#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn s ASP 3 N 0.00 6.08 0.00 0.00 1.11 -1.26 -5.05 116.67 117.55 2ctn s ASP 3 Ca 0.00 1.09 0.00 0.00 0.18 0.00 0.00 52.55 53.82 2ctn s ASP 3 Cb 0.00 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.77 2ctn s ASP 3 CO 0.00 -0.82 0.00 2.30 1.18 0.00 0.00 175.17 177.83 2ctn n ILE 4 N -2.55 0.00 0.04 0.77 -5.35 -1.26 -4.92 119.36 106.09 2ctn n ILE 4 Ca 0.04 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.54 2ctn n ILE 4 Cb 0.55 0.00 0.39 0.00 -1.74 0.00 0.00 39.64 38.84 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 2ctn h TYR 5 N 0.00 0.43 -0.50 4.28 0.05 -1.96 -2.74 116.97 116.53 2ctn h TYR 5 Ca 0.00 -0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.86 2ctn h TYR 5 Cb 0.00 -0.14 -0.09 0.00 1.01 0.00 0.00 36.73 37.52 2ctn h TYR 5 CO 0.00 0.38 -0.07 0.87 -1.05 0.00 0.00 178.16 178.29 2ctn h LYS 6 N 0.43 0.05 -0.23 4.88 6.56 -1.94 0.52 116.57 126.84 2ctn h LYS 6 Ca 0.10 -0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.76 2ctn h LYS 6 Cb 0.17 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2ctn h LYS 6 CO -0.00 0.03 0.32 0.00 -2.06 0.00 0.00 179.45 177.73 2ctn h ALA 7 N 1.48 1.81 0.00 3.86 0.00 -1.84 -1.70 119.26 122.86 2ctn h ALA 7 Ca 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ctn h ALA 7 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ctn h ALA 7 CO -0.47 -0.44 -0.02 0.00 0.00 0.00 0.00 179.25 178.32 2ctn h ALA 8 N 1.58 0.00 -0.02 0.00 0.00 -0.06 -3.29 119.26 117.48 2ctn h ALA 8 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ctn h ALA 8 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ctn h ALA 8 CO -0.00 0.02 0.38 0.28 0.00 0.00 0.00 179.25 179.93 2ctn h VAL 9 N -1.00 0.02 0.00 0.00 2.07 -0.96 0.43 116.25 116.81 2ctn h VAL 9 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2ctn h VAL 9 Cb 0.07 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2ctn h VAL 9 CO -0.00 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 177.26 2ctn h GLU 10 N 0.00 0.00 -0.50 1.57 4.22 -1.38 -2.65 114.58 115.84 2ctn h GLU 10 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2ctn h GLU 10 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2ctn h GLU 10 CO -0.00 0.25 0.00 1.04 -2.18 0.00 0.00 179.01 178.12 2ctn n GLN 11 N -3.53 4.20 -2.38 1.92 6.02 0.15 -4.99 117.38 118.77 2ctn n GLN 11 Ca -0.01 -3.02 -0.34 0.00 -0.01 0.00 0.00 57.00 53.62 2ctn n GLN 11 Cb 0.40 -2.08 -0.02 0.00 1.02 0.00 0.00 30.24 29.56 2ctn n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ctn s LEU 12 N -2.61 3.77 0.61 1.08 1.43 -1.00 -5.02 118.68 116.95 2ctn s LEU 12 Ca 0.50 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.45 2ctn s LEU 12 Cb 0.38 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 2ctn s LEU 12 CO 0.15 -0.98 1.05 0.42 0.23 0.00 0.00 176.35 177.22 2ctn s THR 13 N -1.98 4.00 0.64 5.49 -4.23 -1.26 -4.89 115.64 113.41 2ctn s THR 13 Ca 0.69 0.84 0.35 0.00 -1.18 0.00 