#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mwn h GLU 2 N 0.00 0.97 -0.00 4.33 4.81 -2.07 -2.75 114.58 119.87 1mwn h GLU 2 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1mwn h GLU 2 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1mwn h GLU 2 CO 0.00 1.14 0.00 1.25 -0.73 0.00 0.00 179.01 180.67 1mwn h LEU 3 N 0.80 0.00 -0.42 1.64 6.46 -2.05 -2.56 115.31 119.19 1mwn h LEU 3 Ca 0.08 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1mwn h LEU 3 Cb 0.92 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1mwn h LEU 3 CO 0.09 0.00 0.27 -0.08 -0.62 0.00 0.00 178.44 178.10 1mwn h GLU 4 N 0.00 0.54 -0.06 1.25 4.57 -1.93 0.40 114.58 119.35 1mwn h GLU 4 Ca 0.00 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 1mwn h GLU 4 Cb 0.00 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1mwn h GLU 4 CO -0.00 0.36 -0.49 1.57 -1.18 0.00 0.00 179.01 179.27 1mwn h LYS 5 N 0.56 0.15 -0.12 1.92 2.10 -1.62 -3.10 116.57 116.47 1mwn h LYS 5 Ca 0.15 -0.08 -0.22 0.00 -2.00 0.00 0.00 60.65 58.50 1mwn h LYS 5 Cb -0.06 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1mwn h LYS 5 CO -0.04 0.61 -0.81 0.00 -2.00 0.00 0.00 179.45 177.21 1mwn h ALA 6 N 1.37 0.33 -0.38 0.07 0.00 -1.33 -3.05 119.26 116.27 1mwn h ALA 6 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1mwn h ALA 6 Cb 0.91 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1mwn h ALA 6 CO 0.07 0.70 0.25 1.98 0.00 0.00 0.00 179.25 182.25 1mwn h MET 7 N 0.47 0.50 -1.01 0.00 1.85 -0.16 -1.24 114.93 115.34 1mwn h MET 7 Ca -0.06 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.01 1mwn h MET 7 Cb 1.44 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 33.31 1mwn h MET 7 CO 0.16 0.33 0.67 -0.39 -0.40 0.00 0.00 176.91 177.28 1mwn h VAL 8 N 0.51 1.26 -0.57 -5.77 -1.51 -1.60 -1.02 116.25 107.55 1mwn h VAL 8 Ca 0.14 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1mwn h VAL 8 Cb -0.06 -0.23 -0.03 0.00 -2.13 0.00 0.00 31.29 28.85 1mwn h VAL 8 CO -0.03 0.25 0.37 0.00 -1.23 0.00 0.00 177.57 176.92 1mwn h ALA 9 N 1.37 0.72 -0.61 5.19 0.00 -1.25 0.27 119.26 124.95 1mwn h ALA 9 Ca 0.37 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1mwn h ALA 9 Cb -0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1mwn h ALA 9 CO -0.08 0.17 0.07 -0.07 0.00 0.00 0.00 179.25 179.33 1mwn h LEU 10 N 0.77 1.00 -0.46 0.00 4.07 -0.53 0.62 115.31 120.77 1mwn h LEU 10 Ca 0.21 -0.28 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 1mwn h LEU 10 Cb -0.07 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.38 1mwn h LEU 10 CO -0.04 1.03 0.06 0.40 -1.08 0.00 0.00 178.44 178.81 1mwn h ILE 11 N 0.94 1.25 -0.31 1.22 2.04 -0.67 -1.13 117.51 120.85 1mwn h ILE 11 Ca 0.18 -0.93 -0.18 0.00 1.00 0.00 0.00 64.86 64.93 1mwn h ILE 11 Cb 0.47 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1mwn h ILE 11 CO 0.02 0.33 -0.52 -0.78 0.00 0.00 0.00 178.15 177.20 1mwn h ASP 12 N 0.64 0.99 -0.27 1.72 1.82 -0.21 -2.82 116.42 118.29 1mwn h ASP 12 Ca 0.14 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1mwn h ASP 12 Cb 0.40 