALA 81 N 1.32 0.27 -1.13 1.25 0.00 0.66 0.27 119.26 121.90 1cnp h ALA 81 Ca 0.17 0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.60 1cnp h ALA 81 Cb 0.33 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1cnp h ALA 81 CO 0.00 -0.49 0.76 0.52 0.00 0.00 0.00 179.25 180.04 1cnp h MET 82 N -0.05 0.21 0.00 0.00 2.86 -1.60 -1.54 114.93 114.81 1cnp h MET 82 Ca 0.26 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1cnp h MET 82 Cb 0.45 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1cnp h MET 82 CO -0.59 0.14 -0.32 -0.89 1.06 0.00 0.00 176.91 176.31 1cnp n ILE 83 N -4.47 0.82 0.04 -1.22 2.08 0.74 -3.96 119.36 113.39 1cnp n ILE 83 Ca 0.27 0.33 -0.19 0.00 0.56 0.00 0.00 62.75 63.72 1cnp n ILE 83 Cb 1.08 -2.01 -0.13 0.00 -0.75 0.00 0.00 39.64 37.82 1cnp n ILE 83 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1cnp h TYR 84 N -0.58 0.56 0.06 1.39 -0.00 -0.78 -3.41 116.97 114.22 1cnp h TYR 84 Ca 0.00 -0.37 -0.34 0.00 -0.00 0.00 0.00 58.73 58.02 1cnp h TYR 84 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 36.98 1cnp h TYR 84 CO -0.14 1.26 -1.89 0.27 -0.00 0.00 0.00 178.16 177.66 1cnp n ASN 85 N -4.16 2.02 -3.58 0.10 6.94 -0.65 -3.08 115.26 112.85 1cnp n ASN 85 Ca -0.13 0.24 -0.17 0.00 -0.02 0.00 0.00 54.58 54.51 1cnp n ASN 85 Cb 0.77 -0.84 -0.07 0.00 -2.36 0.00 0.00 39.78 37.29 1cnp n ASN 85 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1cnp s GLU 86 N -2.49 0.95 -0.25 -3.83 2.02 -0.76 -4.90 118.70 109.44 1cnp s GLU 86 Ca -0.27 0.33 -0.07 0.00 0.02 0.00 0.00 54.97 54.98 1cnp s GLU 86 Cb 0.07 0.45 -0.24 0.00 0.10 0.00 0.00 34.13 34.51 1cnp s GLU 86 CO 0.68 -0.26 3.51 0.00 0.02 0.00 0.00 175.26 179.21 1cnp n ALA 87 N 1.32 6.56 -3.12 5.21 0.00 -1.25 -3.53 120.51 125.70 1cnp n ALA 87 Ca -0.18 -2.11 -0.15 0.00 0.00 0.00 0.00 53.44 51.00 1cnp n ALA 87 Cb 0.57 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.62 -1.02 0.00 0.00 4.77 -1.26 -2.07 117.00 120.03 1cnp n LEU 88 Ca 0.48 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cnp n LEU 88 Cb 0.81 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1cnp n LEU 88 CO 0.23 0.20 0.00 0.29 -1.33 0.00 0.00 177.39 176.79 1cnp n LYS 89 N -1.49 0.00 -0.33 3.23 4.76 -1.26 -5.18 118.16 117.89 1cnp n LYS 89 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1cnp n LYS 89 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44