#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlf s LYS 2 N 0.00 0.38 0.46 0.00 1.02 -0.02 -4.74 119.74 116.83 3mlf s LYS 2 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 3mlf s LYS 2 Cb 0.00 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.47 3mlf s LYS 2 CO 0.00 -0.13 0.72 0.95 -0.92 0.00 0.00 175.35 175.97 3mlf s THR 3 N -1.43 4.64 0.26 2.17 -4.23 -1.26 0.14 115.64 115.94 3mlf s THR 3 Ca 0.04 -0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 3mlf s THR 3 Cb -0.01 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.34 3mlf s THR 3 CO -0.03 -0.64 1.81 -0.07 -0.54 0.00 0.00 174.62 175.15 3mlf h LEU 4 N 0.34 0.74 -0.40 4.79 3.38 -1.94 -1.83 115.31 120.39 3mlf h LEU 4 Ca -0.47 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.40 3mlf h LEU 4 Cb 1.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3mlf h LEU 4 CO 0.61 0.39 -0.36 0.50 0.09 0.00 0.00 178.44 179.66 3mlf h LYS 5 N 0.83 0.96 -0.62 1.13 3.64 -1.93 -1.75 116.57 118.83 3mlf h LYS 5 Ca 0.46 -0.49 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3mlf h LYS 5 Cb 0.49 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3mlf h LYS 5 CO -0.28 1.15 0.23 1.49 -2.27 0.00 0.00 179.45 179.77 3mlf h GLU 6 N 0.79 0.91 -0.36 1.90 4.81 -1.84 0.07 114.58 120.86 3mlf h GLU 6 Ca 0.07 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3mlf h GLU 6 Cb 0.96 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3mlf h GLU 6 CO 0.09 0.76 0.11 -0.07 -0.73 0.00 0.00 179.01 179.17 3mlf h LEU 7 N 0.89 0.53 -0.42 1.64 3.38 -0.90 -1.21 115.31 119.22 3mlf h LEU 7 Ca 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3mlf h LEU 7 Cb 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3mlf h LEU 7 CO -0.02 0.60 0.15 -0.09 0.09 0.00 0.00 178.44 179.17 3mlf h ARG 8 N 0.44 0.64 -0.23 1.13 2.43 -0.49 -3.20 114.38 115.11 3mlf h ARG 8 Ca 0.12 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 3mlf h ARG 8 Cb 0.26 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3mlf h ARG 8 CO -0.00 0.62 -0.47 1.79 -1.51 0.00 0.00 179.97 180.39 3mlf h THR 9 N 0.54 1.31 -1.29 0.20 1.35 -0.88 -2.18 112.91 111.95 3mlf h THR 9 Ca 0.14 -1.69 0.38 0.00 -0.55 0.00 0.00 66.41 64.69 3mlf h THR 9 Cb 0.23 1.80 -0.08 0.00 -1.73 0.00 0.00 68.15 68.37 3mlf h THR 9 CO -0.01 0.53 0.89 0.44 -0.25 0.00 0.00 175.52 177.12 3mlf h ASP 10 N 0.44 0.16 -0.47 5.36 5.19 -1.26 0.10 116.42 125.94 3mlf h ASP 10 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3mlf h ASP 10 Cb 1.08 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.62 3mlf h ASP 10 CO 0.11 -0.02 0.00 -1.22 -3.12 0.00 0.00 179.24 174.99 3mlf n TYR 11 N -4.36 0.69 -2.24 4.55 4.01 -0.87 -4.98 117.16 113.96 3mlf n TYR 11 Ca 0.30 -0.52 -0.09 0.00 -0.16 0.00 0.00 57.90 57.43 3mlf n TYR 11 Cb 1.30 -0.05 -0.00 0.00 -0.31 0.00 0.00 39.34 40.28 3mlf n TYR 11 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mlf n GLY 12 N 0.82 0.03 3.88 2.72 0.00 0.35 -5.01 105.19 107.97 3mlf n GLY 12 Ca 0.17 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 3mlf n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlf s LEU 13 N -2.67 4.36 0.63 0.99 1.43 -1.11 -5.05 118.68 117.25 3mlf s LEU 13 Ca 0.02 0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 3mlf s LEU 13 Cb -0.01 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3mlf