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1mwn h ASP 12 CO 0.01 1.32 0.18 0.58 -1.61 0.00 0.00 179.24 179.72 1mwn h VAL 13 N 0.69 1.07 -0.37 2.25 2.07 0.42 -1.58 116.25 120.81 1mwn h VAL 13 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mwn h VAL 13 Cb 1.13 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1mwn h VAL 13 CO 0.12 0.07 0.25 0.15 0.02 0.00 0.00 177.57 178.17 1mwn h PHE 14 N 0.36 0.47 -0.04 1.57 3.57 -0.94 -2.70 116.94 119.23 1mwn h PHE 14 Ca 0.10 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 1mwn h PHE 14 Cb -0.04 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1mwn h PHE 14 CO -0.00 0.30 -0.59 1.25 -2.23 0.00 0.00 178.31 177.04 1mwn h HIS 15 N 0.50 0.18 -0.74 0.41 2.76 -1.28 -1.41 115.15 115.57 1mwn h HIS 15 Ca 0.14 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1mwn h HIS 15 Cb -0.06 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 1mwn h HIS 15 CO -0.05 0.69 0.49 1.96 -1.30 0.00 0.00 177.93 179.72 1mwn h GLN 16 N 0.10 0.97 0.00 5.26 4.20 -1.00 -2.39 115.11 122.26 1mwn h GLN 16 Ca -0.00 -0.06 -0.35 0.00 0.06 0.00 0.00 58.65 58.29 1mwn h GLN 16 Cb 1.07 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 1mwn h GLN 16 CO 0.08 0.64 -2.23 0.66 -0.67 0.00 0.00 178.83 177.32 1mwn n TYR 17 N -4.57 0.26 -0.36 2.96 4.01 -1.19 -4.07 117.16 114.20 1mwn n TYR 17 Ca 0.07 0.09 -0.03 0.00 -0.16 0.00 0.00 57.90 57.87 1mwn n TYR 17 Cb 0.02 -1.05 0.10 0.00 -0.31 0.00 0.00 39.34 38.10 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mwn h SER 18 N 0.00 1.15 -0.26 7.72 0.87 -1.27 -0.95 113.55 120.81 1mwn h SER 18 Ca -0.49 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1mwn h SER 18 Cb 2.17 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1mwn h SER 18 CO 0.03 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 177.81 1mwn n GLY 19 N -1.29 1.20 0.37 5.77 0.00 -0.90 -4.05 105.19 106.29 1mwn n GLY 19 Ca 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1mwn n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwn h ARG 20 N 1.65 1.31 -0.62 1.61 2.43 -1.31 -3.41 114.38 116.04 1mwn h ARG 20 Ca 0.00 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1mwn h ARG 20 Cb 0.73 -0.29 -0.19 0.00 -0.42 0.00 0.00 29.97 29.79 1mwn h ARG 20 CO 0.09 0.87 -0.22 -2.00 -1.51 0.00 0.00 179.97 177.20 1mwn s GLU 21 N -6.11 0.39 1.23 0.20 -6.30 -1.26 -5.13 118.70 101.72 1mwn s GLU 21 Ca -0.13 0.20 0.00 0.00 -2.50 0.00 0.00 54.97 52.54 1mwn s GLU 21 Cb 0.18 0.13 0.00 0.00 0.00 0.00 0.00 34.13 34.44 1mwn s GLU 21 CO 0.82 -0.67 0.00 0.41 0.02 0.00 0.00 175.26 175.83 1mwn n GLY 22 N 4.94 0.63 4.06 -1.50 0.00 -1.26 -4.77 105.19 107.28 1mwn n GLY 22 Ca 0.08 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1mwn n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mwn n ASP 23 N -3.58 -3.94 -0.19 1.61 8.00 -1.26 -4.70 116.55 112.50 1mwn n ASP 23 Ca 0.00 -0.89 -0.04 0.00 0.71 0.00 0.00 54.79 54.56 1mwn n ASP 23 Cb 0.00 -3.34 0.14 0.00 -0.02 0.00 0.00 41.12 37.90 1mwn n ASP 23 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1mwn h LYS 24 N -1.81 0.96 -0.32 -1.24 1.57 -1.86 -3.00 116.57 110.87 1mwn h LYS 24 Ca -0.59 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 57.82 1mwn h LYS 24 Cb 1.38 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1mwn h LYS 24 CO 0.72 0.84 -0.49 0.45 -0.57 0.00 0.00 179.45 180.40 1mwn h HIS 25 N 0.92 1.10 -3.09 -1.35 3.86 -1.89 -3.46 115.15 111.24 1mwn h HIS 25 Ca 0.20 -0.37 -0.40 0.00 -1.16 0.00 0.00 60.37 58.64 1mwn h HIS 25 Cb 0.29 -0.22 -0.14 0.00 1.06 0.00 0.00 27.41 28.40 1mwn h HIS 25 CO 0.02 1.20 -0.70 0.15 0.86 0.00 0.00 177.93 179.46 1mwn s LYS 26 N -4.23 1.29 -0.22 2.45 1.02 -1.13 -4.53 119.74 114.39 1mwn s LYS 26 Ca -0.11 -1.61 -0.07 0.00 0.02 0.00 0.00 55.97 54.20 1mwn s LYS 26 Cb 0.11 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.52 1mwn s LYS 26 CO 0.89 0.06 0.07 -0.51 -0.92 0.00 0.00 175.35 174.93 1mwn s LEU 27 N -3.29 3.60 0.48 3.17 1.43 0.14 -4.69 118.68 119.52 1mwn s LEU 27 Ca 0.24 -0.09 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1mwn s LEU 27 Cb 0.03 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1mwn s LEU 27 CO 0.06 0.05 0.84 -0.75 0.23 0.00 0.00 176.35 176.78 1mwn s LYS 28 N 1.12 3.69 0.31 1.70 2.20 -1.26 0.16 119.74 127.65 1mwn s LYS 28 Ca 0.04 0.47 0.07 0.00 -0.36 0.00 0.00 55.97 56.19 1mwn s LYS 28 Cb -0.14 -2.31 0.77 0.00 -1.51 0.00 0.00 37.83 34.63 1mwn s LYS 28 CO 0.03 -0.20 1.77 1.57 -0.36 0.00 0.00 175.35 178.16 1mwn h LYS 29 N 0.62 0.71 -0.76 4.03 2.10 -1.92 0.33 116.57 121.68 1mwn h LYS 29 Ca -0.47 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1mwn h LYS 29 Cb 1.19 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.32 1mwn h LYS 29 CO 0.63 0.47 0.51 1.03 -2.00 0.00 0.00 179.45 180.08 1mwn h SER 30 N 0.74 0.88 -0.49 7.07 0.87 -1.92 0.02 113.55 120.72 1mwn h SER 30 Ca 0.59 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.99 1mwn h SER 30 Cb 0.95 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1mwn h SER 30 CO -0.39 0.64 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.00 1mwn h GLU 31 N 1.04 1.01 -0.87 2.24 5.08 -0.85 -2.86 114.58 119.37 1mwn h GLU 31 Ca 0.28 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1mwn h GLU 31 Cb -0.12 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 1mwn h GLU 31 CO -0.06 1.11 0.51 1.25 -1.00 0.00 0.00 179.01 180.82 1mwn h LEU 32 N 0.87 1.05 -1.02 1.33 5.85 -0.08 -1.84 115.31 121.48 1mwn h LEU 32 Ca 0.11 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1mwn h LEU 32 Cb 0.80 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1mwn h LEU 32 CO 0.07 0.81 0.64 0.50 -0.34 0.00 0.00 178.44 180.12 1mwn h LYS 33 N 1.20 1.07 -0.49 1.25 3.64 -0.78 0.13 116.57 122.58 1mwn h LYS 33 Ca 0.31 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 1mwn h LYS 33 Cb -0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1mwn h LYS 33 CO -0.06 0.71 -0.21 1.49 -2.27 0.00 0.00 179.45 179.11 1mwn h GLU 34 N 1.10 1.01 0.02 1.90 4.57 -1.31 -0.33 114.58 121.53 1mwn h GLU 34 Ca 0.46 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1mwn h GLU 34 Cb 0.31 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1mwn