#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 1.31 -0.00 1.43 4.81 -2.06 -0.94 114.58 119.14 1mwn h GLU 2 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mwn h GLU 2 Cb 0.00 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 1mwn h GLU 2 CO 0.00 0.89 0.00 1.25 -0.73 0.00 0.00 179.01 180.42 1mwn h LEU 3 N 1.35 0.00 0.18 1.64 6.46 -2.05 -2.82 115.31 120.07 1mwn h LEU 3 Ca 0.36 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.11 1mwn h LEU 3 Cb -0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1mwn h LEU 3 CO -0.07 0.00 -0.09 -0.08 -0.62 0.00 0.00 178.44 177.58 1mwn h GLU 4 N 0.00 -0.24 -0.08 1.25 4.57 -1.61 0.19 114.58 118.67 1mwn h GLU 4 Ca 0.00 0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.03 1mwn h GLU 4 Cb 0.00 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1mwn h GLU 4 CO -0.00 -0.16 -0.66 1.57 -1.18 0.00 0.00 179.01 178.59 1mwn h LYS 5 N -0.25 0.31 -0.79 1.92 5.09 -1.66 -3.05 116.57 118.13 1mwn h LYS 5 Ca -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.49 1mwn h LYS 5 Cb 0.19 0.04 -0.04 0.00 0.10 0.00 0.00 32.23 32.52 1mwn h LYS 5 CO 0.04 0.86 0.51 0.00 -2.09 0.00 0.00 179.45 178.77 1mwn h ALA 6 N 1.08 1.01 -0.98 0.07 0.00 -1.23 -1.88 119.26 117.33 1mwn h ALA 6 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1mwn h ALA 6 Cb 1.20 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1mwn h ALA 6 CO 0.11 0.44 0.62 1.98 0.00 0.00 0.00 179.25 182.40 1mwn h MET 7 N 1.08 1.31 -1.00 0.00 1.85 -0.53 -1.01 114.93 116.63 1mwn h MET 7 Ca 0.29 -0.10 0.01 0.00 -0.61 0.00 0.00 59.70 59.29 1mwn h MET 7 Cb -0.10 -0.29 -0.05 0.00 0.43 0.00 0.00 31.60 31.59 1mwn h MET 7 CO -0.06 0.89 0.66 0.28 -0.40 0.00 0.00 176.91 178.28 1mwn h VAL 8 N 1.34 1.26 -0.30 -5.77 2.07 -1.30 0.28 116.25 113.82 1mwn h VAL 8 Ca 0.36 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1mwn h VAL 8 Cb -0.11 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.43 1mwn h VAL 8 CO -0.07 0.25 0.11 0.00 0.02 0.00 0.00 177.57 177.88 1mwn h ALA 9 N 1.37 0.39 -0.85 1.67 0.00 -0.65 -1.26 119.26 119.93 1mwn h ALA 9 Ca 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1mwn h ALA 9 Cb -0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1mwn h ALA 9 CO -0.08 0.00 0.42 -0.07 0.00 0.00 0.00 179.25 179.53 1mwn h LEU 10 N 0.34 1.09 -0.25 0.00 4.07 -0.47 0.33 115.31 120.42 1mwn h LEU 10 Ca 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1mwn h LEU 10 Cb 0.20 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 1mwn h LEU 10 CO -0.01 0.91 0.13 0.40 -1.08 0.00 0.00 178.44 178.79 1mwn h ILE 11 N 1.20 1.13 -0.38 1.22 2.04 -0.65 -0.36 117.51 121.71 1mwn h ILE 11 Ca 0.29 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1mwn h ILE 11 Cb 0.09 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1mwn h ILE 11 CO -0.04 0.13 -0.41 -0.78 0.00 0.00 0.00 178.15 177.05 1mwn h ASP 12 N 0.28 1.01 -0.66 1.72 1.82 -0.91 -2.76 116.42 116.92 1mwn h ASP 12 Ca 0.09 -0.47 0.03 0.00 -0.39 0.00 0.00 57.03 56.28 1mwn h ASP 12 Cb 0.10 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.79 1mwn h ASP 12 CO -0.01 1.28 0.43 0.58 -1.61 0.00 0.00 179.24 179.91 1mwn h VAL 13 N 0.76 1.10 -0.15 2.25 2.07 -0.16 0.01 116.25 122.13 1mwn h VAL 13 Ca 0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1mwn h VAL 13 Cb 1.01 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1mwn h VAL 13 CO 0.10 0.14 0.10 0.15 0.02 0.00 0.00 177.57 178.08 1mwn h PHE 14 N 0.79 0.19 -0.07 1.57 3.57 -0.78 -2.78 116.94 119.42 1mwn h PHE 14 Ca 0.26 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1mwn h PHE 14 Cb 0.06 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1mwn h PHE 14 CO -0.00 0.12 -0.48 1.25 -2.23 0.00 0.00 178.31 176.96 1mwn h HIS 15 N 0.20 0.21 -0.61 0.41 2.76 -1.16 -1.18 115.15 115.78 1mwn h HIS 15 Ca 0.05 -0.07 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1mwn