#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cnp n ALA 2 N 0.00 -2.67 -0.94 3.04 0.00 -1.26 -4.94 120.51 113.74 2cnp n ALA 2 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 2cnp n ALA 2 Cb 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.16 2cnp n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2cnp n SER 3 N -2.32 -2.41 -0.27 0.00 7.64 -1.26 -4.23 113.62 110.76 2cnp n SER 3 Ca -0.18 0.38 0.02 0.00 1.01 0.00 0.00 58.87 60.10 2cnp n SER 3 Cb 0.61 -1.15 0.10 0.00 -1.01 0.00 0.00 64.21 62.76 2cnp n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2cnp h PRO 4 N -1.18 0.00 -0.29 1.43 0.11 -1.99 0.31 132.00 130.40 2cnp h PRO 4 Ca -0.44 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 2cnp h PRO 4 Cb 1.30 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 2cnp h PRO 4 CO 0.35 0.00 0.02 -0.07 -0.21 0.00 0.00 178.00 178.09 2cnp h LEU 5 N 0.00 -0.07 -0.32 2.35 3.38 -1.99 0.42 115.31 119.08 2cnp h LEU 5 Ca 0.37 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.41 2cnp h LEU 5 Cb 0.57 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2cnp h LEU 5 CO -0.79 -0.00 0.21 -0.78 0.09 0.00 0.00 178.44 177.17 2cnp h ASP 6 N 0.11 0.35 -0.28 -0.43 3.58 -0.78 0.15 116.42 119.13 2cnp h ASP 6 Ca 0.14 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2cnp h ASP 6 Cb 0.17 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2cnp h ASP 6 CO -0.21 0.25 0.18 -0.61 -2.88 0.00 0.00 179.24 175.97 2cnp h GLN 7 N 0.42 0.36 -0.23 0.28 5.75 -0.71 0.20 115.11 121.18 2cnp h GLN 7 Ca 0.12 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.56 2cnp h GLN 7 Cb -0.04 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2cnp h GLN 7 CO -0.04 0.24 -0.02 0.00 -2.65 0.00 0.00 178.83 176.37 2cnp h ALA 8 N 1.10 0.32 -0.24 3.38 0.00 -0.49 0.20 119.26 123.52 2cnp h ALA 8 Ca 0.10 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2cnp h ALA 8 Cb -0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 2cnp h ALA 8 CO -0.03 0.07 -0.10 0.82 0.00 0.00 0.00 179.25 180.01 2cnp h ILE 9 N 0.18 0.66 -0.70 0.00 2.04 -0.68 -1.21 117.51 117.81 2cnp h ILE 9 Ca 0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.08 2cnp h ILE 9 Cb 0.44 0.66 -0.12 0.00 -0.74 0.00 0.00 36.82 37.06 2cnp h ILE 9 CO 0.02 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.38 2cnp h GLY 10 N -0.06 0.73 0.56 5.37 0.00 -0.13 0.14 103.07 109.68 2cnp h GLY 10 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2cnp h GLY 10 CO -0.29 -0.25 -0.37 1.41 0.00 0.00 0.00 176.54 177.05 2cnp h LEU 11 N 0.09 -1.01 -0.70 3.11 3.38 0.13 0.15 115.31 120.48 2cnp h LEU 11 Ca 0.37 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.47 2cnp h LEU 11 Cb 0.62 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 2cnp h LEU 11 CO -0.62 -0.50 0.42 -0.07 0.09 0.00 0.00 178.44 177.76 2cnp h LEU 12 N -0.72 0.67 0.29 1.67 4.07 -0.07 0.11 115.31 121.33 2cnp h LEU 12 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2cnp h LEU 12 Cb 0.67 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 2cnp h LEU 12 CO -0.10 0.45 -0.35 0.40 -1.08 0.00 