#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhh s GLU 4 N 0.00 3.71 -0.63 3.49 8.01 -1.26 -5.02 118.70 126.99 3mhh s GLU 4 Ca 0.00 0.28 -0.24 0.00 0.01 0.00 0.00 54.97 55.03 3mhh s GLU 4 Cb 0.00 -2.48 0.05 0.00 -4.31 0.00 0.00 34.13 27.40 3mhh s GLU 4 CO 0.00 0.04 1.01 0.99 0.01 0.00 0.00 175.26 177.31 3mhh s THR 5 N -2.30 4.24 0.11 3.63 2.01 -1.26 -4.99 115.64 117.07 3mhh s THR 5 Ca 0.48 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 3mhh s THR 5 Cb -0.10 -4.68 -0.08 0.00 0.01 0.00 0.00 72.50 67.65 3mhh s THR 5 CO 0.32 -1.41 1.51 0.27 -0.69 0.00 0.00 174.62 174.62 3mhh s ILE 6 N 4.32 3.05 0.37 1.82 -4.36 -1.26 -4.98 121.20 120.16 3mhh s ILE 6 Ca 0.27 0.69 0.04 0.00 -0.26 0.00 0.00 60.65 61.39 3mhh s ILE 6 Cb -0.14 -3.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 3mhh s ILE 6 CO 0.14 0.04 0.09 0.42 0.24 0.00 0.00 174.94 175.86 3mhh s THR 7 N 1.57 0.92 0.41 8.37 -4.23 -1.26 -5.00 115.64 116.42 3mhh s THR 7 Ca 0.68 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 3mhh s THR 7 Cb -0.39 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.17 3mhh s THR 7 CO 0.31 0.00 2.03 0.40 -0.54 0.00 0.00 174.62 176.81 3mhh h ILE 8 N 1.93 1.05 -0.40 2.99 2.04 -1.99 0.68 117.51 123.82 3mhh h ILE 8 Ca -0.39 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 3mhh h ILE 8 Cb 1.26 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3mhh h ILE 8 CO 0.64 0.10 -0.09 0.44 0.00 0.00 0.00 178.15 179.25 3mhh h ASP 9 N 0.57 0.77 -0.23 1.72 3.45 -1.98 -1.09 116.42 119.62 3mhh h ASP 9 Ca 0.21 -0.36 -0.20 0.00 0.43 0.00 0.00 57.03 57.11 3mhh h ASP 9 Cb 0.11 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.68 3mhh h ASP 9 CO -0.05 0.95 -0.64 0.77 -1.57 0.00 0.00 179.24 178.70 3mhh h SER 10 N 0.57 0.96 -0.48 6.45 4.64 -1.71 0.35 113.55 124.34 3mhh h SER 10 Ca 0.10 -0.58 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3mhh h SER 10 Cb 0.61 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3mhh h SER 10 CO 0.04 1.36 0.26 0.40 -0.87 0.00 0.00 176.83 178.02 3mhh h ILE 11 N 0.60 1.17 -0.32 0.95 1.08 -0.93 -0.96 117.51 119.10 3mhh h ILE 11 Ca -0.02 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 3mhh h ILE 11 Cb 1.26 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 3mhh h ILE 11 CO 0.14 0.18 0.16 0.28 -0.69 0.00 0.00 178.15 178.22 3mhh h SER 12 N 0.63 0.42 -0.94 1.72 0.02 -1.00 0.15 113.55 114.54 3mhh h SER 12 Ca 0.17 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3mhh h SER 12 Cb 0.06 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 3mhh h SER 12 CO -0.03 0.42 0.61 0.78 -1.14 0.00 0.00 176.83 177.47 3mhh h ASN 13 N 0.39 1.00 -0.79 3.07 2.35 -0.83 0.29 115.58 121.06 3mhh h ASN 13 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3mhh h ASN 13 Cb 0.11 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3mhh h ASN 13 CO -0.01 0.68 0.51 1.23 -1.65 0.00 0.00 177.43 178.18 3mhh h GLY 14 N 1.16 1.13 0.91 2.83 0.00 -0.23 0.16 103.07 109.02 3mhh h GLY 14 Ca 0.38 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3mhh h GLY 14 CO -0.13 0.43 0.01 -2.22 0.00 0.00 0.00 