#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn n ASP 3 N 0.00 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 116.13 2ctn n ASP 3 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2ctn n ASP 3 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 2ctn n ILE 4 N 0.00 0.00 0.00 2.12 5.41 -1.26 -3.25 119.36 122.38 2ctn n ILE 4 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.54 2ctn n ILE 4 Cb 0.00 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.79 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2ctn h TYR 5 N 0.00 0.42 -0.84 1.39 0.05 -1.97 -3.36 116.97 112.65 2ctn h TYR 5 Ca 0.00 -0.30 0.21 0.00 0.05 0.00 0.00 58.73 58.68 2ctn h TYR 5 Cb 0.00 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 37.57 2ctn h TYR 5 CO 0.00 1.56 0.03 0.87 -1.05 0.00 0.00 178.16 179.57 2ctn h LYS 6 N -0.32 0.09 -0.22 4.88 6.56 -1.87 1.47 116.57 127.16 2ctn h LYS 6 Ca -0.31 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.33 2ctn h LYS 6 Cb 1.75 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.38 2ctn h LYS 6 CO 0.04 0.06 0.19 0.00 -2.06 0.00 0.00 179.45 177.68 2ctn h ALA 7 N 1.80 2.00 0.08 3.86 0.00 -1.85 -1.36 119.26 123.80 2ctn h ALA 7 Ca 0.48 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 2ctn h ALA 7 Cb 0.91 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ctn h ALA 7 CO -0.75 -0.30 -0.67 0.00 0.00 0.00 0.00 179.25 177.53 2ctn h ALA 8 N 1.82 -0.00 -0.54 0.00 0.00 0.18 -3.27 119.26 117.45 2ctn h ALA 8 Ca 0.10 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2ctn h ALA 8 Cb 0.48 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2ctn h ALA 8 CO -0.00 0.34 0.36 0.28 0.00 0.00 0.00 179.25 180.23 2ctn h VAL 9 N -0.60 1.05 0.00 0.00 2.07 -0.61 0.50 116.25 118.66 2ctn h VAL 9 Ca -0.13 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2ctn h VAL 9 Cb 1.44 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2ctn h VAL 9 CO 0.07 0.11 -0.04 -0.33 0.02 0.00 0.00 177.57 177.40 2ctn h GLU 10 N 0.60 0.00 -0.62 1.57 4.39 -1.36 -1.76 114.58 117.40 2ctn h GLU 10 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2ctn h GLU 10 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2ctn h GLU 10 CO -0.06 0.04 0.00 1.04 -1.16 0.00 0.00 179.01 178.87 2ctn n GLN 11 N -3.20 3.00 -1.07 2.33 3.00 0.16 -4.96 117.38 116.65 2ctn n GLN 11 Ca -0.01 -2.30 -0.29 0.00 -0.01 0.00 0.00 57.00 54.40 2ctn n GLN 11 Cb 0.24 -1.69 0.21 0.00 0.00 0.00 0.00 30.24 29.00 2ctn n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2ctn s LEU 12 N -1.43 1.15 0.03 1.08 1.43 -0.66 -5.03 118.68 115.25 2ctn s LEU 12 Ca 0.42 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.54 2ctn s LEU 12 Cb 0.25 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2ctn s LEU 12 CO 0.22 -3.60 0.16 0.42 0.23 0.00 0.00 176.35 173.78 2ctn s THR 13 N -2.92 5.19 0.56 5.49 -4.23 -1.26 -4.92 115.64 113.55 2ctn s THR 13 Ca 0.67 -0.37 0.41 0.00 -1.18 0.00 0.00 61.69 61.22 2ctn s THR 13 Cb -0.17 -3.47 0.60 0.00 1.34 0.00 0.00 72.50 70.81 2ctn s THR 13 CO 0.58 0.23 1.68 -0.08 -0.54 0.00 0.00 174.62 176.49 2ctn h GLU 14 N 3.50 0.00 0.00 3.99 4.81 -1.99 2.12 114.58 127.00 2ctn h GLU 14 Ca -0.47 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2ctn h GLU 14 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2ctn