0.00 178.44 177.76 2cnp h ILE 13 N 0.81 0.27 -0.27 1.22 2.04 -0.66 -0.57 117.51 120.35 2cnp h ILE 13 Ca 0.29 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 2cnp h ILE 13 Cb 0.08 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 2cnp h ILE 13 CO -0.13 0.00 -0.01 1.23 0.00 0.00 0.00 178.15 179.24 2cnp h GLY 14 N -0.69 0.26 0.40 5.37 0.00 -0.08 0.59 103.07 108.93 2cnp h GLY 14 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.43 2cnp h GLY 14 CO -0.10 -0.06 0.04 -2.22 0.00 0.00 0.00 176.54 174.19 2cnp h ILE 15 N 0.07 0.73 0.44 2.60 1.08 -0.74 0.13 117.51 121.82 2cnp h ILE 15 Ca 0.13 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2cnp h ILE 15 Cb 0.18 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2cnp h ILE 15 CO -0.23 0.03 -0.44 0.15 -0.69 0.00 0.00 178.15 176.97 2cnp h PHE 16 N 0.15 -1.23 -0.98 1.37 3.57 -0.16 -3.06 116.94 116.60 2cnp h PHE 16 Ca 0.20 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.86 2cnp h PHE 16 Cb 0.27 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 2cnp h PHE 16 CO -0.24 -0.59 0.62 1.25 -2.23 0.00 0.00 178.31 177.12 2cnp h HIS 17 N -0.88 1.05 -0.98 0.41 2.76 -0.47 0.18 115.15 117.22 2cnp h HIS 17 Ca -0.06 0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.37 2cnp h HIS 17 Cb 0.76 -0.33 -0.09 0.00 1.55 0.00 0.00 27.41 29.31 2cnp h HIS 17 CO -0.23 0.35 0.63 -0.22 -1.30 0.00 0.00 177.93 177.16 2cnp h LYS 18 N 0.86 0.48 0.00 5.26 3.64 -0.65 0.18 116.57 126.34 2cnp h LYS 18 Ca 0.51 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.57 2cnp h LYS 18 Cb 0.67 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2cnp h LYS 18 CO -0.29 0.32 -1.96 0.66 -2.27 0.00 0.00 179.45 175.91 2cnp n TYR 19 N -4.62 0.00 -0.09 1.91 4.02 -0.02 -4.50 117.16 113.86 2cnp n TYR 19 Ca 0.23 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.28 2cnp n TYR 19 Cb 0.74 -0.78 0.57 0.00 -0.02 0.00 0.00 39.34 39.84 2cnp n TYR 19 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2cnp h SER 20 N -0.94 0.24 -1.32 7.72 0.02 -0.76 -0.39 113.55 118.13 2cnp h SER 20 Ca -0.44 0.01 0.40 0.00 -0.84 0.00 0.00 61.79 60.92 2cnp h SER 20 Cb 1.37 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 63.77 2cnp h SER 20 CO -0.27 0.13 0.89 1.23 -1.14 0.00 0.00 176.83 177.67 2cnp h GLY 21 N 0.26 0.86 -3.29 -3.77 0.00 -0.82 0.63 103.07 96.94 2cnp h GLY 21 Ca 0.31 -0.10 -0.38 0.00 0.00 0.00 0.00 47.33 47.16 2cnp h GLY 21 CO -0.07 -0.21 0.38 0.58 0.00 0.00 0.00 176.54 177.22 2cnp n LYS 22 N -4.48 2.19 -4.29 4.80 2.85 -0.15 -4.91 118.16 114.16 2cnp n LYS 22 Ca 0.33 -3.08 -0.30 0.00 -1.05 0.00 0.00 58.31 54.22 2cnp n LYS 22 Cb 1.35 -2.06 -0.11 0.00 -0.65 0.00 0.00 35.03 33.57 2cnp n LYS 22 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2cnp s GLU 23 N -3.26 1.89 0.05 -1.58 0.41 0.21 -5.08 118.70 111.34 2cnp s GLU 23 Ca 0.53 -1.13 -0.18 0.00 -0.41 0.00 0.00 54.97 53.78 2cnp s GLU 23 Cb 0.45 -2.17 -0.08 0.00 -1.78 0.00 0.00 34.13 30.55 2cnp s GLU 23 CO 0.07 0.49 1.28 0.78 -0.49 0.00 0.00 175.26 177.39 2cnp h GLY 24 N 3.72 -1.04 -7.41 -1.39 0.00 -1.91 -2.93 103.07 