176.54 174.63 3mhh h ILE 15 N 1.08 1.25 -0.85 2.60 2.04 -0.03 -1.87 117.51 121.74 3mhh h ILE 15 Ca 0.29 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3mhh h ILE 15 Cb -0.09 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3mhh h ILE 15 CO -0.06 0.31 0.42 0.25 0.00 0.00 0.00 178.15 179.07 3mhh h LEU 16 N 0.40 1.10 -0.39 1.44 5.85 -0.50 -1.85 115.31 121.35 3mhh h LEU 16 Ca 0.10 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3mhh h LEU 16 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3mhh h LEU 16 CO 0.02 0.92 0.01 -1.13 -0.34 0.00 0.00 178.44 177.91 3mhh h ASN 17 N 1.20 0.68 -0.29 1.25 -0.73 -0.58 0.55 115.58 117.66 3mhh h ASN 17 Ca 0.29 -0.30 0.06 0.00 1.87 0.00 0.00 56.30 58.21 3mhh h ASN 17 Cb 0.10 -0.18 -0.05 0.00 0.27 0.00 0.00 38.32 38.46 3mhh h ASN 17 CO -0.04 0.82 -0.06 0.78 -0.37 0.00 0.00 177.43 178.55 3mhh h ASN 18 N 0.52 -0.25 -0.52 1.15 -0.26 -1.17 0.53 115.58 115.59 3mhh h ASN 18 Ca 0.11 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.92 3mhh h ASN 18 Cb 0.46 0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.87 3mhh h ASN 18 CO 0.02 -0.09 0.25 -0.07 -1.06 0.00 0.00 177.43 176.49 3mhh h LEU 19 N 0.01 0.67 -0.13 1.61 3.38 -0.82 -1.46 115.31 118.57 3mhh h LEU 19 Ca 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3mhh h LEU 19 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3mhh h LEU 19 CO -0.29 0.61 -0.02 -0.07 0.09 0.00 0.00 178.44 178.76 3mhh h LEU 20 N 0.69 0.25 -0.70 1.67 3.38 0.60 -2.67 115.31 118.53 3mhh h LEU 20 Ca 0.18 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 3mhh h LEU 20 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3mhh h LEU 20 CO -0.02 0.54 -0.19 0.71 0.09 0.00 0.00 178.44 179.56 3mhh h THR 21 N -0.04 1.27 -0.65 0.22 1.35 0.16 -1.48 112.91 113.73 3mhh h THR 21 Ca 0.04 -1.30 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3mhh h THR 21 Cb 0.42 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.96 3mhh h THR 21 CO 0.01 0.44 0.33 0.74 -0.25 0.00 0.00 175.52 176.79 3mhh h THR 22 N 0.70 1.21 -0.31 6.82 2.02 -1.27 0.04 112.91 122.12 3mhh h THR 22 Ca 0.10 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 3mhh h THR 22 Cb 0.70 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3mhh h THR 22 CO 0.05 0.24 -0.25 0.25 0.37 0.00 0.00 175.52 176.18 3mhh h LEU 23 N 0.89 0.76 -0.46 2.58 5.85 -1.20 -1.06 115.31 122.68 3mhh h LEU 23 Ca 0.22 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3mhh h LEU 23 Cb 0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3mhh h LEU 23 CO -0.03 1.05 0.24 0.40 -0.34 0.00 0.00 178.44 179.76 3mhh h ILE 24 N 0.48 0.99 0.00 4.05 2.04 -1.13 -1.90 117.51 122.04 3mhh h ILE 24 Ca 0.06 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3mhh h ILE 24 Cb 0.81 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3mhh h ILE 24 CO 0.07 0.09 -0.26 1.56 0.00 0.00 0.00 178.15 179.61 3mhh h GLN 25 N 0.48 0.00 0.06 2.37 4.20 -0.85 0.06 115.11 121.43 3mhh h GLN 25 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3mhh h GLN 25 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3mhh h