h GLU 14 CO 0.70 0.00 -0.23 0.93 -0.73 0.00 0.00 179.01 179.69 2ctn h GLU 15 N 0.00 0.00 0.11 1.92 3.07 -1.98 -2.27 114.58 115.43 2ctn h GLU 15 Ca 0.68 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.27 2ctn h GLU 15 Cb 2.83 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.74 2ctn h GLU 15 CO -0.01 0.23 -1.37 1.96 -1.40 0.00 0.00 179.01 178.41 2ctn h GLN 16 N 0.00 0.23 -0.04 2.33 7.50 0.31 -3.21 115.11 122.23 2ctn h GLN 16 Ca -0.00 -0.40 -0.01 0.00 0.50 0.00 0.00 58.65 58.74 2ctn h GLN 16 Cb 0.99 0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.67 2ctn h GLN 16 CO 0.03 1.19 -0.01 0.87 -1.50 0.00 0.00 178.83 179.41 2ctn h LYS 17 N -0.33 0.08 -0.04 1.46 1.57 -1.41 -2.24 116.57 115.65 2ctn h LYS 17 Ca -0.30 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2ctn h LYS 17 Cb 1.73 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.04 2ctn h LYS 17 CO 0.05 0.45 0.10 -0.91 -0.57 0.00 0.00 179.45 178.57 2ctn h ASN 18 N -0.29 0.00 0.15 0.86 2.35 -1.58 -0.91 115.58 116.15 2ctn h ASN 18 Ca 0.01 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 2ctn h ASN 18 Cb 0.42 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.81 2ctn h ASN 18 CO 0.00 0.00 -1.05 -0.08 -1.65 0.00 0.00 177.43 174.66 2ctn h GLU 19 N 0.00 0.33 0.13 0.81 4.81 -1.48 -3.14 114.58 116.03 2ctn h GLU 19 Ca 0.02 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ctn h GLU 19 Cb 0.22 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ctn h GLU 19 CO -0.00 1.27 -0.06 0.74 -0.73 0.00 0.00 179.01 180.23 2ctn h PHE 20 N -0.28 -0.16 -1.57 0.92 0.04 -0.75 -1.07 116.94 114.07 2ctn h PHE 20 Ca -0.19 -0.00 0.47 0.00 2.80 0.00 0.00 57.97 61.04 2ctn h PHE 20 Cb 1.75 0.05 -0.08 0.00 2.20 0.00 0.00 35.95 39.87 2ctn h PHE 20 CO 0.17 -0.10 1.11 0.87 -0.60 0.00 0.00 178.31 179.76 2ctn h LYS 21 N -0.43 0.03 0.08 1.51 1.57 -1.41 0.10 116.57 118.02 2ctn h LYS 21 Ca -0.02 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ctn h LYS 21 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2ctn h LYS 21 CO 0.03 0.02 -0.04 0.00 -0.57 0.00 0.00 179.45 178.89 2ctn h ALA 22 N 1.28 -0.10 -0.77 3.86 0.00 -1.56 -3.15 119.26 118.82 2ctn h ALA 22 Ca 0.79 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.72 2ctn h ALA 22 Cb 2.99 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 20.73 2ctn h ALA 22 CO -0.11 -0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.38 2ctn h ALA 23 N -0.80 1.10 -0.24 0.00 0.00 0.29 -1.20 119.26 118.40 2ctn h ALA 23 Ca -0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2ctn h ALA 23 Cb 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2ctn h ALA 23 CO 0.02 -0.14 -0.13 0.35 0.00 0.00 0.00 179.25 179.34 2ctn h PHE 24 N 0.52 -0.33 0.00 0.00 3.04 -1.00 1.03 116.94 120.21 2ctn h PHE 24 Ca 0.41 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.39 2ctn h PHE 24 Cb 0.57 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.27 2ctn h PHE 24 CO -0.13 -0.20 0.00 0.22 -2.02 0.00 0.00 178.31 176.18 2ctn h ASP 25 N -0.11 0.00 0.33 0.41 1.82 -1.25 -0.65 116.42 116.97 2ctn h ASP 25 Ca 0.13 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.53 2ctn h ASP 25 Cb 0.31 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.28 2ctn h ASP 25 CO -0.31 0.00 -1.88 -0.38 -1.61 0.00 0.00 179.24 175.06 2ctn n ILE 26 N -2.75 1.19 1.14 2.25 5.41 0.33 -4.13 119.36 122.80 2ctn n ILE 26 Ca 0.00 -0.75 0.12 0.00 1.00 0.00 0.00 62.75 63.13 2ctn n ILE 26 Cb 0.22 -0.61 0.20 0.00 -0.71 0.00 0.00 39.64 38.74 2ctn n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2ctn n PHE 27 N -2.79 0.00 1.22 1.39 3.72 0.33 -3.91 117.46 117.42 2ctn n PHE 27 Ca -0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.34 2ctn n PHE 27 Cb 0.96 -0.04 0.30 0.00 -0.94 0.00 0.00 39.48 39.75 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 -0.10 0.00 -0.23 -4.37 0.31 -0.28 -4.18 118.33 109.49 2ctn n VAL 28 Ca 0.12 -0.22 0.26 0.00 -0.01 0.00 0.00 64.34 64.49 2ctn n VAL 28 Cb 0.43 0.72 0.65 0.00 -0.91 0.00 0.00 33.84 34.72 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 2.09 0.16 -0.43 7.52 -0.00 -1.74 0.48 115.31 123.40 2ctn h LEU 29 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2ctn h LEU 29 Cb 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2ctn h LEU 29 CO 0.00 0.05 -0.67 0.61 -0.00 0.00 0.00 178.44 178.44 2ctn n GLY 30 N -1.64 -0.41 3.02 0.83 0.00 -1.26 -4.99 105.19 100.75 2ctn n GLY 30 Ca 0.20 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.82 -0.91 0.00 4.61 0.00 0.17 -4.99 120.51 118.57 2ctn n ALA 31 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2ctn n ALA 31 Cb 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2ctn n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ctn n GLU 32 N -1.30 0.00 -0.57 0.00 2.13 -1.26 -4.76 120.64 114.87 2ctn n GLU 32 Ca 0.04 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.95 2ctn n GLU 32 Cb 0.37 -0.51 0.32 0.00 0.27 0.00 0.00 31.44 31.90 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ctn n ASP 33 N -2.79 4.53 -0.95 4.31 9.92 -1.26 -4.92 116.55 125.38 2ctn n ASP 33 Ca 0.00 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 2ctn n ASP 33 Cb 0.41 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ctn n GLY 34 N 0.70 0.47 3.79 0.44 0.00 -1.26 -5.07 105.19 104.26 2ctn n GLY 34 Ca 0.24 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.85 0.07 -0.40 1.61 0.01 -1.26 -4.77 113.70 106.11 2ctn s SER 35 Ca 0.00 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.11 2ctn s SER 35 Cb 0.00 0.84 0.12 0.00 0.21 0.00 0.00 66.02 67.19 2ctn s SER 35 CO 0.00 -1.67 0.17 -0.63 0.41 0.00 0.00 173.24 171.53 2ctn s ILE 36 N -2.36 1.59 0.71 1.44 1.01 0.19 -4.57 121.20 119.21 2ctn s ILE 36 Ca 0.16 -2.33 -0.11 0.00 0.00 0.00 0.00 60.65 58.37 2ctn s ILE 36 Cb -0.05 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2ctn s ILE 36 CO 0.12 -0.77 1.09 -0.94 0.00 0.00 0.00 174.94 174.43 2ctn s SER 37 N 0.69 5.40 0.19 3.58 1.04 -1.26 -2.30 113.70 121.03 2ctn s SER 37 Ca 0.14 1.23 0.11 0.00 0.48 0.00 0.00 55.95 57.91 2ctn s SER 37 Cb -0.22 -2.06 0.58 0.00 0.10 0.00 0.00 66.02 64.42 2ctn s SER 37 CO -0.08 -1.39 1.27 1.07 0.98 0.00 0.00 173.24 175.10 2ctn n THR 38 N -3.05 1.19 0.07 2.02 5.66 -1.04 0.26 114.28 119.39 2ctn n THR 38 Ca 0.07 0.64 -0.18 0.00 -3.05 0.00 0.00 64.05 61.53 2ctn n THR 38 Cb 0.56 -1.64 -0.14 0.00 -1.55 0.00 0.00 70.33 67.56 2ctn n THR 38 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2ctn h LYS 39 N 0.00 0.29 0.00 1.09 3.11 -1.90 -3.28 116.57 115.88 2ctn h