0.00 61.69 62.39 2ctn s THR 13 Cb -0.19 -3.45 0.38 0.00 1.34 0.00 0.00 72.50 70.58 2ctn s THR 13 CO 0.24 -0.66 2.16 -0.33 -0.54 0.00 0.00 174.62 175.49 2ctn h GLU 14 N 0.12 0.00 -0.03 3.99 5.08 -2.00 -0.03 114.58 121.72 2ctn h GLU 14 Ca -0.46 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.74 2ctn h GLU 14 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ctn h GLU 14 CO 0.58 0.00 -0.73 1.49 -1.00 0.00 0.00 179.01 179.35 2ctn h GLU 15 N 0.00 0.17 -0.11 2.33 4.81 -1.99 -2.08 114.58 117.71 2ctn h GLU 15 Ca 0.03 -0.15 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 2ctn h GLU 15 Cb 0.34 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.76 2ctn h GLU 15 CO -0.00 0.82 -0.61 1.96 -0.73 0.00 0.00 179.01 180.46 2ctn h GLN 16 N 0.11 0.60 0.00 1.92 7.50 -1.35 -2.94 115.11 120.96 2ctn h GLN 16 Ca -0.02 -0.50 -0.06 0.00 0.50 0.00 0.00 58.65 58.56 2ctn h GLN 16 Cb 1.29 0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.92 2ctn h GLN 16 CO 0.11 1.13 -0.29 0.87 -1.50 0.00 0.00 178.83 179.14 2ctn h LYS 17 N 0.24 0.00 -0.20 1.46 1.57 -1.55 -1.75 116.57 116.35 2ctn h LYS 17 Ca -0.05 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 2ctn h LYS 17 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2ctn h LYS 17 CO 0.13 0.29 -0.69 -0.91 -0.57 0.00 0.00 179.45 177.70 2ctn h ASN 18 N 0.00 0.90 1.17 0.86 2.35 -1.35 -1.77 115.58 117.74 2ctn h ASN 18 Ca -0.00 -0.55 -0.14 0.00 -0.55 0.00 0.00 56.30 55.06 2ctn h ASN 18 Cb 0.86 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 2ctn h ASN 18 CO 0.04 1.34 -0.87 -0.33 -1.65 0.00 0.00 177.43 175.95 2ctn h GLU 19 N 0.56 0.00 0.00 0.81 5.08 -1.46 -3.15 114.58 116.42 2ctn h GLU 19 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 19 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ctn h GLU 19 CO 0.14 0.49 -0.01 0.74 -1.00 0.00 0.00 179.01 179.37 2ctn h PHE 20 N 0.00 0.00 -0.61 4.33 0.04 -1.32 -2.11 116.94 117.27 2ctn h PHE 20 Ca -0.06 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.83 2ctn h PHE 20 Cb 1.51 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.54 2ctn h PHE 20 CO 0.00 0.00 -0.12 0.87 -0.60 0.00 0.00 178.31 178.46 2ctn h LYS 21 N -0.33 0.02 0.18 1.51 1.57 -1.52 0.12 116.57 118.12 2ctn h LYS 21 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2ctn h LYS 21 Cb 0.01 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2ctn h LYS 21 CO 0.00 0.01 -0.08 0.00 -0.57 0.00 0.00 179.45 178.81 2ctn h ALA 22 N 1.60 -0.24 0.21 3.86 0.00 -1.70 -2.47 119.26 120.53 2ctn h ALA 22 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2ctn h ALA 22 Cb 0.46 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2ctn h ALA 22 CO -0.61 -0.57 -0.49 0.00 0.00 0.00 0.00 179.25 177.57 2ctn h ALA 23 N 0.45 -0.96 -0.83 0.00 0.00 -0.55 -0.79 119.26 116.58 2ctn h ALA 23 Ca -0.02 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.97 2ctn h ALA 23 Cb 0.28 0.81 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 