GLN 25 CO -0.12 0.26 -0.03 0.22 -0.67 0.00 0.00 178.83 178.48 3mhh h ASP 26 N 0.00 -0.07 -0.30 1.46 3.58 -0.98 -2.53 116.42 117.58 3mhh h ASP 26 Ca -0.00 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3mhh h ASP 26 Cb 0.62 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 3mhh h ASP 26 CO 0.03 0.45 0.20 0.40 -2.88 0.00 0.00 179.24 177.44 3mhh h ILE 27 N -0.62 1.07 -0.72 2.25 2.04 -1.01 -1.79 117.51 118.73 3mhh h ILE 27 Ca -0.01 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3mhh h ILE 27 Cb 0.53 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3mhh h ILE 27 CO 0.01 0.07 0.25 0.58 0.00 0.00 0.00 178.15 179.07 3mhh h VAL 28 N 0.41 1.26 -0.66 1.67 2.07 -1.10 -1.30 116.25 118.59 3mhh h VAL 28 Ca 0.11 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3mhh h VAL 28 Cb -0.04 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3mhh h VAL 28 CO -0.03 0.34 0.44 0.00 0.02 0.00 0.00 177.57 178.34 3mhh h ALA 29 N 1.12 0.84 -0.41 1.67 0.00 -1.10 0.11 119.26 121.49 3mhh h ALA 29 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3mhh h ALA 29 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mhh h ALA 29 CO -0.01 0.27 0.04 0.00 0.00 0.00 0.00 179.25 179.55 3mhh h ARG 30 N 0.90 0.64 -0.03 0.00 3.08 -0.92 -1.79 114.38 116.26 3mhh h ARG 30 Ca 0.24 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3mhh h ARG 30 Cb -0.10 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 3mhh h ARG 30 CO -0.05 0.63 -0.04 0.93 -1.07 0.00 0.00 179.97 180.37 3mhh h GLU 31 N 0.62 0.08 -0.16 0.04 4.39 -0.42 -2.81 114.58 116.32 3mhh h GLU 31 Ca 0.13 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 3mhh h GLU 31 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3mhh h GLU 31 CO 0.01 0.60 -0.37 1.79 -1.16 0.00 0.00 179.01 179.88 3mhh h THR 32 N -0.44 1.30 -0.21 1.13 1.35 -0.72 -2.31 112.91 113.00 3mhh h THR 32 Ca 0.00 -1.45 -0.17 0.00 -0.55 0.00 0.00 66.41 64.24 3mhh h THR 32 Cb 0.60 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3mhh h THR 32 CO 0.01 0.44 -0.55 0.71 -0.25 0.00 0.00 175.52 175.88 3mhh h THR 33 N 0.28 1.31 -0.18 6.82 1.35 -1.42 -1.67 112.91 119.40 3mhh h THR 33 Ca 0.03 -1.78 -0.03 0.00 -0.55 0.00 0.00 66.41 64.07 3mhh h THR 33 Cb 0.79 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3mhh h THR 33 CO 0.06 0.56 -0.01 1.56 -0.25 0.00 0.00 175.52 177.45 3mhh h GLN 34 N 0.49 0.33 -0.31 4.72 4.20 -1.29 -1.63 115.11 121.61 3mhh h GLN 34 Ca 0.01 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 3mhh h GLN 34 Cb 1.11 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 3mhh h GLN 34 CO 0.11 0.55 -0.37 0.37 -0.67 0.00 0.00 178.83 178.82 3mhh h GLN 35 N 0.07 0.80 -1.01 1.46 5.75 -1.46 0.12 115.11 120.86 3mhh h GLN 35 Ca 0.05 -0.44 0.08 0.00 -0.15 0.00 0.00 58.65 58.19 3mhh h GLN 35 Cb 0.40 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.91 3mhh h GLN 35 CO 0.01 1.08 0.65 0.37 -2.65 0.00 0.00 178.83 178.28 3mhh h GLN 36 N 0.57 1.09 0.32 1.69 4.15 -1.30 0.41 115.11 122.05 3mhh h GLN 36 Ca 0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3mhh h GLN 36 Cb 0.95 