92.11 2cnp h GLY 24 Ca -0.50 0.49 -0.63 0.00 0.00 0.00 0.00 47.33 46.69 2cnp h GLY 24 CO 0.48 -0.33 1.78 -0.35 0.00 0.00 0.00 176.54 178.11 2cnp s ASP 25 N -3.38 6.62 0.10 0.19 2.15 -1.26 -4.84 116.67 116.25 2cnp s ASP 25 Ca -0.09 -1.84 0.06 0.00 0.43 0.00 0.00 52.55 51.10 2cnp s ASP 25 Cb 0.02 -2.57 0.30 0.00 -0.30 0.00 0.00 42.92 40.37 2cnp s ASP 25 CO 0.30 -1.39 1.11 0.29 -0.17 0.00 0.00 175.17 175.31 2cnp n LYS 26 N 8.69 0.04 0.00 4.34 5.02 -1.11 -0.34 118.16 134.80 2cnp n LYS 26 Ca 0.39 0.48 0.14 0.00 -2.02 0.00 0.00 58.31 57.31 2cnp n LYS 26 Cb 0.49 -1.70 0.74 0.00 -0.02 0.00 0.00 35.03 34.54 2cnp n LYS 26 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2cnp n HIS 27 N -1.65 0.00 -4.31 2.13 8.25 -1.26 -4.38 115.22 114.00 2cnp n HIS 27 Ca -0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2cnp n HIS 27 Cb 0.09 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 2cnp n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2cnp s THR 28 N -2.51 0.66 0.12 1.59 -4.23 0.54 -3.29 115.64 108.53 2cnp s THR 28 Ca 0.29 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.62 2cnp s THR 28 Cb 0.19 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.58 2cnp s THR 28 CO 0.43 -0.15 0.44 -1.48 -0.54 0.00 0.00 174.62 173.32 2cnp s LEU 29 N -3.29 0.21 0.37 4.79 0.05 0.04 -4.68 118.68 116.18 2cnp s LEU 29 Ca 0.34 -0.20 0.07 0.00 0.05 0.00 0.00 54.13 54.39 2cnp s LEU 29 Cb 0.07 1.97 -0.01 0.00 -2.05 0.00 0.00 46.19 46.17 2cnp s LEU 29 CO 0.11 -0.84 0.41 -0.94 -0.55 0.00 0.00 176.35 174.54 2cnp s SER 30 N -2.65 5.50 0.19 1.48 1.04 -1.26 0.16 113.70 118.16 2cnp s SER 30 Ca 0.01 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 2cnp s SER 30 Cb 0.01 -0.90 0.37 0.00 0.10 0.00 0.00 66.02 65.61 2cnp s SER 30 CO -0.10 -0.52 1.01 2.29 0.98 0.00 0.00 173.24 176.90 2cnp n LYS 31 N -1.58 -0.06 0.15 4.02 2.85 -1.26 -0.47 118.16 121.81 2cnp n LYS 31 Ca 0.02 1.00 -0.14 0.00 -1.05 0.00 0.00 58.31 58.13 2cnp n LYS 31 Cb 0.60 -1.52 -0.08 0.00 -0.65 0.00 0.00 35.03 33.37 2cnp n LYS 31 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2cnp h LYS 32 N 0.00 -0.29 -0.60 -1.58 3.11 -1.98 0.10 116.57 115.34 2cnp h LYS 32 Ca 0.34 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.19 2cnp h LYS 32 Cb 0.60 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.87 2cnp h LYS 32 CO -0.65 -0.19 0.33 0.93 -2.81 0.00 0.00 179.45 177.06 2cnp h GLU 33 N -0.31 0.82 -0.01 1.90 4.39 -1.16 -0.28 114.58 119.93 2cnp h GLU 33 Ca -0.03 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2cnp h GLU 33 Cb 0.24 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2cnp h GLU 33 CO 0.05 0.60 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.43 2cnp h LEU 34 N 0.83 0.01 -1.01 1.33 3.38 -0.51 0.22 115.31 119.56 2cnp h LEU 34 Ca 0.21 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2cnp h LEU 34 Cb 0.01 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2cnp h LEU 34 CO -0.04 0.41 0.60 0.11 0.09 0.00 0.00 178.44 179.61 2cnp h LYS 35 N -0.39 1.27 0.43 1.13 1.57 -0.66 -0.20 116.57 119.73 2cnp h LYS 35 Ca 0.00 