#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 -4.36 -0.04 0.00 8.00 -1.26 -4.97 116.55 113.92 2ctn n ASP 3 Ca 0.00 1.45 -0.07 0.00 0.71 0.00 0.00 54.79 56.88 2ctn n ASP 3 Cb 0.00 -4.43 -0.03 0.00 -0.02 0.00 0.00 41.12 36.65 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ctn n ILE 4 N 1.91 0.42 0.09 0.53 5.41 -1.26 -4.43 119.36 122.02 2ctn n ILE 4 Ca -0.19 -0.12 -0.15 0.00 1.00 0.00 0.00 62.75 63.29 2ctn n ILE 4 Cb 0.29 -1.38 -0.14 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.20 0.40 -0.26 1.39 0.05 -1.94 -3.27 116.97 113.13 2ctn h TYR 5 Ca -0.19 -0.29 -0.02 0.00 0.05 0.00 0.00 58.73 58.28 2ctn h TYR 5 Cb 1.19 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 2ctn h TYR 5 CO -0.02 1.25 0.07 -0.22 -1.05 0.00 0.00 178.16 178.20 2ctn h LYS 6 N 0.06 0.41 -0.76 4.88 3.11 -1.93 -0.30 116.57 122.05 2ctn h LYS 6 Ca -0.14 -0.09 0.12 0.00 -2.81 0.00 0.00 60.65 57.73 2ctn h LYS 6 Cb 1.95 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 33.07 2ctn h LYS 6 CO 0.18 0.49 0.50 0.00 -2.81 0.00 0.00 179.45 177.81 2ctn h ALA 7 N 0.90 1.94 0.02 5.00 0.00 -1.77 -1.42 119.26 123.92 2ctn h ALA 7 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ctn h ALA 7 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ctn h ALA 7 CO -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.12 2ctn h ALA 8 N 1.63 -0.02 -0.41 0.00 0.00 -1.51 -2.73 119.26 116.22 2ctn h ALA 8 Ca 0.36 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2ctn h ALA 8 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2ctn h ALA 8 CO -0.13 -0.11 0.46 0.28 0.00 0.00 0.00 179.25 179.75 2ctn h VAL 9 N -0.83 0.35 0.18 0.00 2.07 -0.57 0.16 116.25 117.61 2ctn h VAL 9 Ca -0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 2ctn h VAL 9 Cb 0.75 0.63 0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2ctn h VAL 9 CO 0.00 0.00 -1.49 -0.33 0.02 0.00 0.00 177.57 175.78 2ctn h GLU 10 N 0.00 0.39 -0.10 1.57 5.08 -1.25 -3.24 114.58 117.03 2ctn h GLU 10 Ca 0.19 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2ctn h GLU 10 Cb 1.11 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2ctn h GLU 10 CO -0.00 1.30 0.00 1.04 -1.00 0.00 0.00 179.01 180.35 2ctn n GLN 11 N -3.59 1.44 -0.88 2.33 6.02 0.35 -4.93 117.38 118.11 2ctn n GLN 11 Ca -0.16 -0.66 -0.35 0.00 -0.01 0.00 0.00 57.00 55.82 2ctn n GLN 11 Cb 1.07 -1.34 0.08 0.00 1.02 0.00 0.00 30.24 31.07 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ctn n LEU 12 N -0.12 -3.15 -4.82 1.08 4.77 0.06 -4.95 117.00 109.89 2ctn n LEU 12 Ca 0.15 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.91 2ctn n LEU 12 Cb 0.22 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 2ctn n LEU 12 CO 0.12 -4.13 -0.22 0.42 -1.33 0.00 0.00 177.39 172.25 2ctn s THR 13 N -2.15 5.01 0.64 -5.08 -4.23 -1.26 -4.95 115.64 103.61 2ctn s THR 13 Ca 0.47 -0.18 0.23 0.00 -1.18 0.00 0.00 61.69 61.02 2ctn s THR 13 Cb -0.12 -3.25 0.26 0.00 1.34 0.00 0.00 72.50 70.73 2ctn s THR 13 CO 0.72 0.45 1.65 -0.08 -0.54 0.00 0.00 174.62 176.82 2ctn h GLU 14 N 4.41 0.00 -0.10 3.99 4.81 -1.99 0.49 114.58 126.18 2ctn h GLU 14 Ca -0.51 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 2ctn h GLU 14 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2ctn h GLU 14 CO 0.61 0.00 -0.57 0.93 -0.73 0.00 0.00 179.01 179.25 