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3mhh h GLN 36 CO 0.09 0.72 -0.16 1.25 -1.93 0.00 0.00 178.83 178.81 3mhh h LEU 37 N 1.13 -0.37 -0.83 -2.39 5.85 -0.76 -1.65 115.31 116.28 3mhh h LEU 37 Ca 0.45 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.19 3mhh h LEU 37 Cb 0.27 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 3mhh h LEU 37 CO -0.20 -0.09 0.43 -0.07 -0.34 0.00 0.00 178.44 178.17 3mhh h LEU 38 N -0.66 0.54 -0.24 2.25 3.38 -0.46 0.54 115.31 120.66 3mhh h LEU 38 Ca -0.04 0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 3mhh h LEU 38 Cb 0.46 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mhh h LEU 38 CO 0.07 0.24 -0.75 0.11 0.09 0.00 0.00 178.44 178.21 3mhh h LYS 39 N 0.64 0.70 -0.39 1.13 1.57 -0.87 0.18 116.57 119.53 3mhh h LYS 39 Ca 0.44 -0.56 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3mhh h LYS 39 Cb 0.59 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3mhh h LYS 39 CO -0.34 1.17 -0.34 1.15 -0.57 0.00 0.00 179.45 180.52 3mhh h THR 40 N 0.48 1.27 -0.22 -0.16 2.02 -1.00 -3.18 112.91 112.13 3mhh h THR 40 Ca -0.04 -1.51 -0.07 0.00 0.77 0.00 0.00 66.41 65.56 3mhh h THR 40 Cb 1.36 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 3mhh h THR 40 CO 0.15 0.51 -0.13 -0.09 0.37 0.00 0.00 175.52 176.32 3mhh h ARG 41 N 0.74 0.48 -4.04 6.66 2.43 -0.77 -3.39 114.38 116.49 3mhh h ARG 41 Ca 0.07 -0.22 -0.63 0.00 -0.81 0.00 0.00 59.98 58.39 3mhh h ARG 41 Cb 0.93 -0.01 -0.40 0.00 -0.42 0.00 0.00 29.97 30.07 3mhh h ARG 41 CO 0.09 0.77 -0.72 0.71 -1.51 0.00 0.00 179.97 179.31 3mhh s TYR 42 N -4.52 2.87 0.21 2.20 2.02 0.63 -4.98 117.35 115.78 3mhh s TYR 42 Ca -0.13 -2.55 0.34 0.00 -0.37 0.00 0.00 57.07 54.35 3mhh s TYR 42 Cb 0.07 -2.43 1.48 0.00 -0.40 0.00 0.00 41.96 40.68 3mhh s TYR 42 CO 0.77 -0.89 2.03 -1.00 -1.57 0.00 0.00 175.55 174.89 3mhh h PRO 43 N 7.58 0.00 -0.61 -1.71 0.13 -1.77 -2.01 132.00 133.62 3mhh h PRO 43 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3mhh h PRO 43 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3mhh h PRO 43 CO 0.52 0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 178.07 3mhh n ASP 44 N -3.17 4.69 -4.60 1.44 8.00 -1.26 -5.01 116.55 116.65 3mhh n ASP 44 Ca -0.00 -2.49 -0.52 0.00 0.71 0.00 0.00 54.79 52.49 3mhh n ASP 44 Cb 0.28 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 3mhh n ASP 44 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3mhh n LEU 45 N 0.96 1.76 -4.28 0.64 7.94 -0.76 -4.98 117.00 118.29 3mhh n LEU 45 Ca 0.25 1.12 -0.29 0.00 -1.11 0.00 0.00 56.01 55.97 3mhh n LEU 45 Cb 0.89 -1.21 -0.16 0.00 0.53 0.00 0.00 43.42 43.48 3mhh n LEU 45 CO 0.23 -0.98 -0.55 0.00 -1.11 0.00 0.00 177.39 174.98 3mhh s ARG 46 N 0.54 1.88 0.83 1.96 1.70 -1.26 -5.13 118.95 119.46 3mhh s ARG 46 Ca 0.84 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 55.11 3mhh s ARG 46 Cb -0.93 -1.85 0.09 0.00 -0.57 0.00 0.00 34.95 31.68 3mhh s ARG 46 CO 0.46 0.50 1.10 -1.54 -1.08 0.00 0.00 175.30 174.74 3mhh s SER 47 N -0.68 4.01 0.27 -2.89 1.04 -1.26 -4.98 113.70 109.21 3mhh s SER 47 Ca 0.09 1.79 -0.29 0.00 0.48 0.00 0.00 