h GLU 34 CO -0.21 1.11 -0.01 1.25 -1.18 0.00 0.00 179.01 179.96 1mwn h LEU 35 N 0.87 -0.03 -0.34 1.64 5.85 -0.54 1.08 115.31 123.83 1mwn h LEU 35 Ca 0.11 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 1mwn h LEU 35 Cb 0.79 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1mwn h LEU 35 CO 0.07 -0.02 -0.47 0.40 -0.34 0.00 0.00 178.44 178.08 1mwn h ILE 36 N -0.03 1.27 0.00 4.05 2.04 -1.00 -1.98 117.51 121.86 1mwn h ILE 36 Ca -0.00 -1.64 -0.09 0.00 1.00 0.00 0.00 64.86 64.13 1mwn h ILE 36 Cb 0.03 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1mwn h ILE 36 CO 0.01 0.54 -0.44 -1.13 0.00 0.00 0.00 178.15 177.13 1mwn h ASN 37 N 0.73 0.00 0.72 1.72 -0.73 -0.92 -1.93 115.58 115.17 1mwn h ASN 37 Ca 0.04 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.03 1mwn h ASN 37 Cb 1.07 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.63 1mwn h ASN 37 CO 0.11 0.40 -1.39 -1.13 -0.37 0.00 0.00 177.43 175.05 1mwn h ASN 38 N 0.00 0.00 0.17 1.15 -1.24 0.12 -3.28 115.58 112.51 1mwn h ASN 38 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.73 1mwn h ASN 38 Cb 1.31 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.31 1mwn h ASN 38 CO 0.05 0.62 -2.09 -0.62 -1.29 0.00 0.00 177.43 174.09 1mwn n GLU 39 N -2.92 0.67 -3.43 6.67 -0.58 -0.75 -4.51 120.64 115.78 1mwn n GLU 39 Ca -0.10 0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.39 1mwn n GLU 39 Cb 0.85 -1.60 -0.07 0.00 -0.57 0.00 0.00 31.44 30.05 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1mwn n LEU 40 N -2.73 4.00 0.00 -4.62 4.77 -0.73 -4.99 117.00 112.70 1mwn n LEU 40 Ca -0.23 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.36 1mwn n LEU 40 Cb 1.01 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1mwn n LEU 40 CO 0.44 1.97 0.01 -1.20 -1.33 0.00 0.00 177.39 177.28 1mwn n SER 41 N 1.06 0.00 -0.04 -1.43 7.64 -1.23 -4.01 113.62 115.61 1mwn n SER 41 Ca 0.28 0.02 0.01 0.00 1.01 0.00 0.00 58.87 60.19 1mwn n SER 41 Cb 0.39 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1mwn n SER 41 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1mwn n HIS 42 N -0.02 0.00 1.10 1.43 -0.00 -1.26 -4.01 115.22 112.46 1mwn n HIS 42 Ca 0.00 -0.32 0.12 0.00 -0.00 0.00 0.00 57.72 57.52 1mwn n HIS 42 Cb 0.00 -0.04 0.32 0.00 -0.00 0.00 0.00 29.99 30.27 1mwn n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1mwn n PHE 43 N -0.36 0.00 0.04 4.41 3.72 -1.26 -4.79 117.46 119.23 1mwn n PHE 43 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1mwn n PHE 43 Cb 0.41 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 1mwn n PHE 43 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1mwn n LEU 44 N -1.19 -0.53 -4.28 4.37 0.00 -1.26 -5.13 117.00 108.99 1mwn n LEU 44 Ca 0.08 0.16 -0.30 0.00 0.00 0.00 0.00 56.01 55.95 1mwn n LEU 44 Cb 0.34 0.71 -0.16 0.00 0.00 0.00 0.00 43.42 44.31 1mwn n LEU 44 CO 0.31 -0.44 -0.56 -1.61 0.00 0.00 0.00 177.39 175.10 1mwn s GLU 45 N -1.22 2.17 -0.16 1.96 2.02 -1.26 -5.09 118.70 117.11 1mwn s GLU 45 Ca 0.00 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.11 1mwn