#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnp s ALA 2 N 0.00 2.26 1.13 3.04 0.00 -1.26 -4.97 121.76 121.96 1cnp s ALA 2 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 1cnp s ALA 2 Cb 0.00 -4.19 0.26 0.00 0.00 0.00 0.00 23.12 19.19 1cnp s ALA 2 CO 0.00 -3.52 1.05 -1.54 0.00 0.00 0.00 175.76 171.75 1cnp s SER 3 N 9.68 1.35 0.52 0.00 1.04 -1.26 -4.67 113.70 120.36 1cnp s SER 3 Ca 0.96 1.27 0.25 0.00 0.48 0.00 0.00 55.95 58.91 1cnp s SER 3 Cb -0.25 -1.98 1.37 0.00 0.10 0.00 0.00 66.02 65.26 1cnp s SER 3 CO 0.30 -3.94 1.97 -0.65 0.98 0.00 0.00 173.24 171.91 1cnp h PRO 4 N -2.44 0.05 0.09 4.02 0.11 -1.98 0.95 132.00 132.79 1cnp h PRO 4 Ca -0.58 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1cnp h PRO 4 Cb 1.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1cnp h PRO 4 CO 0.52 0.03 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.23 1cnp h LEU 5 N 0.05 -0.10 -0.39 2.35 4.07 -1.99 0.80 115.31 120.10 1cnp h LEU 5 Ca 0.29 -0.40 0.07 0.00 0.08 0.00 0.00 57.88 57.92 1cnp h LEU 5 Cb 1.08 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 1cnp h LEU 5 CO -0.02 0.37 -0.01 0.44 -1.08 0.00 0.00 178.44 178.14 1cnp h ASP 6 N -0.59 -0.19 0.09 -0.43 3.32 -1.73 0.02 116.42 116.91 1cnp h ASP 6 Ca -0.01 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1cnp h ASP 6 Cb 0.49 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1cnp h ASP 6 CO 0.02 -0.06 -0.29 -0.61 -1.72 0.00 0.00 179.24 176.58 1cnp h GLN 7 N 0.09 -0.48 -0.08 3.56 4.15 -0.80 0.24 115.11 121.78 1cnp h GLN 7 Ca 0.19 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.68 1cnp h GLN 7 Cb 0.28 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1cnp h GLN 7 CO -0.33 -0.32 -0.12 0.00 -1.93 0.00 0.00 178.83 176.13 1cnp h ALA 8 N 0.21 -0.07 -0.47 3.38 0.00 -0.23 0.21 119.26 122.29 1cnp h ALA 8 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1cnp h ALA 8 Cb 0.54 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1cnp h ALA 8 CO -0.19 -0.59 0.09 0.82 0.00 0.00 0.00 179.25 179.38 1cnp h ILE 9 N -0.16 0.73 -0.68 0.00 2.04 -0.90 -1.21 117.51 117.33 1cnp h ILE 9 Ca 0.07 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1cnp h ILE 9 Cb 0.27 0.49 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 1cnp h ILE 9 CO -0.18 0.04 0.04 1.23 0.00 0.00 0.00 178.15 179.28 1cnp h GLY 10 N 0.22 0.78 1.00 5.37 0.00 0.81 0.10 103.07 111.35 1cnp h GLY 10 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1cnp h GLY 10 CO -0.31 -0.22 -0.11 1.41 0.00 0.00 0.00 176.54 177.30 1cnp h LEU 11 N 0.14 -0.27 -0.59 3.11 3.38 0.51 0.33 115.31 121.92 1cnp h LEU 11 Ca 0.36 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.38 1cnp h LEU 11 Cb 0.61 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 1cnp h LEU 11 CO -0.56 -0.19 0.34 -0.07 0.09 0.00 0.00 178.44 178.05 1cnp h LEU 12 N -0.33 0.52 -0.47 1.67 -0.00 -0.61 0.64 115.31 116.73 1cnp h LEU 12 Ca -0.03 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1cnp h LEU 12 Cb 0.25 