55.95 58.02 3mhh s SER 47 Cb -0.09 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 3mhh s SER 47 CO -0.00 -2.35 1.10 -0.31 0.98 0.00 0.00 173.24 172.66 3mhh s TYR 48 N -2.87 3.58 0.36 5.02 2.02 -1.26 -4.98 117.35 119.22 3mhh s TYR 48 Ca 0.62 1.69 -0.28 0.00 -0.37 0.00 0.00 57.07 58.74 3mhh s TYR 48 Cb -0.18 -3.29 -0.10 0.00 -0.40 0.00 0.00 41.96 37.99 3mhh s TYR 48 CO 0.57 -0.56 1.36 -0.47 -1.57 0.00 0.00 175.55 174.88 3mhh s TYR 49 N -1.10 2.86 -0.10 2.71 5.04 -0.77 -5.03 117.35 120.97 3mhh s TYR 49 Ca 0.45 1.34 0.02 0.00 -2.44 0.00 0.00 57.07 56.44 3mhh s TYR 49 Cb -0.32 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.22 3mhh s TYR 49 CO 0.41 -2.25 -0.16 0.12 -1.34 0.00 0.00 175.55 172.32 3mhh s PHE 50 N -1.15 1.99 -0.28 4.97 5.36 -1.26 -4.37 117.98 123.23 3mhh s PHE 50 Ca 0.51 -0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3mhh s PHE 50 Cb -0.42 -1.41 0.05 0.00 -0.34 0.00 0.00 43.02 40.90 3mhh s PHE 50 CO 0.56 -0.43 -0.04 0.34 -1.46 0.00 0.00 175.22 174.19 3mhh s ASP 51 N 0.80 4.71 0.54 6.13 2.15 -1.26 -4.96 116.67 124.78 3mhh s ASP 51 Ca -0.11 -1.26 0.22 0.00 0.43 0.00 0.00 52.55 51.83 3mhh s ASP 51 Cb -0.16 -1.66 1.40 0.00 -0.30 0.00 0.00 42.92 42.20 3mhh s ASP 51 CO 0.01 -0.23 2.10 1.55 -0.17 0.00 0.00 175.17 178.44 3mhh h PRO 52 N 7.94 0.00 0.00 4.34 0.13 -1.99 0.22 132.00 142.64 3mhh h PRO 52 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3mhh h PRO 52 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3mhh h PRO 52 CO 0.52 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 3mhh n ASN 53 N -4.34 0.63 -2.11 1.44 3.02 -1.26 -4.92 115.26 107.73 3mhh n ASN 53 Ca 0.02 0.61 -0.15 0.00 -0.03 0.00 0.00 54.58 55.02 3mhh n ASN 53 Cb 0.28 -0.76 0.02 0.00 -0.61 0.00 0.00 39.78 38.71 3mhh n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mhh n GLY 54 N 0.64 -0.14 0.01 7.41 0.00 0.77 -4.92 105.19 108.96 3mhh n GLY 54 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3mhh n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mhh n SER 55 N -1.13 3.50 -4.71 1.61 7.64 -1.26 -5.06 113.62 114.21 3mhh n SER 55 Ca -0.08 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.49 3mhh n SER 55 Cb 0.58 1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 64.73 3mhh n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3mhh s LEU 56 N -3.88 3.57 0.00 -3.43 1.43 -1.26 -4.33 118.68 110.78 3mhh s LEU 56 Ca -0.03 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3mhh s LEU 56 Cb 0.03 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 44.07 3mhh s LEU 56 CO 0.26 0.19 0.38 -0.90 0.23 0.00 0.00 176.35 176.51 3mhh n ASP 57 N 0.68 0.26 0.00 2.29 5.68 0.06 -4.60 116.55 120.92 3mhh n ASP 57 Ca -0.11 -1.28 0.06 0.00 -0.50 0.00 0.00 54.79 52.97 3mhh n ASP 57 Cb 0.52 -0.27 0.34 0.00 -1.14 0.00 0.00 41.12 40.57 3mhh n ASP 57 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3mhh n ILE 58 N -2.20 0.44 -0.23 2.12 -5.35 -1.26 -0.60 119.36 112.29 3mhh n ILE 58 Ca 0.05 0.11 0.04 0.00 -0.27 0.00 0.00 62.75 62.69 3mhh n ILE 58 Cb 0.19 -0.91 0.11 0.00 -1.74 0.00 0.00 39.64 37.30 3mhh