h HIS 15 Cb -0.02 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1mwn h HIS 15 CO -0.07 0.63 0.41 0.37 -1.30 0.00 0.00 177.93 177.97 1mwn h GLN 16 N 0.14 0.81 0.01 5.26 4.15 -0.75 -2.18 115.11 122.55 1mwn h GLN 16 Ca 0.01 -0.05 -0.33 0.00 0.77 0.00 0.00 58.65 59.05 1mwn h GLN 16 Cb 0.91 -0.18 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 1mwn h GLN 16 CO 0.07 0.53 -2.03 0.66 -1.93 0.00 0.00 178.83 176.14 1mwn n TYR 17 N -4.66 0.58 -0.38 3.99 4.01 -1.18 -4.02 117.16 115.50 1mwn n TYR 17 Ca 0.05 0.20 -0.02 0.00 -0.16 0.00 0.00 57.90 57.96 1mwn n TYR 17 Cb 0.02 -1.10 0.11 0.00 -0.31 0.00 0.00 39.34 38.06 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 1.16 0.00 7.72 0.87 -1.21 0.11 113.55 122.21 1mwn h SER 18 Ca -0.41 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1mwn h SER 18 Cb 2.10 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1mwn h SER 18 CO 0.05 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.80 1mwn n GLY 19 N -1.37 -0.93 0.38 5.77 0.00 -0.82 -3.59 105.19 104.63 1mwn n GLY 19 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.33 -4.19 1.61 9.65 -0.90 -3.45 114.38 118.42 1mwn h ARG 20 Ca 0.00 -0.08 -0.16 0.00 -1.10 0.00 0.00 59.98 58.64 1mwn h ARG 20 Cb 0.00 -0.30 -0.13 0.00 -1.39 0.00 0.00 29.97 28.15 1mwn h ARG 20 CO 0.00 0.88 -0.43 -2.00 2.80 0.00 0.00 179.97 181.21 1mwn s GLU 21 N -6.11 1.26 0.39 0.20 2.12 -1.24 -5.14 118.70 110.19 1mwn s GLU 21 Ca -0.13 -1.43 -0.05 0.00 0.36 0.00 0.00 54.97 53.72 1mwn s GLU 21 Cb 0.18 0.34 0.08 0.00 0.26 0.00 0.00 34.13 34.99 1mwn s GLU 21 CO 0.82 -0.45 0.18 0.41 -0.54 0.00 0.00 175.26 175.68 1mwn n GLY 22 N -0.27 -2.10 3.54 -1.50 0.00 -1.26 -4.15 105.19 99.45 1mwn n GLY 22 Ca -0.01 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.74 -2.66 0.10 1.61 8.00 -1.26 -4.85 116.55 115.74 1mwn n ASP 23 Ca 0.03 -0.76 0.05 0.00 0.71 0.00 0.00 54.79 54.83 1mwn n ASP 23 Cb 0.13 -4.52 0.51 0.00 -0.02 0.00 0.00 41.12 37.21 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 -1.75 0.33 0.00 -1.24 1.57 -1.76 -1.11 116.57 112.61 1mwn h LYS 24 Ca -0.61 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1mwn h LYS 24 Cb 1.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1mwn h LYS 24 CO 0.52 0.22 0.00 0.45 -0.57 0.00 0.00 179.45 180.07 1mwn h HIS 25 N 0.34 0.00 -3.69 -1.35 3.86 -1.90 -3.44 115.15 108.97 1mwn h HIS 25 Ca 0.09 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.89 1mwn h HIS 25 Cb -0.04 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.24 1mwn h HIS 25 CO 0.00 0.00 -0.77 0.15 0.86 0.00 0.00 177.93 178.17 1mwn s LYS 26 N -3.63 0.97 -0.14 2.45 1.02 -0.42 -4.21 119.74 115.78 1mwn s LYS 26 Ca 0.02 -1.16 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 1mwn s LYS 26 Cb 0.09 -0.88 -0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1mwn s LYS 26 CO 0.55 0.18 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.54 1mwn s LEU 27 N -2.26 2.78 0.31 3.17 1.43 0.22 -4.78 118.68 119.55 1mwn s LEU 27 Ca 0.06 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1mwn s LEU 27 Cb -0.06 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1mwn s LEU 27 CO 0.03 0.14 0.56 -0.75 0.23 0.00 0.00 176.35 176.56 1mwn s LYS 28 N 0.48 3.58 0.33 1.70 2.20 -1.26 0.14 119.74 126.91 1mwn s LYS 28 Ca -0.08 -0.10 0.12 0.00 -0.36 0.00 0.00 55.97 55.55 1mwn s LYS 28 Cb -0.15 -2.64 1.03 0.00 -1.51 0.00 0.00 37.83 34.55 1mwn s LYS 28 CO 0.04 0.18 1.62 0.87 -0.36 0.00 0.00 175.35 177.70 1mwn h LYS 29 N 1.34 0.15 -0.78 4.03 1.57 -1.92 1.02 116.57 121.98 1mwn h LYS 29 Ca -0.48 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.24 1mwn h LYS 29 Cb 1.20 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1mwn h LYS 29 CO 0.65 0.10 0.29 0.66 -0.57 0.00 0.00 179.45 180.57 1mwn h SER 30 N 0.15 1.10 -0.39 0.86 4.64 -1.92 0.15 113.55 118.15 1mwn h SER 30 Ca 0.71 