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 1cnp h LEU 12 CO 0.05 0.35 0.19 0.40 -0.00 0.00 0.00 178.44 179.43 1cnp h ILE 13 N 0.65 1.21 0.45 1.22 2.04 -0.71 -2.86 117.51 119.49 1cnp h ILE 13 Ca 0.25 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1cnp h ILE 13 Cb 0.11 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1cnp h ILE 13 CO -0.14 0.24 -0.31 1.23 0.00 0.00 0.00 178.15 179.17 1cnp h GLY 14 N 0.62 -0.97 1.35 5.37 0.00 0.56 -3.25 103.07 106.75 1cnp h GLY 14 Ca 0.16 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1cnp h GLY 14 CO -0.01 -0.33 0.35 1.19 0.00 0.00 0.00 176.54 177.74 1cnp h ILE 15 N -0.72 1.19 -0.19 2.60 6.09 -0.98 -2.99 117.51 122.50 1cnp h ILE 15 Ca -0.06 -0.46 0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1cnp h ILE 15 Cb 0.58 0.33 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1cnp h ILE 15 CO 0.04 0.20 -0.11 0.33 -3.07 0.00 0.00 178.15 175.54 1cnp n PHE 16 N -4.39 -0.08 1.18 2.19 7.35 -1.08 -0.32 117.46 122.30 1cnp n PHE 16 Ca 0.06 0.24 0.13 0.00 -0.76 0.00 0.00 57.45 57.11 1cnp n PHE 16 Cb 0.09 -0.36 0.33 0.00 0.35 0.00 0.00 39.48 39.89 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 -3.29 0.00 -0.11 -5.13 1.44 -1.21 -3.51 115.22 103.41 1cnp n HIS 17 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.60 1cnp n HIS 17 Cb 0.05 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 29.98 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 0.94 0.68 -3.96 -1.40 3.11 -0.52 -3.28 116.57 112.14 1cnp h LYS 18 Ca 0.00 -0.29 -0.65 0.00 -2.81 0.00 0.00 60.65 56.90 1cnp h LYS 18 Cb 0.51 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1cnp h LYS 18 CO 0.00 0.89 2.90 0.66 -2.81 0.00 0.00 179.45 181.08 1cnp n TYR 19 N -4.36 2.58 -1.35 1.91 4.01 -0.02 -4.52 117.16 115.41 1cnp n TYR 19 Ca -0.03 -2.49 -0.27 0.00 -0.16 0.00 0.00 57.90 54.96 1cnp n TYR 19 Cb 0.38 -2.16 0.13 0.00 -0.31 0.00 0.00 39.34 37.37 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 6.00 5.39 0.00 7.72 7.64 -1.24 -4.71 113.62 134.42 1cnp n SER 20 Ca 0.54 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.70 1cnp n SER 20 Cb 0.34 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.02 1.88 3.39 0.23 0.00 -1.26 -4.45 105.19 103.96 1cnp n GLY 21 Ca 0.57 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 46.29 1cnp n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cnp s LYS 22 N 0.00 1.20 -0.28 1.61 2.47 -1.26 -4.85 119.74 118.62 1cnp s LYS 22 Ca 0.00 -0.96 -0.28 0.00 -1.56 0.00 0.00 55.97 53.17 1cnp s LYS 22 Cb 0.00 0.44 -0.04 0.00 -1.46 0.00 0.00 37.83 36.77 1cnp s LYS 22 CO 0.00 -0.47 2.10 -1.21 0.16 0.00 0.00 175.35 175.93 1cnp s GLU 23 N -3.89 3.10 0.00 4.03 8.01 -1.26 -4.79 118.70 123.90 1cnp s GLU 23 Ca 0.11 1.77 0.00 0.00 0.01 0.00 0.00 54.97 56.85 1cnp s GLU 23 Cb 0.02 -4.34 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 1cnp s GLU 23 CO -0.04 -2.14 0.00 0.41 0.01 0.00 0.00 175.26 173.50 1cnp n GLY 24 N 5.68 2.01 1.56 -1.39 0.00 -1.26 -5.04 105.19 106.76 1cnp n GLY 24 Ca 0.28 