s LEU 13 CO 0.03 0.34 1.02 0.42 0.23 0.00 0.00 176.35 178.38 3mlf s THR 14 N -1.16 4.42 0.35 5.49 -4.23 -1.26 -4.63 115.64 114.61 3mlf s THR 14 Ca 0.21 0.70 0.03 0.00 -1.18 0.00 0.00 61.69 61.44 3mlf s THR 14 Cb -0.12 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.18 3mlf s THR 14 CO 0.11 -0.98 1.97 1.56 -0.54 0.00 0.00 174.62 176.74 3mlf h GLN 15 N -0.34 0.76 -0.26 3.99 4.20 -1.99 -1.98 115.11 119.48 3mlf h GLN 15 Ca -0.45 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.20 3mlf h GLN 15 Cb 1.21 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3mlf h GLN 15 CO 0.62 0.56 0.14 -0.22 -0.67 0.00 0.00 178.83 179.26 3mlf h LYS 16 N 0.76 0.29 -0.61 1.46 1.63 -1.93 0.17 116.57 118.35 3mlf h LYS 16 Ca 0.20 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.91 3mlf h LYS 16 Cb 0.02 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3mlf h LYS 16 CO -0.03 0.19 0.09 0.93 -3.45 0.00 0.00 179.45 177.18 3mlf h GLU 17 N 0.30 0.99 -0.23 1.90 5.08 -1.76 -0.52 114.58 120.34 3mlf h GLU 17 Ca 0.10 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3mlf h GLU 17 Cb 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3mlf h GLU 17 CO -0.06 0.92 -0.46 1.25 -1.00 0.00 0.00 179.01 179.66 3mlf h LEU 18 N 0.93 0.81 -0.59 1.33 5.85 -1.31 -1.34 115.31 121.00 3mlf h LEU 18 Ca 0.19 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3mlf h LEU 18 Cb 0.42 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 3mlf h LEU 18 CO 0.01 1.20 -0.47 1.23 -0.34 0.00 0.00 178.44 180.08 3mlf h GLY 19 N 0.45 -0.58 1.06 3.75 0.00 -0.35 0.13 103.07 107.53 3mlf h GLY 19 Ca 0.01 0.61 0.01 0.00 0.00 0.00 0.00 47.33 47.96 3mlf h GLY 19 CO 0.10 -0.14 0.62 -0.55 0.00 0.00 0.00 176.54 176.58 3mlf h ASP 20 N -0.24 1.10 -0.25 0.19 3.32 -0.99 0.62 116.42 120.18 3mlf h ASP 20 Ca 0.16 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3mlf h ASP 20 Cb 0.56 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3mlf h ASP 20 CO -0.70 0.80 0.11 0.25 -1.72 0.00 0.00 179.24 177.99 3mlf h LEU 21 N 1.29 0.33 -1.06 1.55 5.85 -0.51 -2.84 115.31 119.91 3mlf h LEU 21 Ca 0.35 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3mlf h LEU 21 Cb -0.14 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3mlf h LEU 21 CO -0.07 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 178.88 3mlf n PHE 22 N -4.82 0.12 -3.70 1.25 3.72 0.39 -4.95 117.46 109.48 3mlf n PHE 22 Ca -0.03 -0.06 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 3mlf n PHE 22 Cb 0.11 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 3mlf n PHE 22 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3mlf n LYS 23 N 0.27 -7.23 -4.49 -1.08 5.02 0.21 -5.01 118.16 105.85 3mlf n LYS 23 Ca 0.17 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.99 3mlf n LYS 23 Cb 0.34 -5.77 -0.10 0.00 -0.02 0.00 0.00 35.03 29.49 3mlf n LYS 23 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3mlf s VAL 24 N -3.31 1.08 0.65 -0.18 -7.23 -0.52 -5.02 120.40 105.86 3mlf s VAL 24 Ca 0.61 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 3mlf s VAL 24 Cb -0.28 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 3mlf s VAL 24 CO 0.76 0.00 1.05 -0.94 -0.31 0.00 0.00 175.10 175.66 3mlf s SER 25 N -3.55 5.71 0.59 4.85 1.04 -1.26 -4.02 113.70 117.06 3mlf s SER 25 Ca 0.32 1.61 0.34 0.00 0.48 0.00 0.00 55.95 58.70 3mlf s SER 25 Cb 0.07 -2.50 1.85 0.00 0.10 0.00 0.00 66.02 65.54 3mlf s SER 25 CO 0.15 -1.22 2.21 0.77 0.98 0.00 0.00 173.24 176.13 3mlf h SER 26 N -0.31 0.00 0.37 7.02 4.64 -1.89 -2.44 113.55 120.94 3mlf h SER 26 Ca -0.45 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.63 3mlf h SER 26 Cb 1.