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2cnp h LYS 35 Cb 0.40 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2cnp h LYS 35 CO 0.00 0.87 -0.31 0.93 -0.57 0.00 0.00 179.45 180.37 2cnp h GLU 36 N 1.30 -0.67 -0.97 3.15 5.08 -1.00 -2.39 114.58 119.09 2cnp h GLU 36 Ca 0.34 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.85 2cnp h GLU 36 Cb -0.10 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.18 2cnp h GLU 36 CO -0.07 -0.45 -0.53 1.28 -1.00 0.00 0.00 179.01 178.24 2cnp n LEU 37 N -4.24 -0.94 0.08 1.33 4.77 0.76 0.05 117.00 118.80 2cnp n LEU 37 Ca -0.08 1.73 -0.12 0.00 -0.03 0.00 0.00 56.01 57.50 2cnp n LEU 37 Cb 0.30 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 2cnp n LEU 37 CO 0.19 -1.44 0.81 -0.29 -1.33 0.00 0.00 177.39 175.34 2cnp h ILE 38 N 0.00 0.80 -0.81 -0.08 2.10 -1.10 0.16 117.51 118.58 2cnp h ILE 38 Ca 0.20 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.16 2cnp h ILE 38 Cb 0.44 0.80 -0.05 0.00 -1.09 0.00 0.00 36.82 36.93 2cnp h ILE 38 CO -0.93 0.00 0.53 -0.61 -1.08 0.00 0.00 178.15 176.06 2cnp h GLN 39 N -0.17 1.02 0.01 2.19 4.15 -0.59 0.16 115.11 121.87 2cnp h GLN 39 Ca 0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2cnp h GLN 39 Cb 0.18 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.64 2cnp h GLN 39 CO -0.04 0.68 -0.06 0.87 -1.93 0.00 0.00 178.83 178.35 2cnp h LYS 40 N 1.05 0.03 0.00 1.69 1.79 -0.10 -3.31 116.57 117.73 2cnp h LYS 40 Ca 0.31 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 58.62 2cnp h LYS 40 Cb -0.05 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2cnp h LYS 40 CO -0.09 0.91 -2.00 0.39 -1.08 0.00 0.00 179.45 177.58 2cnp n GLU 41 N -4.62 0.80 -2.82 3.15 -0.58 0.54 -4.30 120.64 112.81 2cnp n GLU 41 Ca -0.10 -0.11 -0.34 0.00 -0.42 0.00 0.00 57.16 56.20 2cnp n GLU 41 Cb 0.45 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 2cnp n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2cnp n LEU 42 N -2.35 5.79 -0.03 -4.62 4.77 0.55 -4.89 117.00 116.21 2cnp n LEU 42 Ca -0.14 -5.54 -0.09 0.00 -0.03 0.00 0.00 56.01 50.21 2cnp n LEU 42 Cb 0.72 -0.85 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2cnp n LEU 42 CO 0.39 2.20 0.66 0.71 -1.33 0.00 0.00 177.39 180.02 2cnp h THR 43 N 2.66 0.32 0.00 -5.08 1.35 -1.65 -3.41 112.91 107.10 2cnp h THR 43 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 2cnp h THR 43 Cb 0.43 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2cnp h THR 43 CO 0.99 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 175.88 2cnp n ILE 44 N -5.40 0.00 0.00 6.82 5.41 -1.26 -4.81 119.36 120.12 2cnp n ILE 44 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2cnp n ILE 44 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 2cnp n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cnp n GLY 45 N 0.00 1.33 3.38 7.39 0.00 -1.26 -4.66 105.19 111.37 2cnp n GLY 45 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2cnp n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cnp n SER 46 N 2.85 2.47 -4.51 1.61 7.64 -1.26 -4.88 113.62 117.54 2cnp n SER 46 Ca 0.00 -2.65 -0.28 0.00 