LYS 39 Ca 0.00 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 2ctn h LYS 39 Cb 0.21 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2ctn h LYS 39 CO 0.00 1.18 -1.12 -0.85 -2.81 0.00 0.00 179.45 175.85 2ctn n GLU 40 N -3.50 1.57 0.16 1.90 0.28 -0.13 -4.46 120.64 116.46 2ctn n GLU 40 Ca -0.17 -0.06 0.05 0.00 -0.16 0.00 0.00 57.16 56.82 2ctn n GLU 40 Cb 1.05 -1.17 0.07 0.00 1.43 0.00 0.00 31.44 32.81 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ctn h LEU 41 N 0.00 0.00 -1.10 -1.84 6.46 0.33 -3.30 115.31 115.86 2ctn h LEU 41 Ca 0.00 0.00 0.37 0.00 -0.12 0.00 0.00 57.88 58.13 2ctn h LEU 41 Cb 0.42 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 40.20 2ctn h LEU 41 CO 0.00 0.35 0.63 1.23 -0.62 0.00 0.00 178.44 180.03 2ctn h GLY 42 N 3.65 1.93 1.95 3.75 0.00 -1.71 1.58 103.07 114.21 2ctn h GLY 42 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2ctn h GLY 42 CO 0.05 -0.55 0.00 0.50 0.00 0.00 0.00 176.54 176.54 2ctn h LYS 43 N 0.19 0.07 0.44 4.80 1.57 -1.89 -2.88 116.57 118.88 2ctn h LYS 43 Ca 0.78 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.53 2ctn h LYS 43 Cb 2.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2ctn h LYS 43 CO -0.60 0.08 -0.21 0.28 -0.57 0.00 0.00 179.45 178.43 2ctn h VAL 44 N 0.07 0.47 -0.52 0.50 2.07 0.21 -2.53 116.25 116.52 2ctn h VAL 44 Ca 0.02 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.19 2ctn h VAL 44 Cb 0.05 0.65 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 2ctn h VAL 44 CO 0.00 0.07 -0.26 0.24 0.02 0.00 0.00 177.57 177.64 2ctn h MET 45 N -0.90 -0.13 -0.36 1.57 2.86 -1.45 0.41 114.93 116.94 2ctn h MET 45 Ca -0.06 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2ctn h MET 45 Cb 0.57 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2ctn h MET 45 CO 0.10 -0.09 0.25 -0.09 1.06 0.00 0.00 176.91 178.14 2ctn h ARG 46 N -0.14 0.12 0.00 1.72 2.43 -1.53 -0.66 114.38 116.32 2ctn h ARG 46 Ca 0.23 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.20 2ctn h ARG 46 Cb 0.51 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2ctn h ARG 46 CO -0.60 0.08 -0.95 0.00 -1.51 0.00 0.00 179.97 176.99 2ctn h MET 47 N 0.12 0.00 0.00 0.20 -0.00 0.14 -3.20 114.93 112.19 2ctn h MET 47 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 2ctn h MET 47 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2ctn h MET 47 CO -0.02 0.93 0.00 -0.07 -0.00 0.00 0.00 176.91 177.75 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 0.58 -3.46 115.31 115.70 2ctn h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ctn h LEU 48 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2ctn h LEU 48 CO 0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2ctn n GLY 49 N 0.85 1.31 0.13 0.83 0.00 -0.73 -5.09 105.19 102.49 2ctn n GLY 49 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 2ctn n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctn n GLN 50 N -0.22 1.69 -2.93 1.61 6.02 -0.53 -5.02 117.38 117.99 2ctn n GLN 50 Ca 0.00 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 56.72 2ctn n GLN 50 Cb 0.00 0.02 0.01 0.00 1.02 0.00 0.00 30.24 31.29 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ctn n ASN 51 N -1.55 -1.50 -4.79 1.08 5.15 -1.26 -4.52 115.26 107.86 2ctn n ASN 51 Ca -0.00 -3.12 -0.31 