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3mlf h SER 26 CO 0.58 0.04 -1.03 -0.09 -0.87 0.00 0.00 176.83 175.46 3mlf h ARG 27 N 0.00 0.41 -0.60 4.77 2.43 -1.91 -1.62 114.38 117.85 3mlf h ARG 27 Ca -0.00 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 3mlf h ARG 27 Cb 0.16 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3mlf h ARG 27 CO 0.01 1.16 0.25 1.15 -1.51 0.00 0.00 179.97 181.02 3mlf h THR 28 N 0.21 1.21 -0.20 0.20 2.02 -1.82 -0.42 112.91 114.11 3mlf h THR 28 Ca -0.10 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3mlf h THR 28 Cb 1.69 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3mlf h THR 28 CO 0.18 0.26 0.03 0.40 0.37 0.00 0.00 175.52 176.76 3mlf h ILE 29 N 0.86 1.23 -0.22 3.11 1.08 -1.17 -2.99 117.51 119.42 3mlf h ILE 29 Ca 0.21 -0.75 -0.13 0.00 -0.39 0.00 0.00 64.86 63.80 3mlf h ILE 29 Cb 0.15 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 3mlf h ILE 29 CO -0.02 0.23 -0.41 -0.61 -0.69 0.00 0.00 178.15 176.65 3mlf h GLN 30 N 0.13 0.51 -1.13 2.37 5.75 -1.15 -1.88 115.11 119.70 3mlf h GLN 30 Ca 0.06 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3mlf h GLN 30 Cb 0.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 3mlf h GLN 30 CO 0.00 0.83 0.00 0.09 -2.65 0.00 0.00 178.83 177.10 3mlf n ASN 31 N -4.03 0.24 0.00 -0.69 5.03 -0.18 -1.21 115.26 114.42 3mlf n ASN 31 Ca -0.02 -0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.21 3mlf n ASN 31 Cb 0.51 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 3mlf n ASN 31 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mlf n GLU 33 N 0.73 0.00 0.32 3.52 1.02 -0.71 0.10 120.64 125.62 3mlf n GLU 33 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3mlf n GLU 33 Cb 0.04 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.39 3mlf n GLU 33 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3mlf h LYS 34 N 0.00 -0.83 -3.21 3.49 3.64 -1.44 -3.45 116.57 114.77 3mlf h LYS 34 Ca 0.00 0.06 -0.44 0.00 -1.27 0.00 0.00 60.65 58.99 3mlf h LYS 34 Cb 0.00 0.19 -0.40 0.00 -0.41 0.00 0.00 32.23 31.61 3mlf h LYS 34 CO 0.00 -0.53 -0.75 0.34 -2.27 0.00 0.00 179.45 176.24 3mlf s ASP 35 N -4.57 2.06 -0.03 4.20 -1.08 0.11 -2.88 116.67 114.49 3mlf s ASP 35 Ca -0.14 -0.43 0.11 0.00 -0.52 0.00 0.00 52.55 51.58 3mlf s ASP 35 Cb 0.01 -0.27 0.34 0.00 -1.46 0.00 0.00 42.92 41.54 3mlf s ASP 35 CO 0.43 -0.31 1.28 -1.54 0.52 0.00 0.00 175.17 175.55 3mlf n SER 36 N 5.25 3.07 -0.36 -0.34 3.41 -0.50 -4.62 113.62 119.54 3mlf n SER 36 Ca -0.06 -2.17 0.26 0.00 -0.26 0.00 0.00 58.87 56.64 3mlf n SER 36 Cb 0.49 -0.28 0.52 0.00 -0.26 0.00 0.00 64.21 64.68 3mlf n SER 36 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mlf h THR 37 N 1.96 0.36 -0.35 6.66 2.02 -1.89 -1.64 112.91 120.03 3mlf h THR 37 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3mlf h THR 37 Cb 0.85 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3mlf h THR 37 CO 0.04 0.06 0.00 