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 5.09 -2.57 1.61 2.03 -1.26 -4.45 116.55 117.00 1cnp n ASP 25 Ca 0.00 -2.35 -0.24 0.00 0.52 0.00 0.00 54.79 52.72 1cnp n ASP 25 Cb 0.00 -1.10 -0.10 0.00 -0.72 0.00 0.00 41.12 39.20 1cnp n ASP 25 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cnp n LYS 26 N 1.61 2.76 -0.79 -0.67 3.00 -1.26 -4.94 118.16 117.87 1cnp n LYS 26 Ca 0.03 -1.69 -0.33 0.00 -0.00 0.00 0.00 58.31 56.33 1cnp n LYS 26 Cb 0.51 -2.31 0.12 0.00 0.00 0.00 0.00 35.03 33.35 1cnp n LYS 26 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1cnp n HIS 27 N 2.63 -1.56 -1.31 5.64 1.44 -1.26 -4.53 115.22 116.26 1cnp n HIS 27 Ca 0.56 0.22 0.03 0.00 -2.01 0.00 0.00 57.72 56.52 1cnp n HIS 27 Cb 0.62 -1.76 -0.01 0.00 0.12 0.00 0.00 29.99 28.96 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 -3.63 -2.19 -2.72 0.61 -2.24 -1.26 -4.86 114.28 97.98 1cnp n THR 28 Ca 0.06 1.16 -0.34 0.00 -2.27 0.00 0.00 64.05 62.66 1cnp n THR 28 Cb 0.54 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.85 1cnp n THR 28 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cnp n LEU 29 N -2.71 6.01 -3.76 3.22 4.32 -0.15 -4.86 117.00 119.09 1cnp n LEU 29 Ca -0.01 -5.48 -0.40 0.00 -0.02 0.00 0.00 56.01 50.10 1cnp n LEU 29 Cb 0.44 -0.87 -0.09 0.00 -1.62 0.00 0.00 43.42 41.29 1cnp n LEU 29 CO 0.01 2.18 1.71 -1.54 -1.22 0.00 0.00 177.39 178.52 1cnp n SER 30 N -0.19 1.86 0.00 -1.43 3.41 -1.26 -3.73 113.62 112.29 1cnp n SER 30 Ca 0.40 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1cnp n SER 30 Cb 0.33 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1cnp n SER 30 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1cnp n LYS 31 N 7.63 0.00 0.02 4.33 3.00 -1.26 -4.35 118.16 127.53 1cnp n LYS 31 Ca 0.47 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.85 1cnp n LYS 31 Cb 0.42 0.00 0.31 0.00 0.00 0.00 0.00 35.03 35.76 1cnp n LYS 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1cnp n LYS 32 N 0.00 0.03 -0.10 1.64 0.00 -1.26 -0.72 118.16 117.74 1cnp n LYS 32 Ca 0.00 0.31 -0.20 0.00 -0.00 0.00 0.00 58.31 58.43 1cnp n LYS 32 Cb 0.00 -1.56 -0.10 0.00 -0.00 0.00 0.00 35.03 33.37 1cnp n LYS 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1cnp n GLU 33 N -1.62 0.55 -0.27 -1.58 4.71 -1.26 -4.40 120.64 116.77 1cnp n GLU 33 Ca 0.03 0.55 0.22 0.00 -0.01 0.00 0.00 57.16 57.95 1cnp n GLU 33 Cb 0.16 -1.72 0.55 0.00 -1.01 0.00 0.00 31.44 29.42 1cnp n GLU 33 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1cnp h LEU 34 N -1.00 0.34 -0.95 -4.62 5.85 -1.27 0.48 115.31 114.15 1cnp h LEU 34 Ca -0.32 0.05 0.38 0.00 0.84 0.00 0.00 57.88 58.82 1cnp h LEU 34 Cb 1.21 -0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.06 1cnp h LEU 34 CO -0.19 0.11 0.44 2.29 -0.34 0.00 0.00 178.44 180.74 1cnp n LYS 35 N -4.49 -0.06 0.01 1.25 -0.00 0.10 -0.15 118.16 114.82 1cnp n LYS 35 Ca 0.21 1.32 -0.00 0.00 -0.00 0.00 0.00 58.31 59.84 1cnp n LYS 35 Cb 0.82 -2.33 0.29 0.00 -0.00 0.00 0.00 35.03 33.82 1cnp n LYS 35 