2ctn h GLU 15 N 0.00 0.31 0.14 1.92 4.39 -2.00 -2.34 114.58 117.00 2ctn h GLU 15 Ca 0.09 -0.20 -0.25 0.00 0.34 0.00 0.00 59.36 59.34 2ctn h GLU 15 Cb 1.29 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2ctn h GLU 15 CO -0.00 0.80 -1.22 1.96 -1.16 0.00 0.00 179.01 179.38 2ctn h GLN 16 N 0.24 0.29 0.09 2.33 4.20 -0.42 -3.32 115.11 118.51 2ctn h GLN 16 Ca -0.00 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 2ctn h GLN 16 Cb 1.07 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2ctn h GLN 16 CO 0.09 1.24 -0.05 0.87 -0.67 0.00 0.00 178.83 180.31 2ctn h LYS 17 N -0.29 -0.12 -0.77 1.46 1.57 -1.53 -1.58 116.57 115.32 2ctn h LYS 17 Ca -0.25 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2ctn h LYS 17 Cb 1.76 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.95 2ctn h LYS 17 CO 0.11 -0.07 -0.26 -0.91 -0.57 0.00 0.00 179.45 177.75 2ctn h ASN 18 N -0.13 -0.93 -0.09 0.86 2.35 -1.57 0.89 115.58 116.95 2ctn h ASN 18 Ca -0.01 0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 2ctn h ASN 18 Cb 0.10 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2ctn h ASN 18 CO 0.02 -0.28 -0.14 -0.08 -1.65 0.00 0.00 177.43 175.31 2ctn h GLU 19 N -0.04 0.43 0.19 0.81 4.22 -1.60 -0.74 114.58 117.86 2ctn h GLU 19 Ca 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 2ctn h GLU 19 Cb 0.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2ctn h GLU 19 CO -0.81 0.57 -0.09 0.74 -2.18 0.00 0.00 179.01 177.24 2ctn h PHE 20 N 0.40 -0.24 -0.55 0.92 0.04 0.12 -0.69 116.94 116.94 2ctn h PHE 20 Ca 0.08 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.89 2ctn h PHE 20 Cb 0.48 0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2ctn h PHE 20 CO 0.01 0.13 0.37 0.87 -0.60 0.00 0.00 178.31 179.09 2ctn h LYS 21 N -0.93 0.53 0.30 1.51 6.56 0.46 0.61 116.57 125.60 2ctn h LYS 21 Ca -0.03 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2ctn h LYS 21 Cb 0.48 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2ctn h LYS 21 CO 0.04 0.35 -0.14 0.00 -2.06 0.00 0.00 179.45 177.64 2ctn h ALA 22 N 1.70 -0.40 -0.26 3.86 0.00 -1.16 -3.12 119.26 119.87 2ctn h ALA 22 Ca 0.23 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ctn h ALA 22 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ctn h ALA 22 CO -0.07 -0.38 0.16 0.00 0.00 0.00 0.00 179.25 178.96 2ctn h ALA 23 N -0.99 0.33 -0.78 0.00 0.00 -0.98 -1.60 119.26 115.24 2ctn h ALA 23 Ca -0.04 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2ctn h ALA 23 Cb 0.37 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 2ctn h ALA 23 CO 0.07 -0.16 -0.28 0.35 0.00 0.00 0.00 179.25 179.23 2ctn h PHE 24 N 0.33 -0.71 0.15 0.00 3.04 0.10 0.41 116.94 120.26 2ctn h PHE 24 Ca 0.09 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 2ctn h PHE 24 Cb 0.02 0.43 0.00 0.00 2.56 0.00 0.00 35.95 38.96 2ctn h PHE 24 CO -0.04 -0.37 -0.07 0.22 -2.02 0.00 0.00 178.31 176.02 2ctn h ASP 25 N -0.05 -0.17 -0.64 0.41 3.58 -1.43 0.52 116.42 118.64 2ctn h ASP 25 Ca 0.33 -0.27 0.18 0.00 0.42 0.00 0.00 57.03 57.70 2ctn h ASP 25 Cb 0.58 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2ctn h ASP 25 CO -0.82 0.19 0.54 0.40 -2.88 0.00 0.00 179.24 176.68 2ctn h ILE 26 N -0.55 0.47 0.01 2.25 2.04 -0.19 0.36 117.51 121.90 2ctn h ILE 26 Ca -0.02 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.52 