0.59 0.37 0.00 0.00 175.52 176.58 3mlf n ASN 38 N -4.79 4.41 -4.74 4.18 4.13 -1.26 -4.94 115.26 112.25 3mlf n ASN 38 Ca 0.30 -2.98 -0.42 0.00 1.68 0.00 0.00 54.58 53.16 3mlf n ASN 38 Cb 1.03 -0.58 -0.00 0.00 -1.54 0.00 0.00 39.78 38.68 3mlf n ASN 38 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mlf n ILE 39 N -0.17 2.00 -2.75 2.41 3.06 -0.62 -4.94 119.36 118.36 3mlf n ILE 39 Ca 0.23 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.61 3mlf n ILE 39 Cb 0.98 -1.80 -0.06 0.00 0.54 0.00 0.00 39.64 39.30 3mlf n ILE 39 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3mlf s LYS 40 N -2.01 4.59 0.43 9.51 1.02 -1.26 -4.93 119.74 127.09 3mlf s LYS 40 Ca 0.54 1.38 0.11 0.00 0.02 0.00 0.00 55.97 58.02 3mlf s LYS 40 Cb -0.52 -2.86 0.93 0.00 -0.52 0.00 0.00 37.83 34.87 3mlf s LYS 40 CO 0.63 0.28 2.02 0.22 -0.92 0.00 0.00 175.35 177.58 3mlf h ASP 41 N 3.28 0.23 -0.59 2.83 3.58 -1.98 -0.34 116.42 123.43 3mlf h ASP 41 Ca -0.47 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.03 3mlf h ASP 41 Cb 1.19 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 3mlf h ASP 41 CO 0.65 0.27 0.39 0.77 -2.88 0.00 0.00 179.24 178.45 3mlf h SER 42 N 0.25 0.45 0.12 2.28 4.64 -2.00 0.17 113.55 119.47 3mlf h SER 42 Ca 0.06 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 3mlf h SER 42 Cb 0.16 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3mlf h SER 42 CO 0.00 0.28 -1.19 0.25 -0.87 0.00 0.00 176.83 175.30 3mlf h LEU 43 N 0.50 0.40 -1.19 5.97 6.46 -1.75 -3.32 115.31 122.39 3mlf h LEU 43 Ca 0.26 -0.88 0.03 0.00 -0.12 0.00 0.00 57.88 57.17 3mlf h LEU 43 Cb 0.38 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 3mlf h LEU 43 CO -0.08 1.53 0.56 0.25 -0.62 0.00 0.00 178.44 180.08 3mlf h LEU 44 N -0.35 0.92 -1.03 2.25 5.85 -0.75 -1.83 115.31 120.38 3mlf h LEU 44 Ca -0.25 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3mlf h LEU 44 Cb 1.71 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 3mlf h LEU 44 CO 0.09 0.64 0.61 0.28 -0.34 0.00 0.00 178.44 179.72 3mlf h SER 45 N 1.07 1.11 -0.69 1.25 0.02 -0.79 -1.70 113.55 113.81 3mlf h SER 45 Ca 0.33 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3mlf h SER 45 Cb -0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3mlf h SER 45 CO -0.09 0.82 0.45 0.11 -1.14 0.00 0.00 176.83 176.98 3mlf h LYS 46 N 1.30 0.92 -1.48 3.45 1.57 -1.44 -0.59 116.57 120.29 3mlf h LYS 46 Ca 0.35 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3mlf h LYS 46 Cb -0.12 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 31.99 3mlf h LYS 46 CO -0.07 0.61 0.00 0.66 -0.57 0.00 0.00 179.45 180.08 3mlf n TYR 47 N -4.60 0.00 0.00 -1.35 4.02 -0.64 0.69 117.16 115.28 3mlf n TYR 47 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3mlf n TYR 47 Cb 0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 3mlf n TYR 47 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3mlf n SER 49 N 0.85 0.00 -0.35 7.72 2.88 -0.23 -1.00 113.62 123.49 3mlf n SER 49 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 3mlf n SER 49 Cb 0.02 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.74 3mlf n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mlf h ALA 50 N 0.00 1.52 -0.34 -1.46 0.00 0.01 -2.97 119.26 116.02 3mlf h ALA 50 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mlf