0.00 -0.60 0.00 0.00 54.58 50.54 2ctn n ASN 51 Cb 0.02 0.81 0.06 0.00 -0.53 0.00 0.00 39.78 40.15 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 -0.24 2.69 0.32 1.20 0.04 -1.26 -5.07 135.00 132.68 2ctn s PRO 52 Ca 0.33 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.49 2ctn s PRO 52 Cb 0.23 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 2ctn s PRO 52 CO -0.17 -1.30 0.08 0.95 0.04 0.00 0.00 177.00 176.61 2ctn s THR 53 N -2.88 0.89 0.21 1.26 -4.23 -1.26 -4.96 115.64 104.67 2ctn s THR 53 Ca 0.60 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.41 2ctn s THR 53 Cb -0.16 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.34 2ctn s THR 53 CO 0.53 0.00 1.97 1.55 -0.54 0.00 0.00 174.62 178.13 2ctn h PRO 54 N 2.12 0.00 0.11 3.99 0.13 -1.99 0.32 132.00 136.68 2ctn h PRO 54 Ca -0.39 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.44 2ctn h PRO 54 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.64 0.10 -1.50 1.49 -0.23 0.00 0.00 178.00 178.51 2ctn h GLU 55 N 0.00 0.22 0.05 0.86 4.81 -2.02 -3.40 114.58 115.11 2ctn h GLU 55 Ca -0.00 -0.38 -0.32 0.00 -0.13 0.00 0.00 59.36 58.53 2ctn h GLU 55 Cb 0.53 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 2ctn h GLU 55 CO 0.01 1.08 -1.76 0.39 -0.73 0.00 0.00 179.01 178.00 2ctn n GLU 56 N -3.43 0.65 -0.25 1.92 1.02 -1.13 -3.71 120.64 115.70 2ctn n GLU 56 Ca -0.15 0.39 0.31 0.00 -0.02 0.00 0.00 57.16 57.69 2ctn n GLU 56 Cb 1.04 -1.69 0.50 0.00 -0.02 0.00 0.00 31.44 31.26 2ctn n GLU 56 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2ctn h LEU 57 N -0.51 0.00 0.00 -4.62 -0.00 -1.14 1.85 115.31 110.89 2ctn h LEU 57 Ca -0.43 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.30 2ctn h LEU 57 Cb 1.66 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.30 2ctn h LEU 57 CO -0.11 0.00 -1.94 1.67 -0.00 0.00 0.00 178.44 178.06 2ctn n GLN 58 N -3.36 0.66 0.08 0.17 -0.06 -1.26 -4.20 117.38 109.41 2ctn n GLN 58 Ca 0.25 -0.04 -0.22 0.00 -2.00 0.00 0.00 57.00 54.99 2ctn n GLN 58 Cb 1.54 -1.60 -0.15 0.00 -4.06 0.00 0.00 30.24 25.97 2ctn n GLN 58 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2ctn h GLU 59 N 0.00 0.38 0.24 3.69 4.22 0.27 -2.64 114.58 120.74 2ctn h GLU 59 Ca -0.20 -0.66 0.01 0.00 0.08 0.00 0.00 59.36 58.59 2ctn h GLU 59 Cb 1.50 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.96 2ctn h GLU 59 CO 0.02 1.31 -0.47 0.52 -2.18 0.00 0.00 179.01 178.22 2ctn h MET 60 N -0.17 -0.76 0.00 1.92 2.86 -1.07 -1.03 114.93 116.69 2ctn h MET 60 Ca -0.21 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2ctn h MET 60 Cb 1.86 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.68 2ctn h MET 60 CO 0.19 -0.50 -0.15 0.82 1.06 0.00 0.00 176.91 178.32 2ctn h ILE 61 N -0.78 1.08 -0.99 -1.22 5.03 -1.73 -2.81 117.51 116.08 2ctn h ILE 61 Ca -0.01 -0.53 0.37 0.00 -0.12 0.00 0.00 64.86 64.57 2ctn h ILE 61 Cb 0.76 1.29 -0.18 0.00 -3.03 0.00 0.00 36.82 35.66 2ctn h ILE 61 CO -0.19 0.15 0.41 -0.78 -0.68 0.00 0.00 178.15 177.06 2ctn h ASP 62 N 0.00 0.15 0.34 1.72 1.82 -0.79 2.39 116.42 122.05 2ctn h ASP 62 Ca -0.00 0.25 -0.27 0.00 -0.39 0.00 0.00 57.03 56.63 2ctn h ASP 62 Cb 0.28 0.30 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 2ctn h ASP 62 CO 0.02 -0.37 -1.89 -0.62 -1.61 0.00 0.00 179.24 