s GLU 45 Cb 0.00 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.24 1mwn s GLU 45 CO 0.00 0.49 -0.19 -2.00 0.02 0.00 0.00 175.26 173.57 1mwn s GLU 46 N -0.45 3.06 -0.23 1.61 2.12 -1.26 -4.25 118.70 119.31 1mwn s GLU 46 Ca 0.06 -0.82 -0.05 0.00 0.36 0.00 0.00 54.97 54.52 1mwn s GLU 46 Cb -0.11 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 1mwn s GLU 46 CO 0.00 -0.10 -0.00 0.42 -0.54 0.00 0.00 175.26 175.04 1mwn s ILE 47 N 1.06 3.72 0.00 -3.70 -1.09 -1.26 -4.87 121.20 115.06 1mwn s ILE 47 Ca -0.01 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1mwn s ILE 47 Cb -0.14 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1mwn s ILE 47 CO -0.06 0.39 0.00 2.29 -1.23 0.00 0.00 174.94 176.33 1mwn n LYS 48 N 4.82 1.50 -4.51 2.79 -0.00 -1.26 -4.97 118.16 116.53 1mwn n LYS 48 Ca -0.17 -0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.88 1mwn n LYS 48 Cb 0.51 -0.11 -0.13 0.00 -0.00 0.00 0.00 35.03 35.30 1mwn n LYS 48 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1mwn s GLU 49 N -0.21 1.31 0.45 -1.58 0.41 -1.26 -5.00 118.70 112.82 1mwn s GLU 49 Ca 0.00 -1.06 0.29 0.00 -0.41 0.00 0.00 54.97 53.79 1mwn s GLU 49 Cb 0.00 -1.51 0.98 0.00 -1.78 0.00 0.00 34.13 31.82 1mwn s GLU 49 CO 0.00 0.37 1.83 -0.56 -0.49 0.00 0.00 175.26 176.41 1mwn h GLN 50 N 4.51 0.00 -1.00 1.61 3.07 -1.99 -3.12 115.11 118.19 1mwn h GLN 50 Ca -0.45 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.30 1mwn h GLN 50 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.68 1mwn h GLN 50 CO 0.42 0.00 0.67 1.05 0.09 0.00 0.00 178.83 181.05 1mwn h GLU 51 N 0.00 1.32 -0.01 0.06 -0.00 -1.97 1.99 114.58 115.97 1mwn h GLU 51 Ca 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.28 1mwn h GLU 51 Cb 0.65 -0.30 -0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1mwn h GLU 51 CO 0.00 0.87 0.00 0.28 -0.00 0.00 0.00 179.01 180.16 1mwn h VAL 52 N 1.36 1.22 -0.99 -1.06 2.07 -1.97 0.28 116.25 117.16 1mwn h VAL 52 Ca 0.37 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1mwn h VAL 52 Cb -0.16 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1mwn h VAL 52 CO -0.08 0.17 0.64 0.58 0.02 0.00 0.00 177.57 178.90 1mwn h VAL 53 N -0.26 1.26 -0.32 2.57 2.07 -1.51 0.87 116.25 120.94 1mwn h VAL 53 Ca 0.00 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1mwn h VAL 53 Cb 0.28 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1mwn h VAL 53 CO 0.00 0.26 -0.14 -0.78 0.02 0.00 0.00 177.57 176.93 1mwn h ASP 54 N 1.35 0.67 -0.09 0.57 1.82 0.35 0.45 116.42 121.55 1mwn h ASP 54 Ca 0.36 -0.40 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 1mwn h ASP 54 Cb -0.13 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.69 1mwn h ASP 54 CO -0.08 0.92 -0.43 0.11 -1.61 0.00 0.00 179.24 178.15 1mwn h LYS 55 N 0.42 0.63 -0.20 0.28 1.57 0.05 -2.52 116.57 116.81 1mwn h LYS 55 Ca 0.07 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1mwn h LYS 55 Cb 0.66 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1mwn h LYS 55 CO 0.04 0.94 -0.43 0.28 -0.57 0.00 0.00 179.45 179.72 1mwn h VAL 56 N 0.51 1.31 -0.95 