1.01 0.00 0.00 58.87 56.95 2cnp n SER 46 Cb 0.00 -1.35 -0.17 0.00 -1.01 0.00 0.00 64.21 61.68 2cnp n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2cnp n LYS 47 N 7.72 0.16 0.01 1.43 4.76 -1.26 -4.81 118.16 126.16 2cnp n LYS 47 Ca 0.47 -0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.65 2cnp n LYS 47 Cb 0.44 -1.70 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 2cnp n LYS 47 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2cnp h LEU 48 N 13.52 -1.55 -7.00 -0.35 3.38 -1.95 -3.46 115.31 117.91 2cnp h LEU 48 Ca -0.01 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2cnp h LEU 48 Cb 1.18 0.61 -0.16 0.00 0.09 0.00 0.00 40.66 42.37 2cnp h LEU 48 CO 1.44 -0.47 0.45 -1.58 0.09 0.00 0.00 178.44 178.36 2cnp s GLN 49 N -5.79 0.86 0.16 1.13 -0.44 -1.26 -5.07 119.66 109.25 2cnp s GLN 49 Ca -0.16 -0.21 0.01 0.00 -2.50 0.00 0.00 55.36 52.50 2cnp s GLN 49 Cb 0.08 0.40 0.39 0.00 -1.64 0.00 0.00 33.01 32.24 2cnp s GLN 49 CO 0.62 -0.35 0.80 -0.25 0.50 0.00 0.00 175.29 176.61 2cnp n ASP 50 N -0.03 -0.06 -0.18 6.67 9.92 -1.26 -1.96 116.55 129.65 2cnp n ASP 50 Ca -0.11 0.87 -0.01 0.00 -0.53 0.00 0.00 54.79 55.01 2cnp n ASP 50 Cb 0.61 -0.32 0.01 0.00 -0.64 0.00 0.00 41.12 40.79 2cnp n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cnp n ALA 51 N -3.41 -0.09 -0.13 2.24 0.00 -1.26 -0.19 120.51 117.67 2cnp n ALA 51 Ca 0.12 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 2cnp n ALA 51 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 2cnp n ALA 51 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cnp h GLU 52 N 0.00 0.73 0.05 0.00 4.81 -1.71 0.40 114.58 118.86 2cnp h GLU 52 Ca 0.15 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2cnp h GLU 52 Cb 0.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2cnp h GLU 52 CO -0.46 0.87 -0.03 0.82 -0.73 0.00 0.00 179.01 179.49 2cnp h ILE 53 N 0.54 1.02 0.15 2.32 5.03 -0.76 -1.68 117.51 124.14 2cnp h ILE 53 Ca 0.10 -0.25 0.02 0.00 -0.12 0.00 0.00 64.86 64.60 2cnp h ILE 53 Cb 0.59 1.19 -0.04 0.00 -3.03 0.00 0.00 36.82 35.54 2cnp h ILE 53 CO 0.04 0.06 -0.35 0.58 -0.68 0.00 0.00 178.15 177.80 2cnp h VAL 54 N -0.18 0.26 -0.67 1.67 2.07 -0.71 -2.85 116.25 115.84 2cnp h VAL 54 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 2cnp h VAL 54 Cb 0.16 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.07 2cnp h VAL 54 CO 0.01 0.00 -0.28 0.11 0.02 0.00 0.00 177.57 177.43 2cnp h LYS 55 N -0.60 -0.09 -0.89 1.57 6.56 -0.62 0.43 116.57 122.93 2cnp h LYS 55 Ca 0.02 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.80 2cnp h LYS 55 Cb 0.62 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.19 2cnp h LYS 55 CO -0.19 -0.06 0.44 -0.07 -2.06 0.00 0.00 179.45 177.51 2cnp h LEU 56 N -0.09 0.46 0.00 2.94 3.38 -1.08 0.12 115.31 121.04 2cnp h LEU 56 Ca 0.29 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2cnp h LEU 56 Cb 0.55 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2cnp h LEU 56 CO -0.73 0.12 -0.03 0.24 0.09 0.00 0.00 178.44 178.13 2cnp h MET 57 N 0.53 0.00 -1.22 1.13 2.86 -0.99 -3.39 114.93 113.85 2cnp h MET 57 