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1cnp h GLU 36 N 0.00 0.50 0.00 -1.58 5.08 -1.17 -3.13 114.58 114.28 1cnp h GLU 36 Ca 0.77 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.86 1cnp h GLU 36 Cb 1.99 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 1cnp h GLU 36 CO -0.75 0.55 -1.07 -0.11 -1.00 0.00 0.00 179.01 176.63 1cnp n LEU 37 N -4.27 1.85 -0.17 1.33 0.00 0.79 -4.17 117.00 112.37 1cnp n LEU 37 Ca 0.01 0.49 -0.08 0.00 0.00 0.00 0.00 56.01 56.44 1cnp n LEU 37 Cb 0.26 -0.92 0.01 0.00 0.00 0.00 0.00 43.42 42.78 1cnp n LEU 37 CO 0.39 0.01 1.02 -0.29 0.00 0.00 0.00 177.39 178.52 1cnp h ILE 38 N -1.00 1.17 -0.14 1.96 2.10 -0.90 -1.46 117.51 119.23 1cnp h ILE 38 Ca -0.24 -0.42 -0.02 0.00 1.08 0.00 0.00 64.86 65.26 1cnp h ILE 38 Cb 1.03 0.55 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 1cnp h ILE 38 CO -0.14 0.18 0.01 1.56 -1.08 0.00 0.00 178.15 178.68 1cnp h GLN 39 N 0.65 0.24 0.00 2.19 4.20 -1.77 -3.40 115.11 117.22 1cnp h GLN 39 Ca 0.17 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1cnp h GLN 39 Cb 0.04 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1cnp h GLN 39 CO -0.03 0.45 0.00 1.63 -0.67 0.00 0.00 178.83 180.21 1cnp n LYS 40 N -4.79 0.00 0.05 1.46 5.02 -1.01 -4.62 118.16 114.26 1cnp n LYS 40 Ca -0.05 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1cnp n LYS 40 Cb 0.19 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.75 1cnp n LYS 40 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cnp h GLU 41 N 0.00 0.26 -0.74 1.97 3.07 -1.53 0.12 114.58 117.73 1cnp h GLU 41 Ca 0.00 -0.02 0.17 0.00 -0.50 0.00 0.00 59.36 59.02 1cnp h GLU 41 Cb 0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 1cnp h GLU 41 CO 0.00 0.17 0.50 -0.07 -1.40 0.00 0.00 179.01 178.22 1cnp h LEU 42 N 0.27 0.24 -1.03 1.33 3.38 -1.51 -3.46 115.31 114.53 1cnp h LEU 42 Ca 0.16 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 1cnp h LEU 42 Cb 0.31 -0.03 0.12 0.00 0.09 0.00 0.00 40.66 41.15 1cnp h LEU 42 CO -0.03 0.12 -0.58 0.41 0.09 0.00 0.00 178.44 178.44 1cnp n THR 43 N -4.43 -2.98 -0.22 0.22 -1.04 0.03 -4.88 114.28 100.97 1cnp n THR 43 Ca 0.14 -0.08 0.21 0.00 -2.04 0.00 0.00 64.05 62.28 1cnp n THR 43 Cb 0.63 -3.78 0.56 0.00 -1.82 0.00 0.00 70.33 65.92 1cnp n THR 43 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1cnp h ILE 44 N -2.15 0.66 -1.30 12.58 3.07 -1.81 0.35 117.51 128.91 1cnp h ILE 44 Ca -0.48 -0.11 0.40 0.00 1.55 0.00 0.00 64.86 66.22 1cnp h ILE 44 Cb 1.31 0.31 -0.11 0.00 -0.27 0.00 0.00 36.82 38.06 1cnp h ILE 44 CO 0.46 0.06 0.86 1.23 -1.05 0.00 0.00 178.15 179.71 1cnp h GLY 45 N 0.32 0.99 0.70 0.16 0.00 -1.93 0.79 103.07 104.10 1cnp h GLY 45 Ca 0.45 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.72 1cnp h GLY 45 CO -0.14 -0.25 0.31 1.76 0.00 0.00 0.00 176.54 178.22 1cnp h SER 46 N 0.14 0.45 -0.35 0.19 0.02 -1.28 -2.23 113.55 110.49 1cnp h SER 46 Ca 0.75 0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 61.10 1cnp h SER 46 Cb 2.40 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.85 