n ILE 58 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3mhh n ASN 59 N -1.19 2.68 -0.31 7.28 5.03 -1.26 -1.85 115.26 125.63 3mhh n ASN 59 Ca 0.07 -2.14 -0.04 0.00 0.87 0.00 0.00 54.58 53.35 3mhh n ASN 59 Cb 0.08 -0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 38.63 3mhh n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mhh n GLY 60 N 0.01 0.69 3.81 7.41 0.00 0.24 -4.98 105.19 112.37 3mhh n GLY 60 Ca 0.09 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 3mhh n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mhh s LEU 61 N -0.92 3.79 0.55 0.99 1.43 -1.26 -4.72 118.68 118.54 3mhh s LEU 61 Ca 0.00 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3mhh s LEU 61 Cb 0.00 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3mhh s LEU 61 CO 0.00 -0.02 0.91 -1.10 0.23 0.00 0.00 176.35 176.37 3mhh s GLN 62 N -3.73 3.55 0.02 1.70 -0.21 -1.26 -0.76 119.66 118.97 3mhh s GLN 62 Ca 0.32 0.47 -0.34 0.00 0.02 0.00 0.00 55.36 55.84 3mhh s GLN 62 Cb -0.08 -2.22 -0.13 0.00 1.00 0.00 0.00 33.01 31.58 3mhh s GLN 62 CO 0.24 -0.40 1.75 1.17 -2.12 0.00 0.00 175.29 175.93 3mhh n LYS 63 N -2.52 2.15 -2.37 2.91 4.81 -1.26 -4.90 118.16 116.98 3mhh n LYS 63 Ca 0.03 0.78 -0.33 0.00 -0.87 0.00 0.00 58.31 57.92 3mhh n LYS 63 Cb 0.55 -2.60 -0.02 0.00 0.02 0.00 0.00 35.03 32.98 3mhh n LYS 63 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3mhh s GLN 64 N 2.71 3.65 -0.44 1.64 -2.07 -1.26 -4.98 119.66 118.91 3mhh s GLN 64 Ca 0.87 1.28 -0.22 0.00 -1.82 0.00 0.00 55.36 55.47 3mhh s GLN 64 Cb -0.69 -2.08 0.02 0.00 -1.09 0.00 0.00 33.01 29.18 3mhh s GLN 64 CO 0.46 -0.55 0.70 -1.14 -1.32 0.00 0.00 175.29 173.44 3mhh s GLN 65 N -3.58 3.34 0.47 9.60 2.00 -1.26 -4.89 119.66 125.34 3mhh s GLN 65 Ca 0.65 -0.25 0.27 0.00 -2.00 0.00 0.00 55.36 54.03 3mhh s GLN 65 Cb -0.16 -3.94 1.00 0.00 0.80 0.00 0.00 33.01 30.71 3mhh s GLN 65 CO 0.26 -1.04 1.85 0.93 -0.50 0.00 0.00 175.29 176.79 3mhh h GLU 66 N 8.90 0.00 -0.88 1.67 5.08 -1.95 -2.42 114.58 124.98 3mhh h GLU 66 Ca -0.25 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3mhh h GLU 66 Cb 1.09 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.27 3mhh h GLU 66 CO 0.92 0.14 0.54 1.03 -1.00 0.00 0.00 179.01 180.64 3mhh h SER 67 N 0.00 0.82 -0.52 1.42 0.87 -2.00 -2.56 113.55 111.59 3mhh h SER 67 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3mhh h SER 67 Cb 0.71 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3mhh h SER 67 CO 0.02 0.50 0.00 -1.54 -0.53 0.00 0.00 176.83 175.28 3mhh n SER 68 N -4.64 4.77 -4.87 6.23 3.41 -0.91 -4.77 113.62 112.84 3mhh n SER 68 Ca 0.14 -2.66 -0.26 0.00 -0.26 0.00 0.00 58.87 55.83 3mhh n SER 68 Cb 0.23 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3mhh n SER 68 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mhh s GLN 69 N -2.28 3.16 0.03 4.33 -0.21 -0.96 -5.05 119.66 118.69 3mhh s GLN 69 Ca 0.46 -0.74 0.01 0.00 0.02 0.00 0.00 55.36 55.10 3mhh s GLN 69 Cb 0.33 -2.