Ca 0.52 0.00 0.45 0.00 -2.06 0.00 0.00 59.70 58.61 2cnp h MET 57 Cb 0.88 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.39 2cnp h MET 57 CO -0.44 0.00 0.74 0.22 1.06 0.00 0.00 176.91 178.49 2cnp h ASP 58 N -0.39 0.26 -0.92 1.22 3.58 -0.16 0.58 116.42 120.58 2cnp h ASP 58 Ca 0.00 0.20 0.15 0.00 0.42 0.00 0.00 57.03 57.80 2cnp h ASP 58 Cb 0.03 0.20 -0.15 0.00 1.72 0.00 0.00 39.33 41.13 2cnp h ASP 58 CO 0.00 -0.33 -0.34 -0.67 -2.88 0.00 0.00 179.24 175.03 2cnp n ASP 59 N -4.95 -0.55 -0.19 2.28 2.03 0.02 -0.60 116.55 114.59 2cnp n ASP 59 Ca 0.39 1.61 0.00 0.00 0.52 0.00 0.00 54.79 57.31 2cnp n ASP 59 Cb 1.44 -0.39 0.25 0.00 -0.72 0.00 0.00 41.12 41.70 2cnp n ASP 59 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2cnp h LEU 60 N 0.00 0.82 0.05 -2.67 8.10 -1.12 -0.27 115.31 120.22 2cnp h LEU 60 Ca 0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 58.29 2cnp h LEU 60 Cb 0.57 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 2cnp h LEU 60 CO -0.92 0.62 -0.02 0.44 -4.11 0.00 0.00 178.44 174.44 2cnp h ASP 61 N 0.95 -0.06 0.09 0.17 3.32 -0.99 0.18 116.42 120.08 2cnp h ASP 61 Ca 0.25 -0.58 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 2cnp h ASP 61 Cb -0.06 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2cnp h ASP 61 CO -0.05 0.60 -0.18 0.08 -1.72 0.00 0.00 179.24 177.97 2cnp h ARG 62 N -0.76 0.17 0.07 3.56 -0.00 -0.75 -3.10 114.38 113.57 2cnp h ARG 62 Ca -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 59.93 2cnp h ARG 62 Cb 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.58 2cnp h ARG 62 CO 0.01 0.35 -0.03 -0.91 -0.00 0.00 0.00 179.97 179.39 2cnp h ASN 63 N 0.16 -0.08 0.00 0.08 2.35 -1.09 -3.45 115.58 113.55 2cnp h ASN 63 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2cnp h ASN 63 Cb 0.41 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2cnp h ASN 63 CO 0.03 0.01 0.00 1.17 -1.65 0.00 0.00 177.43 176.98 2cnp n LYS 64 N -2.61 0.00 0.00 0.81 4.81 0.62 -0.35 118.16 121.44 2cnp n LYS 64 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2cnp n LYS 64 Cb 0.04 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.09 2cnp n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2cnp n ASP 65 N 0.77 1.67 -4.60 3.14 8.00 -1.26 -5.03 116.55 119.23 2cnp n ASP 65 Ca 0.00 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 2cnp n ASP 65 Cb 0.00 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2cnp n ASP 65 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2cnp s GLN 66 N -0.74 3.41 -0.20 -1.24 0.74 0.53 -4.95 119.66 117.20 2cnp s GLN 66 Ca 0.00 1.50 -0.29 0.00 0.05 0.00 0.00 55.36 56.62 2cnp s GLN 66 Cb 0.00 -4.18 -0.03 0.00 1.10 0.00 0.00 33.01 29.90 2cnp s GLN 66 CO 0.00 -1.77 1.69 -1.21 -0.55 0.00 0.00 175.29 173.45 2cnp s GLU 67 N 5.52 3.76 0.20 1.67 8.01 -1.26 -4.67 118.70 131.93 2cnp s GLU 67 Ca 0.80 1.76 -0.30 0.00 0.01 0.00 0.00 54.97 57.23 2cnp s GLU 67 Cb -0.23 -4.07 -0.08 0.00 -4.31 0.00 0.00 34.13 25.43 2cnp s GLU 67 CO 0.33 -1.34 0.98 0.14 0.01 0.00 0.00 175.26 175.38 2cnp s VAL 68 N 5.41 4.12 0.85 2.63 -7.23 0.12 -4.60 120.40 