2ctn h ALA 23 CO 0.04 -1.10 0.03 0.35 0.00 0.00 0.00 179.25 178.57 2ctn h PHE 24 N -0.79 -0.01 0.00 0.00 3.04 -0.79 1.17 116.94 119.56 2ctn h PHE 24 Ca -0.01 0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 2ctn h PHE 24 Cb 0.77 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 2ctn h PHE 24 CO -0.38 -0.28 -0.14 0.22 -2.02 0.00 0.00 178.31 175.70 2ctn h ASP 25 N 0.10 0.00 1.74 0.41 3.58 -0.82 0.65 116.42 122.08 2ctn h ASP 25 Ca 0.47 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.87 2ctn h ASP 25 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2ctn h ASP 25 CO -0.73 0.14 -0.26 0.40 -2.88 0.00 0.00 179.24 175.91 2ctn h ILE 26 N 0.00 0.42 0.00 2.25 2.04 0.27 -3.13 117.51 119.36 2ctn h ILE 26 Ca -0.00 -1.59 -0.19 0.00 1.00 0.00 0.00 64.86 64.07 2ctn h ILE 26 Cb 0.26 2.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 2ctn h ILE 26 CO 0.02 0.24 -2.19 0.49 0.00 0.00 0.00 178.15 176.70 2ctn n PHE 27 N -3.16 0.02 1.69 1.37 3.72 0.04 -4.16 117.46 116.97 2ctn n PHE 27 Ca 0.03 0.01 0.15 0.00 -0.05 0.00 0.00 57.45 57.58 2ctn n PHE 27 Cb 0.63 -0.77 0.72 0.00 -0.94 0.00 0.00 39.48 39.12 2ctn n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ctn n VAL 28 N -2.52 0.00 -0.27 -4.37 0.31 0.22 -3.86 118.33 107.83 2ctn n VAL 28 Ca -0.19 -0.10 0.28 0.00 -0.01 0.00 0.00 64.34 64.31 2ctn n VAL 28 Cb 0.88 -0.05 0.65 0.00 -0.91 0.00 0.00 33.84 34.41 2ctn n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ctn h LEU 29 N 0.97 0.17 -2.34 7.52 3.38 -1.70 -0.98 115.31 122.33 2ctn h LEU 29 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ctn h LEU 29 Cb 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ctn h LEU 29 CO 0.00 0.04 -0.00 0.61 0.09 0.00 0.00 178.44 179.18 2ctn n GLY 30 N -1.64 1.03 3.08 0.83 0.00 -1.25 -5.08 105.19 102.15 2ctn n GLY 30 Ca 0.22 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2ctn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctn n ALA 31 N -0.34 -5.33 -0.02 4.61 0.00 -0.37 -4.87 120.51 114.18 2ctn n ALA 31 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 53.44 51.97 2ctn n ALA 31 Cb 0.33 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 2ctn n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ctn h GLU 32 N -1.28 0.52 -0.56 0.00 5.08 -1.90 -3.39 114.58 113.04 2ctn h GLU 32 Ca -0.43 -0.44 -0.27 0.00 -1.00 0.00 0.00 59.36 57.21 2ctn h GLU 32 Cb 1.38 0.10 -0.36 0.00 0.50 0.00 0.00 28.75 30.36 2ctn h GLU 32 CO 0.26 1.07 -1.03 -0.40 -1.00 0.00 0.00 179.01 177.91 2ctn n ASP 33 N -4.21 1.07 -0.72 1.42 5.75 -1.26 -4.94 116.55 113.66 2ctn n ASP 33 Ca -0.08 -2.29 -0.07 0.00 -0.01 0.00 0.00 54.79 52.34 2ctn n ASP 33 Cb 0.62 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 40.39 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 34 N -0.50 0.28 3.31 6.12 0.00 -1.26 -5.02 105.19 108.12 2ctn n GLY 34 Ca 0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctn s SER 35 N -2.75 0.09 -0.29 1.61 0.01 -1.26 -4.84 113.70 106.28 2ctn s SER 35 Ca 0.00 -1.00 0.02 0.00 1.31 0.00 0.00 55.95 56.29 2ctn s SER 35 Cb 0.00 0.42 0.08 0.00 0.21 0.00 0.00 66.02 66.73 2ctn s SER 35 CO 0.00 -0.88 -0.01 0.27 0.41 0.00 0.00 173.24 173.03 2ctn s ILE 36 N -4.01 1.88 0.89 1.44 -4.36 0.89 -4.08 121.20 113.84 2ctn s ILE 36 Ca 0.21 -1.75 -0.14 0.00 -0.26 0.00 0.00 60.65 58.71 2ctn s ILE 36 Cb 0.04 -2.22 0.14 0.00 1.25 0.00 0.00 42.46 41.67 2ctn s ILE 36 CO 0.02 -0.33 1.23 -0.55 0.24 0.00 0.00 174.94 175.55 2ctn s SER 37 N 1.17 3.75 0.61 4.36 0.15 -1.26 -1.55 113.70 120.94 2ctn s SER 37 Ca 0.01 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.51 2ctn s SER 37 Cb -0.19 -0.90 1.05 0.00 -1.71 0.00 0.00 66.02 64.27 2ctn s SER 37 CO -0.09 -2.36 1.47 0.00 1.20 0.00 0.00 173.24 173.46 2ctn h THR 38 N -1.38 0.10 0.00 6.45 1.03 -1.33 1.89 112.91 119.66 2ctn h THR 38 Ca -0.46 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 65.75 2ctn h THR 38 Cb 1.29 0.20 -0.03 0.00 -1.07 0.00 0.00 68.15 68.54 2ctn h THR 38 CO 0.54 0.00 -1.01 0.50 -0.01 0.00 0.00 175.52 175.53 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 1.63 -1.89 -3.24 116.57 113.07 2ctn h LYS 39 Ca 0.37 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.93 2ctn h LYS 39 Cb 2.30 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.89 2ctn h LYS 39 CO -0.00 0.75 -1.62 -1.91 -3.45 0.00 0.00 179.45 173.21 2ctn n GLU 40 N -3.24 0.63 0.20 1.90 0.00 0.61 -3.98 120.64 116.75 2ctn n GLU 40 Ca -0.03 0.23 0.04 0.00 0.00 0.00 0.00 57.16 57.40 2ctn n GLU 40 Cb 0.90 -1.78 0.40 0.00 0.00 0.00 0.00 31.44 30.96 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ctn h LEU 41 N 0.00 0.00 -0.12 4.31 7.12 -0.64 -3.20 115.31 122.79 2ctn h LEU 41 Ca -0.24 0.00 0.01 0.00 0.13 0.00 0.00 57.88 57.78 2ctn h LEU 41 Cb 1.81 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.92 2ctn h LEU 41 CO 0.06 0.33 -0.12 1.23 -0.13 0.00 0.00 178.44 179.81 2ctn h GLY 42 N 1.09 -1.91 2.00 3.75 0.00 -1.68 2.04 103.07 108.36 2ctn h GLY 42 Ca -0.00 0.89 -0.00 0.00 0.00 0.00 0.00 47.33 48.21 2ctn h GLY 42 CO 0.04 -0.67 -0.00 0.50 0.00 0.00 0.00 176.54 176.41 2ctn h LYS 43 N -0.06 0.00 0.06 4.80 1.57 -1.81 -0.65 116.57 120.48 2ctn h LYS 43 Ca 0.02 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.53 2ctn h LYS 43 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ctn h LYS 43 CO -0.14 0.00 -1.35 0.28 -0.57 0.00 0.00 179.45 177.67 2ctn h VAL 44 N 0.00 1.33 0.06 0.50 2.07 -0.08 -3.16 116.25 116.98 2ctn h VAL 44 Ca -0.00 -3.02 -0.10 0.00 0.82 0.00 0.00 66.70 64.40 2ctn h VAL 44 Cb 0.04 2.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2ctn h VAL 44 CO 0.00 0.82 -0.44 0.24 0.02 0.00 0.00 177.57 178.21 2ctn h MET 45 N 0.03 0.13 0.00 1.57 2.86 0.41 -3.21 114.93 116.73 2ctn h MET 45 Ca -0.16 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2ctn h MET 45 Cb 1.93 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.67 2ctn h MET 45 CO 0.14 1.11 -0.02 -0.09 1.06 0.00 0.00 176.91 179.11 2ctn h ARG 46 N -0.71 0.00 0.00 1.72 2.43 -0.90 -1.08 114.38 115.84 2ctn h ARG 46 Ca -0.09 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 2ctn h ARG 46 Cb 1.