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 3mhh s GLN 69 CO 0.16 0.50 -0.04 1.52 -2.12 0.00 0.00 175.29 175.31 3mhh s TYR 70 N -1.75 0.42 -0.03 0.91 -0.85 -1.26 -0.65 117.35 114.14 3mhh s TYR 70 Ca 0.33 -0.60 0.06 0.00 -0.52 0.00 0.00 57.07 56.33 3mhh s TYR 70 Cb -0.10 -0.28 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 3mhh s TYR 70 CO 0.26 -0.18 -0.20 0.42 -1.52 0.00 0.00 175.55 174.32 3mhh s ILE 71 N -1.81 1.62 -0.23 -3.49 -1.09 0.16 -4.80 121.20 111.56 3mhh s ILE 71 Ca -0.11 -0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 57.17 3mhh s ILE 71 Cb -0.07 -1.36 0.01 0.00 -1.58 0.00 0.00 42.46 39.45 3mhh s ILE 71 CO -0.02 0.46 0.98 -2.28 -1.23 0.00 0.00 174.94 172.85 3mhh s HIS 72 N -0.33 3.34 -0.15 3.97 5.65 -1.26 0.40 115.29 126.92 3mhh s HIS 72 Ca 0.04 1.39 -0.24 0.00 0.25 0.00 0.00 55.06 56.50 3mhh s HIS 72 Cb -0.09 -3.21 -0.02 0.00 -1.18 0.00 0.00 32.58 28.08 3mhh s HIS 72 CO 0.00 -0.45 0.76 0.00 -0.65 0.00 0.00 174.74 174.41 3mhh h GLU 74 N 7.24 0.00 0.00 0.00 4.39 -1.95 0.24 114.58 124.50 3mhh h GLU 74 Ca -0.32 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 3mhh h GLU 74 Cb 1.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3mhh h GLU 74 CO 0.80 0.13 -0.46 -0.97 -1.16 0.00 0.00 179.01 177.35 3mhh h ASN 75 N 0.00 0.00 0.00 1.42 -1.24 -1.97 -3.36 115.58 110.43 3mhh h ASN 75 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3mhh h ASN 75 Cb 0.91 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.96 3mhh h ASN 75 CO 0.02 0.46 0.00 0.00 -1.29 0.00 0.00 177.43 176.61 3mhh n GLY 77 N 0.34 0.30 3.75 0.00 0.00 0.85 -5.03 105.19 105.40 3mhh n GLY 77 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3mhh n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mhh s ARG 78 N -4.07 2.89 0.10 1.61 0.52 -1.22 -4.87 118.95 113.91 3mhh s ARG 78 Ca 0.00 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.29 3mhh s ARG 78 Cb 0.00 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.66 3mhh s ARG 78 CO 0.00 0.61 1.25 -0.51 0.02 0.00 0.00 175.30 176.66 3mhh s ASP 79 N -1.95 7.02 -0.04 0.23 1.01 -1.26 -0.32 116.67 121.35 3mhh s ASP 79 Ca 0.24 2.13 0.05 0.00 0.71 0.00 0.00 52.55 55.68 3mhh s ASP 79 Cb -0.12 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.22 3mhh s ASP 79 CO 0.16 -0.50 -0.18 -0.69 0.21 0.00 0.00 175.17 174.17 3mhh s VAL 80 N 0.88 1.52 0.18 -1.27 1.01 0.16 -4.91 120.40 117.97 3mhh s VAL 80 Ca 0.59 -0.78 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 3mhh s VAL 80 Cb -0.32 -1.29 -0.13 0.00 0.00 0.00 0.00 36.38 34.64 3mhh s VAL 80 CO 0.31 0.43 1.69 -1.20 0.00 0.00 0.00 175.10 176.33 3mhh n SER 81 N 3.02 3.67 -0.19 3.32 7.64 -1.26 0.40 113.62 130.22 3mhh n SER 81 Ca -0.17 1.06 -0.02 0.00 1.01 0.00 0.00 58.87 60.75 3mhh n SER 81 Cb 0.53 -1.52 0.09 0.00 -1.01 0.00 0.00 64.21 62.30 3mhh n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mhh h ALA 82 N 6.67 0.75 0.00 -0.43 0.00 -1.08 0.27 119.26 125.44 3mhh h ALA 82 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mhh h ALA 82 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3mhh h ALA 82 CO 0.93 -0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.32 3mhh n ASN 83 N -4.94 0.00 -0.06 0.00 0.23 -1.26 -1.40 115.26 