0.50 2.07 0.94 -2.70 116.25 117.93 1mwn h VAL 56 Ca 0.04 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1mwn h VAL 56 Cb 0.96 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.31 1mwn h VAL 56 CO 0.09 0.50 0.57 0.24 0.02 0.00 0.00 177.57 178.98 1mwn h MET 57 N 0.39 1.29 0.00 1.57 2.86 0.18 0.23 114.93 121.45 1mwn h MET 57 Ca 0.03 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1mwn h MET 57 Cb 0.91 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 1mwn h MET 57 CO 0.08 0.91 -0.03 0.93 1.06 0.00 0.00 176.91 179.86 1mwn h GLU 58 N 1.31 0.00 -0.26 1.72 5.08 -1.13 3.35 114.58 124.65 1mwn h GLU 58 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1mwn h GLU 58 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1mwn h GLU 58 CO -0.06 0.03 -0.60 1.15 -1.00 0.00 0.00 179.01 178.53 1mwn h THR 59 N 0.00 1.27 0.00 1.13 2.02 -0.45 -3.26 112.91 113.62 1mwn h THR 59 Ca -0.00 -1.78 -0.14 0.00 0.77 0.00 0.00 66.41 65.26 1mwn h THR 59 Cb 0.05 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1mwn h THR 59 CO 0.00 0.58 -1.43 0.18 0.37 0.00 0.00 175.52 175.22 1mwn n LEU 60 N -3.99 1.86 -2.69 2.58 4.32 -0.58 -4.52 117.00 113.98 1mwn n LEU 60 Ca -0.05 0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 56.01 1mwn n LEU 60 Cb 0.65 -0.73 -0.09 0.00 -1.62 0.00 0.00 43.42 41.64 1mwn n LEU 60 CO 0.51 -0.03 2.45 -0.67 -1.22 0.00 0.00 177.39 178.43 1mwn n ASP 61 N -4.32 6.65 0.00 -1.43 2.03 1.10 -4.47 116.55 116.12 1mwn n ASP 61 Ca -0.26 -2.48 0.05 0.00 0.52 0.00 0.00 54.79 52.63 1mwn n ASP 61 Cb 0.61 -1.41 0.29 0.00 -0.72 0.00 0.00 41.12 39.89 1mwn n ASP 61 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1mwn n GLU 62 N 3.13 0.42 0.04 -0.67 0.28 -1.21 -1.02 120.64 121.61 1mwn n GLU 62 Ca 0.58 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.48 1mwn n GLU 62 Cb 0.52 -1.37 -0.13 0.00 1.43 0.00 0.00 31.44 31.89 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1mwn h ASP 63 N 0.00 0.11 0.00 -1.84 3.32 -1.88 -3.47 116.42 112.66 1mwn h ASP 63 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1mwn h ASP 63 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1mwn h ASP 63 CO 0.00 1.13 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 1mwn n GLY 64 N 1.50 0.63 0.23 2.75 0.00 -0.19 -4.88 105.19 105.23 1mwn n GLY 64 Ca -0.10 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1mwn n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mwn n ASP 65 N 0.01 0.71 -1.97 1.61 5.68 -1.26 -4.87 116.55 116.46 1mwn n ASP 65 Ca 0.00 -1.38 -0.15 0.00 -0.50 0.00 0.00 54.79 52.76 1mwn n ASP 65 Cb 0.00 -0.02 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1mwn n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mwn n GLY 66 N 1.02 -0.18 3.05 6.12 0.00 -1.26 -5.00 105.19 108.94 1mwn n GLY 66 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1mwn n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mwn s GLU 67 N -5.10 0.46 -0.12 1.61 0.41 -1.26 -3.28 118.70 111.41 1mwn s GLU 67 Ca 0.13 -0.70 -0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1mwn s GLU 67 Cb -0.06 