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2ctn h ARG 46 CO 0.06 0.02 -0.75 0.00 -1.51 0.00 0.00 179.97 177.79 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.62 -3.16 114.93 110.35 2ctn h MET 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ctn h MET 47 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.68 2ctn h MET 47 CO 0.00 0.75 -0.02 1.28 -0.00 0.00 0.00 176.91 178.92 2ctn n LEU 48 N -3.32 0.62 0.00 -0.10 4.77 -0.49 -4.87 117.00 113.61 2ctn n LEU 48 Ca 0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 2ctn n LEU 48 Cb 0.82 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2ctn n LEU 48 CO 0.44 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2ctn n GLY 49 N 1.36 1.43 3.50 -0.72 0.00 -1.09 -5.11 105.19 104.56 2ctn n GLY 49 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2ctn n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctn s GLN 50 N -0.18 2.53 -0.44 1.61 -0.21 -0.72 -5.01 119.66 117.24 2ctn s GLN 50 Ca 0.00 -0.68 0.09 0.00 0.02 0.00 0.00 55.36 54.79 2ctn s GLN 50 Cb 0.00 -2.41 0.32 0.00 1.00 0.00 0.00 33.01 31.91 2ctn s GLN 50 CO 0.00 0.63 0.73 -1.71 -2.12 0.00 0.00 175.29 172.82 2ctn n ASN 51 N 2.23 1.74 -4.74 5.90 5.15 -1.26 -2.60 115.26 121.68 2ctn n ASN 51 Ca -0.17 -3.12 -0.29 0.00 -0.60 0.00 0.00 54.58 50.39 2ctn n ASN 51 Cb 0.52 -0.62 0.13 0.00 -0.53 0.00 0.00 39.78 39.29 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ctn s PRO 52 N -2.38 1.25 0.73 1.20 0.04 -1.26 -5.05 135.00 129.53 2ctn s PRO 52 Ca 0.41 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 2ctn s PRO 52 Cb 0.28 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 33.07 2ctn s PRO 52 CO -0.09 -2.19 1.05 0.95 0.04 0.00 0.00 177.00 176.75 2ctn s THR 53 N -3.06 2.23 0.00 1.26 -4.23 -1.26 -4.96 115.64 105.62 2ctn s THR 53 Ca 0.63 -0.26 0.26 0.00 -1.18 0.00 0.00 61.69 61.14 2ctn s THR 53 Cb -0.17 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.00 2ctn s THR 53 CO 0.56 0.00 1.81 1.55 -0.54 0.00 0.00 174.62 178.00 2ctn h PRO 54 N -0.70 0.00 0.15 3.99 0.13 -2.00 -2.88 132.00 130.68 2ctn h PRO 54 Ca -0.44 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 2ctn h PRO 54 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.44 2ctn h PRO 54 CO 0.57 0.13 -1.35 1.49 -0.23 0.00 0.00 178.00 178.62 2ctn h GLU 55 N 0.00 0.31 -0.30 0.86 4.81 -2.01 -3.33 114.58 114.92 2ctn h GLU 55 Ca -0.00 -0.54 -0.12 0.00 -0.13 0.00 0.00 59.36 58.57 2ctn h GLU 55 Cb 0.76 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.34 2ctn h GLU 55 CO 0.02 1.24 -0.28 0.93 -0.73 0.00 0.00 179.01 180.18 2ctn h GLU 56 N 0.09 0.72 -0.72 1.92 3.07 -1.93 -1.59 114.58 116.13 2ctn h GLU 56 Ca -0.18 -0.37 0.08 0.00 -0.50 0.00 0.00 59.36 58.39 2ctn h GLU 56 Cb 2.02 