1cnp h SER 46 CO -0.30 0.30 2.81 2.29 -1.14 0.00 0.00 176.83 180.79 1cnp n LYS 47 N -4.84 3.67 -1.42 3.45 2.85 0.27 -4.93 118.16 117.20 1cnp n LYS 47 Ca 0.06 -2.38 -0.49 0.00 -1.05 0.00 0.00 58.31 54.45 1cnp n LYS 47 Cb 0.15 -2.63 -0.10 0.00 -0.65 0.00 0.00 35.03 31.81 1cnp n LYS 47 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1cnp n LEU 48 N 2.84 1.34 -4.00 -5.58 7.94 -0.84 -0.83 117.00 117.87 1cnp n LEU 48 Ca 0.69 0.30 -0.36 0.00 -1.11 0.00 0.00 56.01 55.53 1cnp n LEU 48 Cb 0.33 -1.13 0.01 0.00 0.53 0.00 0.00 43.42 43.17 1cnp n LEU 48 CO 0.70 -0.85 -0.13 0.00 -1.11 0.00 0.00 177.39 176.00 1cnp n GLN 49 N 8.21 -0.41 -1.28 1.96 1.13 -1.26 -4.94 117.38 120.80 1cnp n GLN 49 Ca 0.50 -0.09 -0.36 0.00 -1.94 0.00 0.00 57.00 55.11 1cnp n GLN 49 Cb 0.15 -1.58 0.07 0.00 0.11 0.00 0.00 30.24 29.00 1cnp n GLN 49 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1cnp n ASP 50 N -1.35 -0.91 -4.68 1.08 2.03 -0.01 -4.75 116.55 107.95 1cnp n ASP 50 Ca -0.08 0.61 -0.51 0.00 0.52 0.00 0.00 54.79 55.33 1cnp n ASP 50 Cb 0.42 -1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 39.52 1cnp n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cnp n ALA 51 N -2.40 0.48 -0.29 -1.67 0.00 -1.26 -4.71 120.51 110.66 1cnp n ALA 51 Ca 0.11 0.36 0.16 0.00 0.00 0.00 0.00 53.44 54.06 1cnp n ALA 51 Cb 0.50 -2.36 0.42 0.00 0.00 0.00 0.00 19.45 18.01 1cnp n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1cnp h GLU 52 N 7.71 0.57 -0.73 0.00 4.39 -1.99 0.45 114.58 124.98 1cnp h GLU 52 Ca -0.47 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1cnp h GLU 52 Cb 1.29 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1cnp h GLU 52 CO 0.93 0.38 0.35 0.82 -1.16 0.00 0.00 179.01 180.33 1cnp h ILE 53 N 0.59 1.23 0.10 3.13 1.08 -2.00 0.01 117.51 121.65 1cnp h ILE 53 Ca 0.51 -0.65 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1cnp h ILE 53 Cb 1.00 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1cnp h ILE 53 CO -0.25 0.28 -0.05 0.58 -0.69 0.00 0.00 178.15 178.02 1cnp h VAL 54 N 1.04 1.13 -0.72 1.67 2.07 -0.58 -3.28 116.25 117.59 1cnp h VAL 54 Ca 0.25 -1.05 0.16 0.00 0.82 0.00 0.00 66.70 66.88 1cnp h VAL 54 Cb 0.11 1.78 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 1cnp h VAL 54 CO -0.03 0.25 0.12 0.11 0.02 0.00 0.00 177.57 178.04 1cnp h LYS 55 N -0.63 0.21 -1.15 1.57 1.57 -0.50 0.34 116.57 117.97 1cnp h LYS 55 Ca -0.01 -0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.08 1cnp h LYS 55 Cb 0.51 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 1cnp h LYS 55 CO 0.02 0.14 0.76 1.25 -0.57 0.00 0.00 179.45 181.05 1cnp h LEU 56 N 0.21 0.32 0.07 2.94 5.85 -1.05 0.18 115.31 123.83 1cnp h LEU 56 Ca 0.40 0.08 -0.33 0.00 0.84 0.00 0.00 57.88 58.87 1cnp h LEU 56 Cb 0.69 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1cnp h LEU 56 CO -0.54 0.00 -1.86 0.23 -0.34 0.00 0.00 178.44 175.93 1cnp n MET 57 N -4.56 0.69 0.00 1.25 2.81 0.85 -4.45 117.12 113.71 1cnp n MET 57 Ca 0.29 0.34 0.08 0.00 -1.81 0.00 0.00 57.70 