2ctn h ILE 26 Cb 0.42 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2ctn h ILE 26 CO 0.03 0.00 -1.98 0.49 0.00 0.00 0.00 178.15 176.69 2ctn n PHE 27 N -3.99 0.64 1.50 1.37 3.72 0.13 -3.99 117.46 116.85 2ctn n PHE 27 Ca 0.13 0.22 0.15 0.00 -0.05 0.00 0.00 57.45 57.89 2ctn n PHE 27 Cb 0.78 -1.12 0.68 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.97 0.00 -0.24 -4.37 0.31 0.18 -3.78 118.33 107.46 2ctn n VAL 28 Ca -0.24 -0.05 0.30 0.00 -0.01 0.00 0.00 64.34 64.34 2ctn n VAL 28 Cb 1.09 -0.18 0.71 0.00 -0.91 0.00 0.00 33.84 34.54 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 0.51 0.05 -0.89 7.52 -0.00 -0.52 -0.04 115.31 121.94 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2ctn h LEU 29 Cb 0.30 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2ctn h LEU 29 CO 0.00 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.06 2ctn n GLY 30 N -1.71 -1.22 3.10 0.83 0.00 -1.25 -5.06 105.19 99.88 2ctn n GLY 30 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.07 -4.90 -0.16 4.61 0.00 -0.03 -4.79 120.51 115.17 2ctn n ALA 31 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 53.44 52.08 2ctn n ALA 31 Cb 0.01 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.48 2ctn n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ctn h GLU 32 N -1.47 0.28 0.00 0.00 4.81 -1.88 -3.43 114.58 112.90 2ctn h GLU 32 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2ctn h GLU 32 Cb 1.34 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2ctn h GLU 32 CO 0.27 0.18 0.00 -0.40 -0.73 0.00 0.00 179.01 178.33 2ctn n ASP 33 N -5.07 0.00 -2.68 1.04 5.68 -1.26 -5.03 116.55 109.24 2ctn n ASP 33 Ca 0.05 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.30 2ctn n ASP 33 Cb 0.23 0.24 0.05 0.00 -1.14 0.00 0.00 41.12 40.50 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 34 N -0.16 -0.19 3.82 6.12 0.00 -1.26 -5.06 105.19 108.45 2ctn n GLY 34 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctn s SER 35 N -0.54 -0.04 -0.27 1.61 1.04 -1.26 -4.88 113.70 109.35 2ctn s SER 35 Ca 0.12 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 2ctn s SER 35 Cb 0.20 0.83 0.09 0.00 0.10 0.00 0.00 66.02 67.25 2ctn s SER 35 CO -0.06 -1.62 0.12 0.27 0.98 0.00 0.00 173.24 172.92 2ctn s ILE 36 N -2.60 0.01 0.99 -1.02 -4.36 0.21 -4.55 121.20 109.88 2ctn s ILE 36 Ca 0.15 -0.72 -0.16 0.00 -0.26 0.00 0.00 60.65 59.65 2ctn s ILE 36 Cb -0.05 -0.98 0.22 0.00 1.25 0.00 0.00 42.46 42.90 2ctn s ILE 36 CO 0.11 -0.65 1.34 -0.44 0.24 0.00 0.00 174.94 175.54 2ctn s SER 37 N 2.06 2.88 0.60 4.36 0.01 -1.26 -1.58 113.70 120.78 2ctn s SER 37 Ca 0.08 0.15 0.28 0.00 1.31 0.00 0.00 55.95 57.78 2ctn s SER 37 Cb -0.16 -0.12 1.10 0.00 0.21 0.00 0.00 66.02 67.05 2ctn s SER 37 CO -0.31 -2.87 1.47 0.00 0.41 0.00 0.00 173.24 171.93 2ctn h THR 38 N -1.73 0.09 -0.03 1.44 1.03 -0.89 1.28 112.91 114.09 2ctn h THR 38 Ca -0.44 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 65.76 2ctn h THR 38 Cb 1.22 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2ctn h THR 38 CO 0.33 0.00 -0.84 0.50 -0.01 0.00 0.00 175.52 175.50 2ctn h LYS 39 N 0.00 0.38 0.02 0.00 3.11 -1.88 -3.02 116.57 115.18 2ctn h LYS 39 Ca 0.44 -0.36 -0.37 0.00 -2.81 0.00 0.00 60.65 57.55 2ctn h LYS 39 Cb 2.51 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 