0.01 -0.11 0.00 -0.84 0.00 0.00 28.75 29.83 2ctn h GLU 56 CO 0.21 0.99 -0.53 -0.07 -1.40 0.00 0.00 179.01 178.21 2ctn h LEU 57 N 0.47 -1.86 -0.33 1.33 3.38 -1.62 0.90 115.31 117.59 2ctn h LEU 57 Ca 0.05 0.28 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 2ctn h LEU 57 Cb 0.85 0.82 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 2ctn h LEU 57 CO 0.07 -0.31 -0.33 1.56 0.09 0.00 0.00 178.44 179.51 2ctn h GLN 58 N -0.17 0.81 -0.86 1.13 4.20 -1.69 -2.12 115.11 116.40 2ctn h GLN 58 Ca 0.16 -0.43 0.22 0.00 0.06 0.00 0.00 58.65 58.65 2ctn h GLN 58 Cb 0.52 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.17 2ctn h GLN 58 CO -0.78 1.06 0.09 1.49 -0.67 0.00 0.00 178.83 180.02 2ctn h GLU 59 N 0.58 0.11 0.01 1.46 4.81 0.06 0.99 114.58 122.61 2ctn h GLU 59 Ca 0.05 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.02 2ctn h GLU 59 Cb 0.92 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.29 2ctn h GLU 59 CO 0.08 0.07 -1.02 0.52 -0.73 0.00 0.00 179.01 177.94 2ctn h MET 60 N 0.12 0.58 0.69 1.92 2.86 -0.82 -3.22 114.93 117.06 2ctn h MET 60 Ca 0.51 -0.64 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2ctn h MET 60 Cb 0.98 0.18 0.01 0.00 0.06 0.00 0.00 31.60 32.83 2ctn h MET 60 CO -0.73 1.25 -0.33 0.82 1.06 0.00 0.00 176.91 178.98 2ctn h ILE 61 N 0.32 0.16 -1.66 -1.22 2.04 0.22 -0.65 117.51 116.72 2ctn h ILE 61 Ca -0.11 -0.25 0.48 0.00 1.00 0.00 0.00 64.86 65.98 2ctn h ILE 61 Cb 1.67 0.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 2ctn h ILE 61 CO 0.19 0.02 1.19 -0.78 0.00 0.00 0.00 178.15 178.77 2ctn h ASP 62 N -1.15 0.01 0.00 1.72 3.58 0.69 1.76 116.42 123.04 2ctn h ASP 62 Ca -0.10 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2ctn h ASP 62 Cb 0.74 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2ctn h ASP 62 CO 0.16 -0.01 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.14 2ctn h GLU 63 N 0.01 0.00 -0.90 0.28 5.08 -1.46 -3.38 114.58 114.20 2ctn h GLU 63 Ca 0.80 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.14 2ctn h GLU 63 Cb 3.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 32.38 2ctn h GLU 63 CO -0.03 0.00 0.51 -0.39 -1.00 0.00 0.00 179.01 178.10 2ctn h VAL 64 N -0.36 1.26 -2.87 3.13 -1.51 -0.35 -3.41 116.25 112.14 2ctn h VAL 64 Ca 0.00 -0.62 -0.53 0.00 -1.23 0.00 0.00 66.70 64.32 2ctn h VAL 64 Cb 0.04 0.02 0.02 0.00 -2.13 0.00 0.00 31.29 29.25 2ctn h VAL 64 CO 0.00 0.28 0.85 -0.62 -1.23 0.00 0.00 177.57 176.85 2ctn s ASP 65 N -6.21 6.73 0.00 4.19 -1.08 0.59 -4.88 116.67 116.01 2ctn s ASP 65 Ca -0.13 2.38 0.15 0.00 -0.52 0.00 0.00 52.55 54.43 2ctn s ASP 65 Cb 0.17 -2.58 0.10 0.00 -1.46 0.00 0.00 42.92 39.15 2ctn s ASP 65 CO 0.83 -0.76 0.94 -1.84 0.52 0.00 0.00 175.17 174.86 2ctn n GLU 66 N 4.66 1.14 -0.01 4.34 0.28 -1.26 -4.42 120.64 125.38 2ctn n GLU 66 Ca 0.13 -1.29 0.09 0.00 -0.16 0.00 0.00 57.16 55.93 2ctn n GLU 66 Cb 0.41 -1.27 -0.14 0.00 1.43 0.00 0.00 31.44 31.87 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ctn