121.70 2cnp s VAL 68 Ca 0.75 1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 62.77 2cnp s VAL 68 Cb -0.27 -4.26 0.11 0.00 0.56 0.00 0.00 36.38 32.52 2cnp s VAL 68 CO 0.31 0.41 1.21 0.54 -0.31 0.00 0.00 175.10 177.26 2cnp s ASN 69 N -0.71 4.14 0.17 4.85 2.20 -1.26 -0.78 114.94 123.55 2cnp s ASN 69 Ca 0.44 0.67 -0.26 0.00 -0.94 0.00 0.00 52.86 52.77 2cnp s ASN 69 Cb -0.26 -1.05 0.04 0.00 -2.00 0.00 0.00 41.25 37.97 2cnp s ASN 69 CO 0.32 -2.13 1.56 0.15 -2.94 0.00 0.00 177.10 174.07 2cnp h PHE 70 N -1.21 -1.36 -0.29 1.54 3.57 -1.95 0.87 116.94 118.11 2cnp h PHE 70 Ca -0.46 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.09 2cnp h PHE 70 Cb 1.31 0.69 -0.02 0.00 2.79 0.00 0.00 35.95 40.72 2cnp h PHE 70 CO -0.04 -0.42 -0.02 0.37 -2.23 0.00 0.00 178.31 175.97 2cnp h GLN 71 N -0.19 0.44 -0.47 1.11 5.75 -1.94 0.91 115.11 120.73 2cnp h GLN 71 Ca 0.19 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 2cnp h GLN 71 Cb 0.55 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 2cnp h GLN 71 CO -0.75 0.48 -0.04 0.93 -2.65 0.00 0.00 178.83 176.81 2cnp h GLU 72 N 0.42 0.86 -0.37 1.69 4.39 -1.48 0.50 114.58 120.59 2cnp h GLU 72 Ca 0.09 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.56 2cnp h GLU 72 Cb 0.31 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 2cnp h GLU 72 CO 0.01 0.92 0.03 -0.92 -1.16 0.00 0.00 179.01 177.89 2cnp h TYR 73 N 0.71 0.04 0.00 4.33 3.20 -0.03 0.14 116.97 125.36 2cnp h TYR 73 Ca 0.13 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2cnp h TYR 73 Cb 0.56 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2cnp h TYR 73 CO 0.04 -0.03 -0.12 0.82 -1.64 0.00 0.00 178.16 177.23 2cnp h ILE 74 N 0.14 1.06 -0.31 1.81 1.08 -0.40 -0.51 117.51 120.39 2cnp h ILE 74 Ca 0.18 -0.42 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2cnp h ILE 74 Cb 0.23 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2cnp h ILE 74 CO -0.27 0.12 -0.14 0.74 -0.69 0.00 0.00 178.15 177.91 2cnp h THR 75 N 0.00 1.29 0.48 -0.27 2.02 0.13 0.31 112.91 116.88 2cnp h THR 75 Ca -0.00 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2cnp h THR 75 Cb 0.22 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2cnp h THR 75 CO 0.02 0.40 -0.42 0.15 0.37 0.00 0.00 175.52 176.03 2cnp h PHE 76 N 0.39 -1.14 -0.51 3.16 3.57 0.12 0.19 116.94 122.73 2cnp h PHE 76 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2cnp h PHE 76 Cb 0.66 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2cnp h PHE 76 CO 0.06 -0.59 0.29 -0.07 -2.23 0.00 0.00 178.31 175.77 2cnp h LEU 77 N -0.90 0.63 -0.42 0.59 3.38 -1.16 -0.49 115.31 116.95 2cnp h LEU 77 Ca -0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2cnp h LEU 77 Cb 0.78 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2cnp h LEU 77 CO -0.03 0.52 0.09 1.23 0.09 0.00 0.00 178.44 180.35 2cnp h GLY 78 N 0.68 0.74 0.81 0.83 0.00 -0.25 0.75 103.07 106.63 2cnp h GLY 78 Ca 0.18 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 2cnp h GLY 78 CO -0.03 0.44 0.02 0.00 0.00 0.00 0.00 176.54 176.97 2cnp h ALA 79 N 0.95 0.19 -0.38 3.60 0.00 -0.53 