33.78 2ctn h LYS 39 CO -0.00 1.03 -2.07 0.39 -2.81 0.00 0.00 179.45 175.98 2ctn n GLU 40 N -3.77 0.63 -0.33 1.90 -0.58 0.40 -4.34 120.64 114.54 2ctn n GLU 40 Ca -0.05 0.33 0.08 0.00 -0.42 0.00 0.00 57.16 57.10 2ctn n GLU 40 Cb 0.78 -1.61 0.25 0.00 -0.57 0.00 0.00 31.44 30.28 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2ctn h LEU 41 N -0.59 0.75 -0.08 -4.62 7.12 -0.67 -2.59 115.31 114.62 2ctn h LEU 41 Ca -0.53 0.07 0.01 0.00 0.13 0.00 0.00 57.88 57.57 2ctn h LEU 41 Cb 1.67 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.71 2ctn h LEU 41 CO -0.20 0.34 -0.15 1.23 -0.13 0.00 0.00 178.44 179.54 2ctn h GLY 42 N 0.80 -1.61 1.13 3.75 0.00 -1.71 0.41 103.07 105.83 2ctn h GLY 42 Ca 0.50 0.76 0.08 0.00 0.00 0.00 0.00 47.33 48.67 2ctn h GLY 42 CO -0.32 -0.55 0.35 0.50 0.00 0.00 0.00 176.54 176.52 2ctn h LYS 43 N -0.12 0.00 -0.00 4.80 1.57 -1.70 -1.72 116.57 119.39 2ctn h LYS 43 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2ctn h LYS 43 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ctn h LYS 43 CO -0.14 0.00 -0.19 0.28 -0.57 0.00 0.00 179.45 178.83 2ctn h VAL 44 N 0.00 1.56 -0.27 0.50 2.07 -0.11 -3.26 116.25 116.73 2ctn h VAL 44 Ca 0.14 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 65.82 2ctn h VAL 44 Cb 0.84 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 33.32 2ctn h VAL 44 CO -0.00 0.51 -0.11 -0.03 0.02 0.00 0.00 177.57 177.96 2ctn h MET 45 N -0.55 -0.06 -0.61 1.57 4.05 0.55 0.67 114.93 120.55 2ctn h MET 45 Ca -0.02 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.58 2ctn h MET 45 Cb 0.94 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 2ctn h MET 45 CO 0.04 -0.04 0.52 -0.09 0.23 0.00 0.00 176.91 177.57 2ctn h ARG 46 N -0.06 0.00 0.15 0.39 2.43 -1.62 -0.63 114.38 115.04 2ctn h ARG 46 Ca 0.14 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.11 2ctn h ARG 46 Cb 0.27 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2ctn h ARG 46 CO -0.32 0.00 -0.89 0.52 -1.51 0.00 0.00 179.97 177.77 2ctn h MET 47 N 0.00 0.32 -0.44 0.20 2.86 -0.94 -3.30 114.93 113.63 2ctn h MET 47 Ca 0.29 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 2ctn h MET 47 Cb 1.33 0.20 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 2ctn h MET 47 CO -0.00 1.26 0.23 -0.07 1.06 0.00 0.00 176.91 179.39 2ctn h LEU 48 N -0.32 0.53 0.00 1.22 3.38 -0.34 -3.45 115.31 116.33 2ctn h LEU 48 Ca -0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ctn h LEU 48 Cb 1.70 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2ctn h LEU 48 CO 0.16 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.75 2ctn n GLY 49 N -1.30 0.65 3.16 0.83 0.00 -0.60 -5.12 105.19 102.80 2ctn n GLY 49 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.82 -0.38 1.61 -0.21 -0.99 -5.01 119.66 115.50 2ctn s GLN 50 Ca 0.00 -1.34 0.12 0.00 0.02 0.00 0.00 55.36 54.16 2ctn s GLN 50 Cb 0.00 -0.09 0.37 0.00 1.00 0.00 0.00 33.01 34.28 2ctn s GLN 50 CO 0.00 -0.07 0.90 -1.71 -2.12 0.00 0.00 175.29 172.30 2ctn n ASN 51 N -0.03 0.03 -3.04 5.90 5.15 -1.26 -4.00 115.26 118.00 2ctn n ASN 51 Ca -0.12 -3.07 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 2ctn n ASN 51 Cb 0.61 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ctn n PRO 52 N 0.17 0.45 -4.44 1.20 -0.04 -1.26 -5.09 135.00 125.99 2ctn n