56.60 1cnp n MET 57 Cb 1.10 -1.69 0.36 0.00 -0.71 0.00 0.00 33.22 32.27 1cnp n MET 57 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1cnp n ASP 58 N -3.78 0.00 -0.95 7.83 -0.08 0.65 -2.08 116.55 118.14 1cnp n ASP 58 Ca -0.34 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1cnp n ASP 58 Cb 0.93 -0.46 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1cnp n ASP 58 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cnp n ASP 59 N -1.46 1.19 -0.62 1.67 2.03 0.54 -4.64 116.55 115.25 1cnp n ASP 59 Ca 0.05 -0.85 0.47 0.00 0.52 0.00 0.00 54.79 54.98 1cnp n ASP 59 Cb 0.18 -0.21 0.72 0.00 -0.72 0.00 0.00 41.12 41.08 1cnp n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1cnp n LEU 60 N 0.74 0.00 -0.46 -2.67 7.94 -0.88 0.06 117.00 121.73 1cnp n LEU 60 Ca 0.00 0.87 0.38 0.00 -1.11 0.00 0.00 56.01 56.15 1cnp n LEU 60 Cb 0.20 -0.44 0.63 0.00 0.53 0.00 0.00 43.42 44.34 1cnp n LEU 60 CO 0.00 -0.87 1.13 -0.67 -1.11 0.00 0.00 177.39 175.87 1cnp n ASP 61 N -3.68 0.15 -0.49 1.96 2.03 -1.26 -0.93 116.55 114.33 1cnp n ASP 61 Ca 0.39 1.17 0.41 0.00 0.52 0.00 0.00 54.79 57.28 1cnp n ASP 61 Cb 1.77 -0.58 0.69 0.00 -0.72 0.00 0.00 41.12 42.28 1cnp n ASP 61 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1cnp h ARG 62 N 0.00 0.03 -0.36 -0.67 0.11 -0.72 -0.29 114.38 112.48 1cnp h ARG 62 Ca 0.80 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.84 1cnp h ARG 62 Cb 2.69 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 33.75 1cnp h ARG 62 CO -0.34 0.02 0.08 -0.97 0.10 0.00 0.00 179.97 178.86 1cnp h ASN 63 N 0.03 0.48 0.00 0.08 -1.24 -1.31 -3.46 115.58 110.17 1cnp h ASN 63 Ca 0.87 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.81 1cnp h ASN 63 Cb 2.86 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 41.79 1cnp h ASN 63 CO -0.39 0.49 0.00 0.29 -1.29 0.00 0.00 177.43 176.53 1cnp n LYS 64 N -4.34 0.00 -3.48 6.67 4.76 -0.12 -4.54 118.16 117.11 1cnp n LYS 64 Ca 0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1cnp n LYS 64 Cb 0.19 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.43 1cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1cnp n ASP 65 N 1.31 -6.02 0.00 4.39 9.92 -1.26 -2.37 116.55 122.53 1cnp n ASP 65 Ca 0.00 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.45 1cnp n ASP 65 Cb 0.00 -4.08 0.00 0.00 -0.64 0.00 0.00 41.12 36.40 1cnp n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cnp n GLN 66 N -3.52 0.00 -3.64 -1.24 -0.00 -1.26 -4.65 117.38 103.07 1cnp n GLN 66 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.83 1cnp n GLN 66 Cb 0.59 -0.20 -0.07 0.00 -0.00 0.00 0.00 30.24 30.57 1cnp n GLN 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1cnp s GLU 67 N 0.00 0.63 -0.66 2.61 -6.30 -1.00 -5.06 118.70 108.92 1cnp s GLU 67 Ca 0.00 0.92 -0.26 0.00 -2.50 0.00 0.00 54.97 53.13 1cnp s GLU 67 Cb 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 34.13 34.31 1cnp s GLU 67 CO 0.00 -0.10 1.90 0.54 0.02 0.00 0.00 175.26 177.62 1cnp s VAL 68 N 1.00 3.35 0.94 3.70 0.11 -1.03 -4.87 120.40 123.61 1cnp s VAL 68 Ca -0.05 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 1cnp s VAL 68 Cb -0.05 -3.91 0.16 0.00 -1.53 0.00 0.00 36.38 31.05 1cnp s VAL 68 CO -0.11 -0.88 1.18 0.20 -3.33 0.00 0.00 175.10 172.16 1cnp s ASN 69 N 8.26 3.23 0.34 3.54 0.01 -1.26 -0.97 114.94 128.09 1cnp s ASN 69 Ca 0.69 0.76 0.11 0.00 -0.71 0.00 0.00 52.86 53.71 1cnp s ASN 69 Cb -0.12 -1.17 0.93 0.00 0.41 0.00 0.00 41.25 41.30 1cnp s ASN 69 CO 0.17 -2.70 1.74 0.15 -1.51 0.00 0.00 177.10 174.95 1cnp h PHE 70 N -1.61 0.94 0.00 2.20 3.57 -1.97 -0.69 116.94 119.37 1cnp h PHE 70 Ca -0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1cnp h PHE 70 Cb 1.31 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1cnp h PHE 70 CO -0.30 0.08 0.00 0.94 -2.23 0.00 0.00 178.31 176.79 1cnp n GLN 71 N -4.82 0.00 -0.21 1.11 -0.06 -1.26 -0.04 117.38 112.10 1cnp n GLN 71 Ca 0.26 0.71 -0.05 0.00 -2.00 0.00 0.00 57.00 55.92 1cnp n GLN 71 Cb 0.77 -1.27 0.05 0.00 -4.06 0.00 0.00 30.24 25.73 1cnp n GLN 71 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1cnp h GLU 72 N 0.00 0.74 -0.55 3.69 4.39 -1.65 -0.13 114.58 121.07 1cnp h GLU 72 Ca 0.00 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.76 1cnp h GLU 72 Cb 0.00 -0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 28.37 1cnp h GLU 72 CO 0.00 0.49 -0.32 -0.92 -1.16 0.00 0.00 179.01 177.10 1cnp h TYR 73 N 0.76 -0.88 0.06 4.33 5.03 -1.06 0.95 116.97 126.17 1cnp h TYR 73 Ca 0.24 0.07 -0.28 0.00 2.58 0.00 0.00 58.73 61.34 1cnp h TYR 73 Cb -0.01 0.47 0.02 0.00 1.55 0.00 0.00 36.73 38.76 1cnp h TYR 73 CO -0.05 -0.37 -1.13 0.97 -1.32 0.00 0.00 178.16 176.25 1cnp h ILE 74 N -0.17 1.30 -0.19 1.81 6.09 0.21 -0.06 117.51 126.50 1cnp h ILE 74 Ca 0.22 -2.38 0.05 0.00 -1.37 0.00 0.00 64.86 61.39 1cnp h ILE 74 Cb 0.54 2.54 -0.07 0.00 0.47 0.00 0.00 36.82 40.30 1cnp h ILE 74 CO -0.64 0.73 -0.26 0.74 -3.07 0.00 0.00 178.15 175.64 1cnp h THR 75 N 0.32 0.37 -0.03 2.19 2.02 -0.82 0.30 112.91 117.27 1cnp h THR 75 Ca -0.15 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1cnp h THR 75 Cb 1.79 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1cnp h THR 75 CO 0.22 0.00 -0.31 0.15 0.37 0.00 0.00 175.52 175.95 1cnp h PHE 76 N -0.30 -0.84 -0.98 3.16 3.57 -0.76 0.14 116.94 120.94 1cnp h PHE 76 Ca 0.12 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.80 1cnp h PHE 76 Cb 0.48 0.37 -0.10 0.00 2.79 0.00 0.00 35.95 39.50 1cnp h PHE 76 CO -0.39 -0.39 0.59 -0.07 -2.23 0.00 0.00 178.31 175.82 1cnp h LEU 77 N -0.44 0.80 0.36 0.59 3.38 -0.60 -0.18 115.31 119.23 1cnp h LEU 77 Ca 0.07 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1cnp h LEU 77 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1cnp h LEU 77 CO -0.28 0.35 -0.17 1.23 0.09 0.00 0.00 178.44 179.66 1cnp h GLY 78 N 0.83 -0.51 0.31 0.83 0.00 0.82 0.14 103.07 105.50 1cnp h GLY 78 Ca 0.53 0.19 0.08 0.00 0.00 0.00 0.00 47.33 48.13 1cnp h GLY 78 CO -0.34 -0.18 0.03 0.00 0.00 0.00 0.00 176.54 176.05 1cnp h ALA 79 N 0.01 0.44 0.90 3.60 