0.17 0.03 0.00 -1.78 0.00 0.00 34.13 32.49 1mwn s GLU 67 CO 0.16 -0.10 -0.08 0.00 -0.49 0.00 0.00 175.26 174.75 1mwn s ASP 69 N 1.67 4.34 0.26 0.00 1.01 -1.26 0.25 116.67 122.93 1mwn s ASP 69 Ca 0.05 0.83 -0.04 0.00 0.71 0.00 0.00 52.55 54.10 1mwn s ASP 69 Cb -0.13 -1.34 0.36 0.00 1.01 0.00 0.00 42.92 42.82 1mwn s ASP 69 CO -0.09 -2.02 1.90 2.19 0.21 0.00 0.00 175.17 177.36 1mwn h PHE 70 N -1.13 1.23 -0.95 4.23 -5.15 -1.97 0.32 116.94 113.51 1mwn h PHE 70 Ca -0.47 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1mwn h PHE 70 Cb 1.33 -0.41 -0.05 0.00 0.22 0.00 0.00 35.95 37.04 1mwn h PHE 70 CO 0.31 0.68 0.58 0.37 -2.00 0.00 0.00 178.31 178.25 1mwn h GLN 71 N 1.24 1.28 -0.71 6.09 4.15 -1.97 -1.96 115.11 123.23 1mwn h GLN 71 Ca 0.41 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 1mwn h GLN 71 Cb 0.06 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 1mwn h GLN 71 CO -0.14 0.89 0.16 0.93 -1.93 0.00 0.00 178.83 178.74 1mwn h GLU 72 N 1.31 1.14 -1.00 1.69 5.08 -1.34 -2.60 114.58 118.85 1mwn h GLU 72 Ca 0.34 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1mwn h GLU 72 Cb -0.06 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1mwn h GLU 72 CO -0.06 1.01 0.67 0.35 -1.00 0.00 0.00 179.01 179.97 1mwn h PHE 73 N 1.08 1.26 -0.71 4.33 3.57 -0.41 -1.93 116.94 124.14 1mwn h PHE 73 Ca 0.22 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1mwn h PHE 73 Cb 0.39 -0.43 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1mwn h PHE 73 CO 0.03 0.79 0.47 0.52 -2.23 0.00 0.00 178.31 177.89 1mwn h MET 74 N 1.36 0.93 -0.24 1.11 2.86 -1.01 -1.89 114.93 118.05 1mwn h MET 74 Ca 0.37 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.88 1mwn h MET 74 Cb -0.15 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.28 1mwn h MET 74 CO -0.08 0.62 -0.17 0.00 1.06 0.00 0.00 176.91 178.34 1mwn h ALA 75 N 1.56 1.27 -1.01 6.32 0.00 -1.23 -2.72 119.26 123.46 1mwn h ALA 75 Ca 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwn h ALA 75 Cb -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1mwn h ALA 75 CO -0.06 0.48 0.67 0.35 0.00 0.00 0.00 179.25 180.69 1mwn h PHE 76 N 0.38 1.27 -0.55 0.00 3.57 -1.19 -1.43 116.94 118.99 1mwn h PHE 76 Ca 0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1mwn h PHE 76 Cb 0.52 -0.43 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1mwn h PHE 76 CO 0.01 0.80 0.33 0.28 -2.23 0.00 0.00 178.31 177.50 1mwn h VAL 77 N 1.36 1.16 -0.94 1.41 2.07 -1.45 -1.55 116.25 118.31 1mwn h VAL 77 Ca 0.37 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1mwn h VAL 77 Cb -0.16 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 1mwn h VAL 77 CO -0.08 0.17 0.62 0.77 0.02 0.00 0.00 177.57 179.07 1mwn h SER 78 N 0.73 1.09 -0.43 0.57 4.64 -1.24 1.45 113.55 120.36 1mwn h SER 78 Ca 0.20 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1mwn h SER 78 Cb -0.01 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 1mwn h SER 78 CO -0.04 0.79 0.06 -0.03 -0.87 0.00 0.00 176.83 176.74 1mwn h MET 79 N 1.28 0.72 0.00 4.77 -1.53 -0.71 -0.74 114.93 118.72 1mwn h MET 79 Ca 0.34 -0.20 -0.20 0.00 -3.44 0.00 0.00 59.70 56.20 1mwn h MET 79 Cb -0.14 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 30.80 1mwn h MET 79 CO -0.07 0.76 -0.99 0.28 0.14 0.00 0.00 176.91 177.03 1mwn h VAL 80 N 0.58 1.62 -0.69 -5.77 2.07 -0.86 -2.89 116.25 110.30 1mwn h VAL 80 Ca 0.13 -3.31 -0.08 0.00 0.82 0.00 0.00 66.70 64.27 1mwn h VAL 80 Cb 0.40 2.