h ALA 50 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mlf h ALA 50 CO 0.00 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.56 3mlf n PHE 51 N -4.68 0.44 -3.63 0.00 3.72 -0.17 -4.97 117.46 108.17 3mlf n PHE 51 Ca 0.20 -0.29 -0.23 0.00 -0.05 0.00 0.00 57.45 57.08 3mlf n PHE 51 Cb 0.42 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 38.99 3mlf n PHE 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mlf n ASN 52 N 1.11 -3.05 -4.23 4.37 4.13 -1.12 -5.01 115.26 111.47 3mlf n ASN 52 Ca 0.16 -0.85 -0.24 0.00 1.68 0.00 0.00 54.58 55.32 3mlf n ASN 52 Cb 0.51 -4.06 -0.14 0.00 -1.54 0.00 0.00 39.78 34.54 3mlf n ASN 52 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3mlf s VAL 53 N -3.58 1.55 0.72 2.41 -7.23 -1.26 -5.05 120.40 107.96 3mlf s VAL 53 Ca 0.19 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.11 3mlf s VAL 53 Cb -0.05 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.55 3mlf s VAL 53 CO 0.81 0.17 1.07 -0.54 -0.31 0.00 0.00 175.10 176.31 3mlf s LYS 54 N -1.14 2.74 0.16 4.82 1.02 -1.26 -4.65 119.74 121.43 3mlf s LYS 54 Ca 0.06 0.99 -0.16 0.00 0.02 0.00 0.00 55.97 56.89 3mlf s LYS 54 Cb -0.09 -1.96 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 3mlf s LYS 54 CO 0.02 -1.25 1.74 -0.92 -0.92 0.00 0.00 175.35 174.02 3mlf h TYR 55 N -0.83 0.20 0.00 3.18 3.20 -1.99 -0.94 116.97 119.79 3mlf h TYR 55 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3mlf h TYR 55 Cb 1.22 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3mlf h TYR 55 CO 0.60 0.07 0.14 -0.44 -1.64 0.00 0.00 178.16 176.89 3mlf h ASP 56 N 0.26 0.00 0.84 -2.11 5.19 -2.00 -1.96 116.42 116.63 3mlf h ASP 56 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3mlf h ASP 56 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3mlf h ASP 56 CO -0.20 0.00 -0.45 0.47 -3.12 0.00 0.00 179.24 175.94 3mlf n ASP 57 N -2.68 0.57 -4.67 6.45 8.00 -0.36 -4.85 116.55 119.01 3mlf n ASP 57 Ca -0.02 0.11 -0.35 0.00 0.71 0.00 0.00 54.79 55.23 3mlf n ASP 57 Cb 0.19 0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.21 3mlf n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mlf s ILE 58 N -3.09 5.11 0.15 0.53 1.01 -0.74 -0.85 121.20 123.32 3mlf s ILE 58 Ca 0.09 0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3mlf s ILE 58 Cb 0.15 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 3mlf s ILE 58 CO 0.68 0.43 0.98 0.12 0.00 0.00 0.00 174.94 177.16 3mlf s PHE 59 N 0.49 3.80 -0.02 3.97 5.36 0.12 -4.88 117.98 126.82 3mlf s PHE 59 Ca 0.06 1.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.84 3mlf s PHE 59 Cb -0.12 -3.08 -0.00 0.00 -0.34 0.00 0.00 43.02 39.47 3mlf s PHE 59 CO -0.00 0.10 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.24 3mlf s LEU 60 N -0.28 1.90 0.00 6.12 1.02 -1.26 -4.33 118.68 121.84 3mlf s LEU 60 Ca 0.46 -0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.41 3mlf s LEU 60 Cb -0.25 -0.58 0.00 0.00 0.02 0.00 0.00 46.19 45.38 3mlf s LEU 60 CO 0.31 0.10 0.00 0.61 0.02 0.00 0.00 176.35 177.39 3mlf n GLY 61 N 3.07 -0.59 3.94 -3.19 0.00 -1.26 -4.85 105.19 102.32 3mlf n GLY 61 Ca -0.16 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 3mlf n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mlf s ASN 62 N -3.23 4.83 0.37 1.61 2.20 -1.26 -1.41 114.94 