174.77 2ctn n GLU 63 N -5.29 0.65 0.11 0.28 -0.58 -1.07 -4.10 120.64 110.65 2ctn n GLU 63 Ca 0.33 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.33 2ctn n GLU 63 Cb 1.10 -1.68 0.27 0.00 -0.57 0.00 0.00 31.44 30.56 2ctn n GLU 63 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ctn h VAL 64 N 0.00 0.00 -0.03 2.62 2.07 -0.32 -3.41 116.25 117.18 2ctn h VAL 64 Ca -0.32 -0.61 -0.52 0.00 0.82 0.00 0.00 66.70 66.07 2ctn h VAL 64 Cb 1.91 1.46 0.10 0.00 -1.52 0.00 0.00 31.29 33.24 2ctn h VAL 64 CO 0.05 0.00 1.38 0.47 0.02 0.00 0.00 177.57 179.49 2ctn n ASP 65 N -2.40 1.44 0.20 0.57 8.00 0.77 -4.64 116.55 120.50 2ctn n ASP 65 Ca 0.04 -2.54 0.15 0.00 0.71 0.00 0.00 54.79 53.15 2ctn n ASP 65 Cb 0.46 -0.84 0.57 0.00 -0.02 0.00 0.00 41.12 41.29 2ctn n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2ctn h GLU 66 N 9.77 0.00 -0.00 -1.24 5.08 -1.86 0.29 114.58 126.62 2ctn h GLU 66 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2ctn h GLU 66 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2ctn h GLU 66 CO 1.87 0.00 -0.03 -0.40 -1.00 0.00 0.00 179.01 179.44 2ctn n ASP 67 N -3.05 0.47 -2.77 1.42 5.68 -1.26 -5.05 116.55 112.00 2ctn n ASP 67 Ca 0.04 -0.74 -0.02 0.00 -0.50 0.00 0.00 54.79 53.57 2ctn n ASP 67 Cb 0.74 0.60 0.01 0.00 -1.14 0.00 0.00 41.12 41.33 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 0.64 -0.98 0.07 6.12 0.00 0.10 -4.97 105.19 106.17 2ctn n GLY 68 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.87 0.00 -1.93 1.61 3.41 -1.26 -4.98 113.62 108.59 2ctn n SER 69 Ca -0.01 -1.12 -0.12 0.00 -0.26 0.00 0.00 58.87 57.36 2ctn n SER 69 Cb 0.52 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.00 0.29 3.38 5.00 0.00 -1.26 -4.92 105.19 107.68 2ctn n GLY 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.36 2.19 -0.24 2.61 -4.23 -1.26 -2.50 115.64 109.86 2ctn s THR 71 Ca 0.00 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.73 2ctn s THR 71 Cb 0.00 -1.95 0.08 0.00 1.34 0.00 0.00 72.50 71.97 2ctn s THR 71 CO 0.00 0.05 0.07 -0.69 -0.54 0.00 0.00 174.62 173.50 2ctn s VAL 72 N -1.13 0.52 0.00 2.29 1.01 -0.97 -4.87 120.40 117.24 2ctn s VAL 72 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2ctn s VAL 72 Cb -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2ctn s VAL 72 CO 0.06 -0.40 0.00 -0.67 0.00 0.00 0.00 175.10 174.09 2ctn n ASP 73 N 5.03 0.00 -3.30 3.32 -0.08 -1.26 -0.64 116.55 119.62 2ctn n ASP 73 Ca -0.07 -0.33 -0.26 0.00 -1.51 0.00 0.00 54.79 52.62 2ctn n ASP 73 Cb 0.45 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.87 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2ctn n PHE 74 N -0.41 1.02 0.06 -0.67 7.35 -1.26 -3.34 117.46 120.21 2ctn n PHE 74 Ca 0.00 -1.41 0.00 0.00 -0.76 0.00 0.00 57.45 55.28 2ctn n PHE 74 Cb 0.00 -1.32 0.00 0.00 0.35 0.00 0.00 39.48 38.51 2ctn n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ctn n ASP 75 N 5.91 -1.08 0.28 -2.13 -0.08 -1.26 -4.91 116.55 113.27 2ctn n ASP 75 Ca 0.37 0.35 0.12 0.00 -1.51 0.00 0.00 54.79 54.11 2ctn n ASP 75 Cb 0.22 1.25 0.77 0.00 2.34 0.00 0.00 41.12 45.70 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 76 N 0.00 0.00 0.81 -0.67 5.08 -1.90 -2.68 114.58 115.22 2ctn h GLU 76 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ctn h GLU 76 