PRO 52 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2ctn n PRO 52 Cb 0.71 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.07 2ctn n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ctn s THR 53 N -0.32 1.60 0.24 0.52 -4.23 -1.26 -5.03 115.64 107.16 2ctn s THR 53 Ca 0.00 -2.11 0.15 0.00 -1.18 0.00 0.00 61.69 58.56 2ctn s THR 53 Cb 0.00 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.40 2ctn s THR 53 CO 0.00 -0.25 1.71 1.55 -0.54 0.00 0.00 174.62 177.08 2ctn h PRO 54 N 2.24 0.00 -0.03 3.99 0.13 -2.01 -3.05 132.00 133.27 2ctn h PRO 54 Ca -0.40 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 2ctn h PRO 54 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.68 0.46 -0.39 0.93 -0.23 0.00 0.00 178.00 179.45 2ctn h GLU 55 N 0.00 0.32 0.00 0.86 5.08 -2.02 -3.10 114.58 115.72 2ctn h GLU 55 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2ctn h GLU 55 Cb 0.93 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2ctn h GLU 55 CO 0.06 0.97 -0.01 1.49 -1.00 0.00 0.00 179.01 180.53 2ctn h GLU 56 N -0.22 0.00 0.00 2.33 4.81 -1.97 -2.89 114.58 116.64 2ctn h GLU 56 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2ctn h GLU 56 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2ctn h GLU 56 CO 0.08 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.64 2ctn n LEU 57 N -3.18 0.56 -0.12 1.64 4.77 -1.16 0.78 117.00 120.29 2ctn n LEU 57 Ca -0.02 0.57 0.27 0.00 -0.03 0.00 0.00 56.01 56.79 2ctn n LEU 57 Cb 0.11 -0.26 0.62 0.00 -2.33 0.00 0.00 43.42 41.56 2ctn n LEU 57 CO 0.22 -0.26 1.25 -0.61 -1.33 0.00 0.00 177.39 176.65 2ctn h GLN 58 N 0.00 0.00 0.00 3.23 5.75 -1.62 0.17 115.11 122.64 2ctn h GLN 58 Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 2ctn h GLN 58 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2ctn h GLN 58 CO 0.00 0.00 -0.41 1.49 -2.65 0.00 0.00 178.83 177.26 2ctn h GLU 59 N 0.00 0.00 -0.84 1.69 4.57 -1.46 -3.01 114.58 115.54 2ctn h GLU 59 Ca 0.39 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2ctn h GLU 59 Cb 2.12 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.67 2ctn h GLU 59 CO -0.00 0.97 0.42 1.98 -1.18 0.00 0.00 179.01 181.19 2ctn h MET 60 N -1.00 1.19 -0.11 1.92 4.05 0.25 -2.84 114.93 118.39 2ctn h MET 60 Ca -0.11 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 2ctn h MET 60 Cb 1.07 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2ctn h MET 60 CO -0.07 0.90 0.04 0.82 0.23 0.00 0.00 176.91 178.83 2ctn h ILE 61 N 1.18 1.17 -0.24 1.77 2.04 -0.92 -1.31 117.51 121.20 2ctn h ILE 61 Ca 0.29 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2ctn h ILE 61 Cb 0.09 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2ctn h ILE 61 CO -0.04 0.15 0.42 0.44 0.00 0.00 0.00 178.15 179.12 2ctn h ASP 62 N 0.00 0.00 0.02 1.72 3.32 -1.35 1.97 116.42 122.11 2ctn h ASP 62 Ca 0.04 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.85 2ctn h ASP 62 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 2ctn h ASP 62 CO -0.00 0.00 -1.29 -0.08 -1.72 0.00 0.00 179.24 176.15 2ctn h GLU 63 N 0.00 0.05 0.00 3.56 4.22 -1.24 -3.37 114.58 117.80 2ctn h GLU 63 Ca 0.11 -0.09 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2ctn h GLU 63 Cb 0.95 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2ctn h GLU 63 CO -0.00 1.04 -0.20 -0.39 -2.18 0.00 