118.06 3mlf s ASN 62 Ca 0.00 0.36 0.07 0.00 -0.94 0.00 0.00 52.86 52.35 3mlf s ASN 62 Cb 0.00 -1.02 0.79 0.00 -2.00 0.00 0.00 41.25 39.02 3mlf s ASN 62 CO 0.00 -1.57 1.96 1.05 -2.94 0.00 0.00 177.10 175.61 3mlf h GLU 63 N -0.52 0.68 0.02 3.55 9.09 -1.88 0.35 114.58 125.85 3mlf h GLU 63 Ca -0.44 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 58.93 3mlf h GLU 63 Cb 1.31 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3mlf h GLU 63 CO 0.58 0.45 -0.01 1.88 0.05 0.00 0.00 179.01 181.96 3mlf h TYR 64 N 0.70 -0.02 -0.74 2.06 0.05 -1.93 -0.89 116.97 116.19 3mlf h TYR 64 Ca 0.31 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.02 3mlf h TYR 64 Cb 0.31 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3mlf h TYR 64 CO -0.00 0.09 0.21 0.93 -1.05 0.00 0.00 178.16 178.34 3mlf h GLU 65 N -0.12 1.16 -0.78 4.88 5.08 -1.56 -1.25 114.58 121.99 3mlf h GLU 65 Ca -0.00 -0.26 0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3mlf h GLU 65 Cb 0.12 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 3mlf h GLU 65 CO 0.00 1.00 0.41 -0.97 -1.00 0.00 0.00 179.01 178.45 3mlf h ASN 66 N 1.11 0.53 0.44 1.42 -1.24 -0.26 -1.12 115.58 116.46 3mlf h ASN 66 Ca 0.24 0.07 -0.12 0.00 0.71 0.00 0.00 56.30 57.20 3mlf h ASN 66 Cb 0.33 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3mlf h ASN 66 CO -0.00 0.29 -0.52 0.15 -1.29 0.00 0.00 177.43 176.06 3mlf h PHE 67 N 0.66 0.11 0.03 0.67 3.57 -0.02 -1.37 116.94 120.58 3mlf h PHE 67 Ca 0.39 -0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.64 3mlf h PHE 67 Cb 0.44 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3mlf h PHE 67 CO -0.09 0.59 -0.98 0.28 -2.23 0.00 0.00 178.31 175.87 3mlf h VAL 68 N 0.07 1.52 -0.02 1.41 2.07 -0.69 -1.80 116.25 118.81 3mlf h VAL 68 Ca -0.00 -2.82 -0.01 0.00 0.82 0.00 0.00 66.70 64.69 3mlf h VAL 68 Cb 0.94 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3mlf h VAL 68 CO 0.07 0.82 -0.04 0.15 0.02 0.00 0.00 177.57 178.59 3mlf h PHE 69 N 0.09 0.08 -0.77 1.57 3.57 -1.08 -1.88 116.94 118.52 3mlf h PHE 69 Ca -0.06 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3mlf h PHE 69 Cb 1.65 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.32 3mlf h PHE 69 CO 0.04 0.63 0.46 1.15 -2.23 0.00 0.00 178.31 178.35 3mlf h THR 70 N -0.48 1.02 -0.86 4.41 2.02 -1.26 -2.36 112.91 115.39 3mlf h THR 70 Ca 0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3mlf h THR 70 Cb 0.62 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3mlf h THR 70 CO 0.01 0.15 0.47 -1.13 0.37 0.00 0.00 175.52 175.40 3mlf h ASN 71 N 0.85 1.06 -0.74 4.18 -0.73 -1.16 -0.98 115.58 118.07 3mlf h ASN 71 Ca 0.34 -0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.38 3mlf h ASN 71 Cb 0.17 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.45 3mlf h ASN 71 CO -0.17 0.85 0.31 0.44 -0.37 0.00 0.00 177.43 178.49 3mlf h ASP 72 N 1.20 1.02 0.17 1.15 3.32 -0.84 -0.33 116.42 122.11 3mlf h ASP 72 Ca 0.30 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3mlf h ASP 72 Cb 0.