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ctn h GLU 76 CO 0.00 0.03 -0.46 0.35 -1.00 0.00 0.00 179.01 177.93 2ctn h PHE 77 N 0.00 -1.22 -0.04 4.33 3.57 -1.85 0.72 116.94 122.45 2ctn h PHE 77 Ca -0.00 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 77 Cb 0.07 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2ctn h PHE 77 CO 0.00 -0.70 0.11 -0.07 -2.23 0.00 0.00 178.31 175.42 2ctn h LEU 78 N -1.17 0.00 0.00 0.59 3.38 -1.80 0.36 115.31 116.66 2ctn h LEU 78 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ctn h LEU 78 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2ctn h LEU 78 CO 0.13 0.00 -0.65 0.58 0.09 0.00 0.00 178.44 178.60 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -0.92 -3.10 116.25 115.53 2ctn h VAL 79 Ca 0.02 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2ctn h VAL 79 Cb 0.25 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2ctn h VAL 79 CO -0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 2ctn n MET 80 N -2.59 0.20 -0.06 1.57 2.81 0.24 -3.29 117.12 116.01 2ctn n MET 80 Ca 0.02 0.28 -0.04 0.00 -1.81 0.00 0.00 57.70 56.14 2ctn n MET 80 Cb 0.51 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 31.11 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2ctn n MET 81 N -2.15 1.36 0.25 0.03 2.81 -1.18 -3.33 117.12 114.91 2ctn n MET 81 Ca 0.04 -0.04 0.17 0.00 -1.81 0.00 0.00 57.70 56.07 2ctn n MET 81 Cb 0.33 -1.38 0.82 0.00 -0.71 0.00 0.00 33.22 32.29 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 0.00 0.00 2.03 2.07 -1.52 1.89 116.25 120.71 2ctn h VAL 82 Ca -0.32 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2ctn h VAL 82 Cb 1.67 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2ctn h VAL 82 CO 0.02 0.00 -0.33 -1.14 0.02 0.00 0.00 177.57 176.14 2ctn n ARG 83 N -2.76 4.88 0.00 1.57 0.63 -1.23 -4.60 116.66 115.14 2ctn n ARG 83 Ca -0.01 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2ctn n ARG 83 Cb 0.15 -0.77 0.00 0.00 0.45 0.00 0.00 32.46 32.29 2ctn n ARG 83 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ctn n SER 84 N -1.17 0.79 0.00 6.15 7.64 -0.89 -4.72 113.62 121.42 2ctn n SER 84 Ca 0.01 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.93 2ctn n SER 84 Cb 0.08 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ctn n MET 85 N -0.06 0.00 0.00 1.43 2.81 0.64 -4.65 117.12 117.29 2ctn n MET 85 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2ctn n MET 85 Cb 0.03 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 2ctn n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2ctn n LYS 86 N -0.39 4.10 -4.22 0.03 2.85 -1.26 -5.02 118.16 114.24 2ctn n LYS 86 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2ctn n LYS 86 Cb 0.00 -0.41 -0.08 0.00 -0.65 0.00 0.00 35.03 33.90 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ctn n ASP 87 N -0.70 0.45 0.01 -5.58 8.00 -1.26 -4.53 116.55 112.94 2ctn n ASP 87 Ca 0.00 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.30 2ctn n ASP 87 Cb 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ctn n ASP 88 N -2.90 -0.25 0.00 -2.24 2.03 -1.26 -5.17 116.55 106.76 2ctn n ASP 88 Ca -0.31 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.09 2ctn n ASP 88 Cb 0.69 0.47 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74