0.00 179.01 177.28 2ctn h VAL 64 N -0.81 0.23 -3.56 0.32 -1.51 -0.38 -3.43 116.25 107.12 2ctn h VAL 64 Ca -0.34 -1.33 -0.61 0.00 -1.23 0.00 0.00 66.70 63.20 2ctn h VAL 64 Cb 1.41 2.08 -0.11 0.00 -2.13 0.00 0.00 31.29 32.55 2ctn h VAL 64 CO -0.14 0.13 0.40 -0.62 -1.23 0.00 0.00 177.57 176.11 2ctn s ASP 65 N -6.23 6.53 0.00 4.19 2.15 0.66 -4.89 116.67 119.08 2ctn s ASP 65 Ca 0.06 0.26 0.19 0.00 0.43 0.00 0.00 52.55 53.48 2ctn s ASP 65 Cb 0.06 -2.40 1.06 0.00 -0.30 0.00 0.00 42.92 41.34 2ctn s ASP 65 CO 0.70 -0.80 1.69 -0.62 -0.17 0.00 0.00 175.17 175.97 2ctn n GLU 66 N 6.56 1.09 0.00 4.34 1.02 -1.26 -3.44 120.64 128.95 2ctn n GLU 66 Ca 0.03 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2ctn n GLU 66 Cb 0.48 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctn n ASP 67 N -0.66 4.53 -2.44 1.62 5.68 -1.26 -5.06 116.55 118.97 2ctn n ASP 67 Ca 0.14 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.38 2ctn n ASP 67 Cb 0.10 0.89 0.03 0.00 -1.14 0.00 0.00 41.12 40.99 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 2.28 -0.43 0.00 6.12 0.00 -1.22 -4.98 105.19 106.96 2ctn n GLY 68 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.12 0.42 0.00 1.61 3.41 -1.26 -4.99 113.62 110.68 2ctn n SER 69 Ca -0.03 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2ctn n SER 69 Cb 0.54 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.82 0.56 3.81 5.00 0.00 -1.26 -4.93 105.19 109.18 2ctn n GLY 70 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.59 5.06 -0.04 2.61 -4.23 -1.26 -0.13 115.64 115.07 2ctn s THR 71 Ca 0.00 0.85 0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2ctn s THR 71 Cb 0.00 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.12 2ctn s THR 71 CO 0.00 0.52 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.81 2ctn s VAL 72 N -0.67 0.91 0.00 2.29 1.01 -0.61 -4.84 120.40 118.49 2ctn s VAL 72 Ca 0.24 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2ctn s VAL 72 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2ctn s VAL 72 CO 0.12 0.29 0.00 -0.90 0.00 0.00 0.00 175.10 174.61 2ctn n ASP 73 N 3.54 0.00 0.00 3.32 5.68 -1.26 0.63 116.55 128.46 2ctn n ASP 73 Ca -0.21 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.15 2ctn n ASP 73 Cb 0.53 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.86 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2ctn n PHE 74 N 0.00 0.00 -0.00 2.11 7.35 -1.26 -2.51 117.46 123.15 2ctn n PHE 74 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2ctn n PHE 74 Cb 0.00 -0.23 -0.00 0.00 0.35 0.00 0.00 39.48 39.60 2ctn n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2ctn n ASP 75 N -1.23 0.46 -0.17 -2.13 9.92 -1.26 -4.38 116.55 117.76 2ctn n ASP 75 Ca 0.07 0.07 0.28 0.00 -0.53 0.00 0.00 54.79 54.68 2ctn n ASP 75 Cb 0.09 -0.32 0.72 0.00 -0.64 0.00 0.00 41.12 40.97 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ctn h GLU 76 N -0.14 0.00 0.57 -1.24 5.08 -1.92 -0.10 114.58 116.83 2ctn h GLU 76 Ca 0.00 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 76 Cb 0.14 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2ctn h GLU 76 CO 0.00 0.00 -0.28 0.35 -1.00 0.00 0.00 179.01 178.09 2ctn h PHE 77 N 0.00 -0.71 -0.27 4.33 3.04 -1.75 0.13 116.94 121.70 2ctn h PHE 77 Ca 0.42 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.33 