0.00 -0.10 -0.08 119.26 124.03 1cnp h ALA 79 Ca -0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1cnp h ALA 79 Cb 0.44 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cnp h ALA 79 CO 0.08 -0.37 -0.50 -0.07 0.00 0.00 0.00 179.25 178.40 1cnp h LEU 80 N 0.14 -1.22 -0.61 0.00 3.38 -0.99 -3.27 115.31 112.75 1cnp h LEU 80 Ca 0.22 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.37 1cnp h LEU 80 Cb 0.32 0.34 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1cnp h LEU 80 CO -0.35 -0.79 -0.10 0.00 0.09 0.00 0.00 178.44 177.29 1cnp h ALA 81 N -1.26 0.47 -1.01 1.53 0.00 -0.04 0.17 119.26 119.13 1cnp h ALA 81 Ca -0.12 0.22 0.32 0.00 0.00 0.00 0.00 54.91 55.33 1cnp h ALA 81 Cb 1.01 0.41 -0.15 0.00 0.00 0.00 0.00 17.79 19.07 1cnp h ALA 81 CO 0.16 -0.42 0.58 1.98 0.00 0.00 0.00 179.25 181.55 1cnp h MET 82 N 0.04 0.32 0.00 0.00 -1.53 -1.09 -0.54 114.93 112.12 1cnp h MET 82 Ca 0.30 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 1cnp h MET 82 Cb 0.47 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.45 1cnp h MET 82 CO -0.59 0.21 -0.51 -0.89 0.14 0.00 0.00 176.91 175.28 1cnp n ILE 83 N -5.03 1.27 -0.01 1.77 2.08 0.42 -4.49 119.36 115.36 1cnp n ILE 83 Ca 0.32 0.24 -0.07 0.00 0.56 0.00 0.00 62.75 63.80 1cnp n ILE 83 Cb 0.98 -2.29 -0.13 0.00 -0.75 0.00 0.00 39.64 37.45 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 -4.33 1.00 -0.10 1.39 4.11 -0.11 -4.61 117.16 114.51 1cnp n TYR 84 Ca -0.07 0.36 -0.17 0.00 -0.00 0.00 0.00 57.90 58.02 1cnp n TYR 84 Cb 0.26 -1.17 -0.08 0.00 -0.00 0.00 0.00 39.34 38.35 1cnp n TYR 84 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1cnp n ASN 85 N -3.02 1.86 -3.82 9.48 4.05 -0.30 -4.89 115.26 118.62 1cnp n ASN 85 Ca -0.16 0.47 -0.14 0.00 0.45 0.00 0.00 54.58 55.21 1cnp n ASN 85 Cb 1.02 -0.91 -0.15 0.00 1.23 0.00 0.00 39.78 40.97 1cnp n ASN 85 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1cnp s GLU 86 N -2.37 -0.02 -0.02 1.20 2.56 -0.70 -5.02 118.70 114.33 1cnp s GLU 86 Ca -0.26 0.11 -0.06 0.00 0.00 0.00 0.00 54.97 54.76 1cnp s GLU 86 Cb 0.06 -0.13 -0.24 0.00 2.00 0.00 0.00 34.13 35.81 1cnp s GLU 86 CO 0.46 -0.09 3.52 0.00 -0.56 0.00 0.00 175.26 178.59 1cnp n ALA 87 N 3.66 6.27 -3.69 6.30 0.00 -1.26 -4.31 120.51 127.48 1cnp n ALA 87 Ca -0.20 -1.80 -0.31 0.00 0.00 0.00 0.00 53.44 51.13 1cnp n ALA 87 Cb 0.55 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 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 2.38 -0.60 -3.11 0.00 4.77 -1.26 -0.40 117.00 118.78 1cnp n LEU 88 Ca 0.41 -0.90 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 1cnp n LEU 88 Cb 0.88 -1.15 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1cnp n LEU 88 CO 0.12 0.07 -0.04 0.29 -1.33 0.00 0.00 177.39 176.51 1cnp n LYS 89 N -3.06 -3.82 -0.39 3.23 4.76 -1.26 -5.21 118.16 112.42 1cnp n LYS 89 Ca 0.08 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.19 1cnp n LYS 89 Cb 0.32 -5.43 0.00 0.00 -1.84 0.00 0.00 35.03 28.09 1cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44