n ASP 67 N 0.69 0.94 -2.35 -1.84 5.68 -1.26 -5.02 116.55 113.39 2ctn n ASP 67 Ca 0.08 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.29 2ctn n ASP 67 Cb 0.36 1.80 0.04 0.00 -1.14 0.00 0.00 41.12 42.17 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 68 N 1.50 -0.09 0.00 6.12 0.00 -1.26 -4.97 105.19 106.49 2ctn n GLY 68 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ctn n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 69 N -2.29 3.11 0.00 1.61 3.41 -1.26 -5.00 113.62 113.19 2ctn n SER 69 Ca -0.07 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2ctn n SER 69 Cb 0.57 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 2ctn n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctn n GLY 70 N 1.72 0.53 3.85 5.00 0.00 -1.26 -4.98 105.19 110.04 2ctn n GLY 70 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ctn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctn s THR 71 N -2.19 5.31 -0.09 2.61 -4.23 -1.26 -0.80 115.64 114.98 2ctn s THR 71 Ca 0.00 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.59 2ctn s THR 71 Cb 0.00 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.52 2ctn s THR 71 CO 0.00 0.56 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.84 2ctn s VAL 72 N -1.06 1.16 0.00 2.29 1.01 -0.59 -4.84 120.40 118.36 2ctn s VAL 72 Ca 0.17 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2ctn s VAL 72 Cb -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2ctn s VAL 72 CO 0.06 0.37 0.00 -0.90 0.00 0.00 0.00 175.10 174.64 2ctn n ASP 73 N 4.34 0.56 0.26 3.32 5.68 -1.26 -0.08 116.55 129.37 2ctn n ASP 73 Ca -0.18 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.29 2ctn n ASP 73 Cb 0.51 0.00 0.89 0.00 -1.14 0.00 0.00 41.12 41.38 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2ctn h PHE 74 N 0.00 0.00 0.00 2.11 3.57 -1.99 -0.14 116.94 120.49 2ctn h PHE 74 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 74 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ctn h PHE 74 CO 0.00 0.00 -0.08 0.22 -2.23 0.00 0.00 178.31 176.22 2ctn h ASP 75 N 0.00 0.00 -1.00 0.41 1.82 -1.99 -3.21 116.42 112.44 2ctn h ASP 75 Ca 0.06 0.00 0.29 0.00 -0.39 0.00 0.00 57.03 56.99 2ctn h ASP 75 Cb 0.51 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.48 2ctn h ASP 75 CO -0.00 0.14 0.80 -0.33 -1.61 0.00 0.00 179.24 178.24 2ctn h GLU 76 N -0.19 0.00 0.31 0.28 5.08 -1.89 -1.23 114.58 116.95 2ctn h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ctn h GLU 76 CO 0.00 0.00 -0.15 0.35 -1.00 0.00 0.00 179.01 178.21 2ctn h PHE 77 N 0.00 -0.39 0.00 4.33 3.57 -1.18 -0.61 116.94 122.67 2ctn h PHE 77 Ca 0.48 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2ctn h PHE 77 Cb 2.08 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.95 2ctn h PHE 77 CO 0.00 -0.24 0.17 -0.07 -2.23 0.00 0.00 178.31 175.94 2ctn h LEU 78 N -0.67 0.00 0.00 0.59 3.38 -1.36 0.21 115.31 117.46 2ctn h LEU 78 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2ctn h LEU 78 Cb 0.