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3mlf h ASP 72 CO -0.05 0.90 -0.08 0.11 -1.72 0.00 0.00 179.24 178.40 3mlf h LYS 73 N 1.09 -0.22 0.14 3.56 1.57 -1.05 -1.81 116.57 119.85 3mlf h LYS 73 Ca 0.25 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3mlf h LYS 73 Cb 0.19 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3mlf h LYS 73 CO -0.02 -0.10 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.17 3mlf h LYS 74 N -0.28 -0.60 -0.99 3.15 3.64 -0.89 -1.29 116.57 119.31 3mlf h LYS 74 Ca -0.02 0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.60 3mlf h LYS 74 Cb 0.22 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 3mlf h LYS 74 CO 0.04 -0.40 0.62 0.87 -2.27 0.00 0.00 179.45 178.31 3mlf h LYS 75 N -0.62 0.63 -0.39 1.90 1.57 -0.93 -1.50 116.57 117.23 3mlf h LYS 75 Ca 0.02 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3mlf h LYS 75 Cb 0.64 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3mlf h LYS 75 CO -0.20 0.41 -0.26 0.77 -0.57 0.00 0.00 179.45 179.60 3mlf h SER 76 N 0.65 0.84 -0.80 0.86 0.02 -0.38 -0.61 113.55 114.12 3mlf h SER 76 Ca 0.57 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3mlf h SER 76 Cb 1.05 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 3mlf h SER 76 CO -0.34 1.05 0.41 0.40 -1.14 0.00 0.00 176.83 177.22 3mlf h ILE 77 N 0.70 1.24 -0.09 3.27 5.03 -0.45 -2.30 117.51 124.90 3mlf h ILE 77 Ca 0.09 -0.65 -0.08 0.00 -0.12 0.00 0.00 64.86 64.10 3mlf h ILE 77 Cb 0.80 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 3mlf h ILE 77 CO 0.07 0.28 -0.26 0.40 -0.68 0.00 0.00 178.15 177.95 3mlf h ILE 78 N 1.12 1.41 0.00 -0.67 2.04 -0.88 -1.74 117.51 118.80 3mlf h ILE 78 Ca 0.28 -1.61 -0.17 0.00 1.00 0.00 0.00 64.86 64.36 3mlf h ILE 78 Cb 0.07 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3mlf h ILE 78 CO -0.04 0.46 -0.81 0.17 0.00 0.00 0.00 178.15 177.93 3mlf h LEU 79 N -0.12 0.05 -0.17 1.44 8.10 -1.17 0.12 115.31 123.56 3mlf h LEU 79 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 57.88 57.92 3mlf h LEU 79 Cb 0.88 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 3mlf h LEU 79 CO 0.06 0.84 0.03 0.00 -4.11 0.00 0.00 178.44 175.26 3mlf h ALA 80 N 1.16 0.23 -0.00 0.17 0.00 -1.39 -2.31 119.26 117.11 3mlf h ALA 80 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mlf h ALA 80 Cb 1.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3mlf h ALA 80 CO 0.11 -0.12 0.00 0.35 0.00 0.00 0.00 179.25 179.59 3mlf h PHE 81 N 0.08 0.00 0.00 0.00 3.04 -1.13 -1.60 116.94 117.33 3mlf h PHE 81 Ca 0.05 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3mlf h PHE 81 Cb 0.29 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 3mlf h PHE 81 CO 0.01 0.28 0.01 1.63 -2.02 0.00 0.00 178.31 178.22 3mlf n LYS 82 N -4.95 0.02 -1.21 1.11 5.02 0.41 -2.91 118.16 115.64 3mlf n LYS 82 Ca -0.08 0.51 -0.28 0.00 -2.02 0.00 0.00 58.31 56.44 3mlf n LYS 82 Cb 0.16 -1.57 0.11 0.00 -0.02 0.00 0.00 35.03 33.70 3mlf n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3mlf n GLU 83 N -1.60 2.40 0.00 1.97 2.13 -0.60 -3.74 120.64 121.20 3mlf n GLU 83 Ca -0.00 -2.93 0.00 0.00 0.66 0.00 0.00 57.16 54.89 3mlf n GLU 83 Cb 0.01 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.58 3mlf n GLU 83 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3mlf n LYS 84 N -0.84 0.00 0.00 5.31 5.02 -1.15 -5.03 118.16 121.47 3mlf n LYS 84 Ca 0.57 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 57.02 3mlf n LYS 84 Cb 1.01 -0.22 0.95 0.00 -0.02 0.00 0.00 35.03 36.74 3mlf n LYS 84 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92