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1mwn h VAL 80 CO 0.01 0.92 0.13 0.74 0.02 0.00 0.00 177.57 179.39 1mwn h THR 81 N 0.00 1.26 -0.20 2.57 2.02 0.22 0.26 112.91 119.04 1mwn h THR 81 Ca -0.02 -1.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1mwn h THR 81 Cb 1.75 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1mwn h THR 81 CO 0.12 0.39 -0.42 0.71 0.37 0.00 0.00 175.52 176.69 1mwn h THR 82 N 1.06 1.32 -0.19 3.16 1.35 -1.16 -1.36 112.91 117.08 1mwn h THR 82 Ca 0.21 -1.65 -0.11 0.00 -0.55 0.00 0.00 66.41 64.32 1mwn h THR 82 Cb 0.42 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1mwn h THR 82 CO 0.01 0.51 -0.30 0.00 -0.25 0.00 0.00 175.52 175.49 1mwn h ALA 83 N 0.60 0.29 -0.03 6.62 0.00 -1.41 -0.75 119.26 124.58 1mwn h ALA 83 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1mwn h ALA 83 Cb 1.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1mwn h ALA 83 CO 0.09 0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.67 1mwn h HIS 85 N -0.02 0.53 -0.98 0.00 6.17 -1.26 -1.44 115.15 118.15 1mwn h HIS 85 Ca 0.01 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.11 1mwn h HIS 85 Cb 0.07 -0.18 -0.05 0.00 2.52 0.00 0.00 27.41 29.77 1mwn h HIS 85 CO -0.05 0.35 0.64 1.49 0.71 0.00 0.00 177.93 181.07 1mwn h GLU 86 N 0.56 1.30 -0.84 5.26 4.81 -0.89 -1.92 114.58 122.86 1mwn h GLU 86 Ca 0.15 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1mwn h GLU 86 Cb -0.04 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.01 1mwn h GLU 86 CO -0.03 0.87 0.52 0.35 -0.73 0.00 0.00 179.01 179.98 1mwn h PHE 87 N 1.33 1.10 -0.77 0.92 3.57 -0.16 -2.53 116.94 120.40 1mwn h PHE 87 Ca 0.36 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1mwn h PHE 87 Cb -0.14 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.20 1mwn h PHE 87 CO -0.00 0.72 0.51 0.35 -2.23 0.00 0.00 178.31 177.66 1mwn h PHE 88 N 1.15 0.97 -2.82 0.41 3.57 -0.49 -3.21 116.94 116.53 1mwn h PHE 88 Ca 0.30 0.02 -0.80 0.00 3.53 0.00 0.00 57.97 61.03 1mwn h PHE 88 Cb -0.06 -0.33 -0.26 0.00 2.79 0.00 0.00 35.95 38.09 1mwn h PHE 88 CO -0.00 0.62 0.91 -1.91 -2.23 0.00 0.00 178.31 175.69 1mwn n GLU 89 N -4.54 4.07 -0.14 1.11 4.07 -0.95 -4.82 120.64 119.44 1mwn n GLU 89 Ca 0.08 -4.35 -0.10 0.00 -0.06 0.00 0.00 57.16 52.73 1mwn n GLU 89 Cb 0.02 -2.61 -0.01 0.00 -0.06 0.00 0.00 31.44 28.78 1mwn n GLU 89 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1mwn h HIS 90 N 5.88 0.67 -0.02 4.31 -0.00 -1.63 -3.47 115.15 120.89 1mwn h HIS 90 Ca 0.23 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1mwn h HIS 90 Cb 0.69 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 1mwn h HIS 90 CO 0.99 0.64 0.00 -0.85 -0.00 0.00 0.00 177.93 178.71