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2ctn h LEU 78 CO 0.07 0.00 -1.35 0.58 0.09 0.00 0.00 178.44 177.83 2ctn h VAL 79 N 0.00 0.58 0.00 1.22 2.07 -1.13 -3.27 116.25 115.73 2ctn h VAL 79 Ca 0.00 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.42 2ctn h VAL 79 Cb 0.34 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2ctn h VAL 79 CO 0.00 0.33 0.00 0.80 0.02 0.00 0.00 177.57 178.72 2ctn n MET 80 N -2.94 0.13 -0.01 1.57 1.56 0.74 -2.96 117.12 115.21 2ctn n MET 80 Ca -0.09 0.07 0.08 0.00 -0.27 0.00 0.00 57.70 57.49 2ctn n MET 80 Cb 0.85 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.58 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 2ctn n MET 81 N -1.42 0.60 -0.13 2.12 2.81 -1.16 -3.91 117.12 116.03 2ctn n MET 81 Ca 0.08 -0.16 -0.07 0.00 -1.81 0.00 0.00 57.70 55.74 2ctn n MET 81 Cb 0.25 -1.43 0.09 0.00 -0.71 0.00 0.00 33.22 31.42 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn h VAL 82 N 0.00 1.26 0.00 2.03 2.07 -1.58 -0.04 116.25 119.99 2ctn h VAL 82 Ca -0.03 -1.17 -0.14 0.00 0.82 0.00 0.00 66.70 66.18 2ctn h VAL 82 Cb 0.92 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2ctn h VAL 82 CO 0.00 0.41 -0.69 0.03 0.02 0.00 0.00 177.57 177.34 2ctn h ARG 83 N 0.80 0.00 0.00 1.57 3.08 -1.76 -0.00 114.38 118.06 2ctn h ARG 83 Ca 0.14 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.93 2ctn h ARG 83 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.66 2ctn h ARG 83 CO 0.04 0.69 -1.02 1.03 -1.07 0.00 0.00 179.97 179.64 2ctn h SER 84 N 0.00 0.89 0.03 7.04 0.87 -1.60 -3.36 113.55 117.42 2ctn h SER 84 Ca -0.01 -0.74 -0.16 0.00 -1.23 0.00 0.00 61.79 59.66 2ctn h SER 84 Cb 1.52 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2ctn h SER 84 CO 0.09 1.52 -0.83 0.24 -0.53 0.00 0.00 176.83 177.32 2ctn h MET 85 N 0.36 0.06 -3.44 2.24 2.86 -1.08 -3.50 114.93 112.43 2ctn h MET 85 Ca -0.13 -0.10 0.35 0.00 -2.06 0.00 0.00 59.70 57.76 2ctn h MET 85 Cb 1.67 0.04 -0.17 0.00 0.06 0.00 0.00 31.60 33.20 2ctn h MET 85 CO 0.20 1.05 -1.12 1.17 1.06 0.00 0.00 176.91 179.27 2ctn n LYS 86 N -4.38 -3.20 -0.05 1.72 4.81 -0.02 -4.18 118.16 112.86 2ctn n LYS 86 Ca -0.22 2.54 -0.01 0.00 -0.87 0.00 0.00 58.31 59.75 2ctn n LYS 86 Cb 0.66 -3.79 -0.00 0.00 0.02 0.00 0.00 35.03 31.91 2ctn n LYS 86 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2ctn h ASP 87 N -1.43 0.00 1.80 3.14 1.82 -1.96 -3.37 116.42 116.42 2ctn h ASP 87 Ca -0.16 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 2ctn h ASP 87 Cb 1.37 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.37 2ctn h ASP 87 CO 0.07 0.51 -0.20 0.44 -1.61 0.00 0.00 179.24 178.44 2ctn h ASP 88 N -0.96 0.00 0.00 2.28 3.32 -2.01 -3.56 116.42 115.49 2ctn h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ctn h ASP 88 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ctn h ASP 88 CO 0.00 0.09 0.00 -1.54 -1.72 0.00 0.00 179.24 176.07