0.19 119.26 123.28 2cnp h ALA 79 Ca 0.13 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2cnp h ALA 79 Cb 0.33 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 2cnp h ALA 79 CO 0.00 -0.15 -0.45 1.25 0.00 0.00 0.00 179.25 179.90 2cnp h LEU 80 N 0.02 -1.48 -0.36 0.00 5.85 -0.94 0.10 115.31 118.49 2cnp h LEU 80 Ca 0.04 0.22 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2cnp h LEU 80 Cb 0.29 0.64 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 2cnp h LEU 80 CO 0.00 -0.38 -0.05 0.00 -0.34 0.00 0.00 178.44 177.67 2cnp h ALA 81 N 0.32 0.28 -0.01 1.25 0.00 -0.68 -1.62 119.26 118.81 2cnp h ALA 81 Ca 0.12 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2cnp h ALA 81 Cb 0.59 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2cnp h ALA 81 CO -0.56 -0.43 -0.09 1.98 0.00 0.00 0.00 179.25 180.15 2cnp h MET 82 N 0.04 -0.14 0.07 0.00 1.85 0.18 0.19 114.93 117.12 2cnp h MET 82 Ca 0.18 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.27 2cnp h MET 82 Cb 0.26 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2cnp h MET 82 CO -0.34 -0.10 -0.03 0.82 -0.40 0.00 0.00 176.91 176.86 2cnp h ILE 83 N -0.15 0.98 -0.18 1.77 2.04 -0.51 -3.22 117.51 118.24 2cnp h ILE 83 Ca 0.04 -0.15 -0.20 0.00 1.00 0.00 0.00 64.86 65.55 2cnp h ILE 83 Cb 0.19 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2cnp h ILE 83 CO -0.09 0.04 -0.66 0.10 0.00 0.00 0.00 178.15 177.53 2cnp h TYR 84 N -0.16 1.01 -0.39 1.37 -0.00 -1.21 -3.31 116.97 114.27 2cnp h TYR 84 Ca -0.01 -0.42 -0.67 0.00 0.00 0.00 0.00 58.73 57.63 2cnp h TYR 84 Cb 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 36.73 36.64 2cnp h TYR 84 CO -0.05 1.24 2.57 0.09 -0.00 0.00 0.00 178.16 182.01 2cnp n ASN 85 N -4.02 4.20 -0.32 0.10 3.02 0.67 -4.81 115.26 114.10 2cnp n ASN 85 Ca -0.07 -2.86 0.27 0.00 -0.03 0.00 0.00 54.58 51.90 2cnp n ASN 85 Cb 0.69 -1.67 0.51 0.00 -0.61 0.00 0.00 39.78 38.70 2cnp n ASN 85 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2cnp n GLU 86 N 7.27 -0.06 -0.32 3.52 2.13 -1.25 -0.27 120.64 131.66 2cnp n GLU 86 Ca 0.50 1.38 0.14 0.00 0.66 0.00 0.00 57.16 59.84 2cnp n GLU 86 Cb 0.43 -2.40 0.28 0.00 0.27 0.00 0.00 31.44 30.01 2cnp n GLU 86 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cnp n ALA 87 N -2.49 0.48 1.22 4.31 0.00 -1.26 -0.61 120.51 122.16 2cnp n ALA 87 Ca 0.34 0.98 0.04 0.00 0.00 0.00 0.00 53.44 54.80 2cnp n ALA 87 Cb 1.14 -0.73 0.22 0.00 0.00 0.00 0.00 19.45 20.09 2cnp n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cnp n LEU 88 N -5.35 0.00 -0.46 0.00 4.77 0.63 -0.70 117.00 115.90 2cnp n LEU 88 Ca 0.22 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2cnp n LEU 88 Cb 0.72 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.89 2cnp n LEU 88 CO -0.07 0.00 0.48 0.29 -1.33 0.00 0.00 177.39 176.77 2cnp n LYS 89 N -0.69 1.30 0.00 3.23 5.02 0.22 -5.00 118.16 122.24 2cnp n LYS 89 Ca 0.06 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.92 2cnp n LYS 89 Cb 0.03 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2cnp n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29