2ctn h PHE 77 Cb 1.67 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 40.40 2ctn h PHE 77 CO -0.00 -0.44 0.09 -0.07 -2.02 0.00 0.00 178.31 175.87 2ctn h LEU 78 N -1.07 0.34 0.26 0.59 3.38 -1.63 -0.52 115.31 116.64 2ctn h LEU 78 Ca -0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2ctn h LEU 78 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ctn h LEU 78 CO 0.13 0.32 -0.12 0.58 0.09 0.00 0.00 178.44 179.44 2ctn h VAL 79 N 0.38 0.49 -0.57 1.22 2.07 -1.03 -1.59 116.25 117.22 2ctn h VAL 79 Ca 0.09 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.73 2ctn h VAL 79 Cb 0.10 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2ctn h VAL 79 CO -0.01 0.12 0.38 -0.03 0.02 0.00 0.00 177.57 178.06 2ctn h MET 80 N -0.97 0.70 -0.05 1.57 1.85 -0.67 -1.97 114.93 115.39 2ctn h MET 80 Ca -0.04 -0.04 -0.17 0.00 -0.61 0.00 0.00 59.70 58.84 2ctn h MET 80 Cb 0.47 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 2ctn h MET 80 CO 0.06 0.46 -0.72 0.00 -0.40 0.00 0.00 176.91 176.31 2ctn h MET 81 N 0.72 0.26 -0.84 0.39 3.00 -1.15 -3.01 114.93 114.30 2ctn h MET 81 Ca 0.22 -0.22 0.04 0.00 0.00 0.00 0.00 59.70 59.74 2ctn h MET 81 Cb -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 31.60 31.59 2ctn h MET 81 CO -0.05 0.87 0.54 0.28 0.00 0.00 0.00 176.91 178.55 2ctn h VAL 82 N 0.18 1.11 0.00 -0.10 2.07 -0.49 0.06 116.25 119.08 2ctn h VAL 82 Ca -0.02 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2ctn h VAL 82 Cb 1.28 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2ctn h VAL 82 CO 0.11 0.19 -0.24 0.08 0.02 0.00 0.00 177.57 177.73 2ctn h ARG 83 N 1.03 0.00 0.12 1.57 0.11 -1.50 -3.11 114.38 112.60 2ctn h ARG 83 Ca 0.34 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.15 2ctn h ARG 83 Cb 0.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.13 2ctn h ARG 83 CO -0.13 0.24 -1.21 0.77 0.10 0.00 0.00 179.97 179.75 2ctn h SER 84 N 0.00 0.49 -0.73 0.08 0.02 -1.03 -3.34 113.55 109.05 2ctn h SER 84 Ca -0.00 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.52 2ctn h SER 84 Cb 0.83 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 63.11 2ctn h SER 84 CO 0.03 1.37 -0.57 0.24 -1.14 0.00 0.00 176.83 176.76 2ctn h MET 85 N 0.11 -0.17 0.00 3.45 2.86 -0.97 -3.40 114.93 116.81 2ctn h MET 85 Ca -0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2ctn h MET 85 Cb 1.92 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.62 2ctn h MET 85 CO 0.20 -0.11 0.00 1.17 1.06 0.00 0.00 176.91 179.23 2ctn n LYS 86 N -5.25 0.00 -3.36 1.72 4.81 -1.26 -4.77 118.16 110.05 2ctn n LYS 86 Ca -0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 2ctn n LYS 86 Cb 0.29 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.35 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ctn n ASP 87 N 2.14 -6.58 -3.08 3.14 -0.08 -1.26 -3.81 116.55 107.01 2ctn n ASP 87 Ca 0.00 -0.49 -0.07 0.00 -1.51 0.00 0.00 54.79 52.71 2ctn n ASP 87 Cb 0.00 -4.05 0.01 0.00 2.34 0.00 0.00 41.12 39.41 2ctn n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ctn n ASP 88 N -2.23 -7.45 0.00 1.67 9.92 -1.26 -5.29 116.55 111.91 2ctn n ASP 88 Ca -0.11 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2ctn n ASP 88 Cb 0.57 -4.79 0.00 0.00 -0.64 0.00 0.00 41.12 36.27 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79