107.82 3mhh n ASN 83 Ca 0.07 -0.32 0.01 0.00 -0.53 0.00 0.00 54.58 53.81 3mhh n ASN 83 Cb 0.22 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.93 3mhh n ASN 83 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3mhh n ARG 84 N -0.96 0.30 -0.13 -3.83 5.12 0.93 -4.79 116.66 113.30 3mhh n ARG 84 Ca 0.07 -0.87 -0.00 0.00 -1.93 0.00 0.00 57.85 55.11 3mhh n ARG 84 Cb 0.03 -1.03 0.27 0.00 -1.16 0.00 0.00 32.46 30.57 3mhh n ARG 84 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3mhh h LEU 85 N 0.27 0.73 -0.08 0.55 6.46 -1.02 -0.25 115.31 121.97 3mhh h LEU 85 Ca 0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3mhh h LEU 85 Cb 0.20 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3mhh h LEU 85 CO 0.00 0.61 -0.00 0.00 -0.62 0.00 0.00 178.44 178.43 3mhh h ALA 86 N 1.51 0.11 -0.57 1.25 0.00 -1.87 -0.48 119.26 119.20 3mhh h ALA 86 Ca 0.20 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mhh h ALA 86 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mhh h ALA 86 CO -0.03 -0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.08 3mhh h ALA 87 N 0.72 1.03 -0.26 0.00 0.00 -1.85 -2.72 119.26 116.18 3mhh h ALA 87 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3mhh h ALA 87 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mhh h ALA 87 CO 0.00 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.20 3mhh h HIS 88 N 0.88 0.42 -0.33 0.00 6.17 -0.93 -2.99 115.15 118.36 3mhh h HIS 88 Ca 0.17 -0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.27 3mhh h HIS 88 Cb 0.43 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 30.19 3mhh h HIS 88 CO 0.03 0.46 0.00 -0.07 0.71 0.00 0.00 177.93 179.06 3mhh h LEU 89 N 0.25 -0.13 -1.54 0.26 3.38 -0.92 0.35 115.31 116.97 3mhh h LEU 89 Ca 0.08 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.30 3mhh h LEU 89 Cb 0.24 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 3mhh h LEU 89 CO -0.00 -0.03 0.54 1.56 0.09 0.00 0.00 178.44 180.60 3mhh h GLN 90 N 0.10 0.41 0.00 1.13 4.20 -1.37 0.93 115.11 120.50 3mhh h GLN 90 Ca 0.16 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3mhh h GLN 90 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3mhh h GLN 90 CO -0.26 0.27 -1.32 0.54 -0.67 0.00 0.00 178.83 177.39 3mhh n ARG 91 N -4.49 0.62 0.02 1.46 1.74 -0.51 -4.04 116.66 111.46 3mhh n ARG 91 Ca 0.16 0.16 -0.22 0.00 -0.77 0.00 0.00 57.85 57.18 3mhh n ARG 91 Cb 0.59 -1.79 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 3mhh n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mhh h LEU 93 N 0.03 0.00 -0.90 0.00 3.38 -1.07 -2.64 115.31 114.11 3mhh h LEU 93 Ca -0.40 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.70 3mhh h LEU 93 Cb 2.02 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.68 3mhh h LEU 93 CO 0.10 0.00 0.52 0.77 0.09 0.00 0.00 178.44 179.92 3mhh h SER 94 N 0.00 0.70 0.00 -0.43 4.64 -1.70 -3.51 113.55 113.24 3mhh h SER 94 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3mhh h SER 94 Cb 0.54 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3mhh h SER 94 CO 0.00 0.34 0.00 -2.11 -0.87 0.00 0.00 176.83 174.19