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 61.68 1mwn h SER 30 Cb 1.66 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 1mwn h SER 30 CO -0.72 0.99 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.52 1mwn h GLU 31 N 1.15 0.95 0.00 4.77 5.08 0.64 -2.86 114.58 124.31 1mwn h GLU 31 Ca 0.26 -0.50 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1mwn h GLU 31 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1mwn h GLU 31 CO -0.02 1.16 -0.45 1.25 -1.00 0.00 0.00 179.01 179.95 1mwn h LEU 32 N 0.77 0.00 -1.01 1.33 5.85 -0.77 -2.73 115.31 118.76 1mwn h LEU 32 Ca 0.06 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1mwn h LEU 32 Cb 0.98 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1mwn h LEU 32 CO 0.10 0.45 0.66 0.50 -0.34 0.00 0.00 178.44 179.80 1mwn h LYS 33 N 0.00 1.23 -0.65 1.25 3.64 -0.73 -0.22 116.57 121.08 1mwn h LYS 33 Ca -0.00 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1mwn h LYS 33 Cb 0.85 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1mwn h LYS 33 CO 0.06 0.81 0.07 0.93 -2.27 0.00 0.00 179.45 179.05 1mwn h GLU 34 N 1.27 1.11 0.24 1.90 4.39 -1.42 0.66 114.58 122.72 1mwn h GLU 34 Ca 0.40 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1mwn h GLU 34 Cb 0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1mwn h GLU 34 CO -0.13 1.03 -0.21 1.25 -1.16 0.00 0.00 179.01 179.80 1mwn h LEU 35 N 1.03 -0.54 -0.27 1.33 7.12 -1.02 0.21 115.31 123.16 1mwn h LEU 35 Ca 0.19 0.05 -0.12 0.00 0.13 0.00 0.00 57.88 58.13 1mwn h LEU 35 Cb 0.49 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1mwn h LEU 35 CO 0.02 -0.31 -0.29 0.40 -0.13 0.00 0.00 178.44 178.13 1mwn h ILE 36 N -0.46 1.31 -0.00 4.05 2.04 -0.96 -0.86 117.51 122.63 1mwn h ILE 36 Ca -0.01 -1.46 -0.14 0.00 1.00 0.00 0.00 64.86 64.25 1mwn h ILE 36 Cb 0.42 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1mwn h ILE 36 CO -0.03 0.46 -0.68 -1.13 0.00 0.00 0.00 178.15 176.77 1mwn h ASN 37 N 0.39 0.02 0.78 1.72 -1.24 -0.81 0.30 115.58 116.74 1mwn h ASN 37 Ca 0.04 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1mwn h ASN 37 Cb 0.86 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1mwn h ASN 37 CO 0.07 0.69 -0.94 0.59 -1.29 0.00 0.00 177.43 176.55 1mwn n ASN 38 N -3.73 0.71 -0.06 1.15 5.03 0.72 -2.93 115.26 116.14 1mwn n ASN 38 Ca -0.01 0.13 -0.06 0.00 0.87 0.00 0.00 54.58 55.50 1mwn n ASN 38 Cb 0.67 0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 39.84 1mwn n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1mwn n GLU 39 N -2.32 1.93 -1.05 3.52 0.00 -0.33 -4.54 120.64 117.86 1mwn n GLU 39 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 57.16 57.07 1mwn n GLU 39 Cb 0.49 -1.32 0.16 0.00 0.00 0.00 0.00 31.44 30.77 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1mwn n LEU 40 N -2.47 4.49 0.00 4.31 4.77 0.10 -4.85 117.00 123.36 1mwn n LEU 40 Ca -0.21 -4.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.78 1mwn n LEU 40 Cb 0.91 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1mwn n LEU 40 CO 0.27 1.44 0.00 -1.20 -1.33 0.00 0.00 177.39 176.56 1mwn n SER 41 N -1.05 0.00 -0.01 -1.43 7.64 -1.15 -3.60 113.62 114.03 1mwn n SER 41 Ca 0.37 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.35 1mwn n SER 41 Cb 0.98 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.00 0.00 0.21 1.43 8.25 -1.26 -3.83 115.22 120.01 1mwn n HIS 42 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1mwn n HIS 42 Cb 0.00 -0.30 0.44 0.00 1.12 0.00 0.00 29.99 31.25 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1mwn h PHE 43 N 0.00 0.00 -0.88 4.41 0.04 -1.90 -3.46 116.94 115.16 1mwn h PHE 43 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1mwn h PHE 43 Cb 0.75 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1mwn h PHE 43 CO 0.00 0.27 0.00 1.28 -0.60 0.00 0.00 178.31 179.26 1mwn n LEU 44 N -4.22 0.00 -4.58 1.54 4.77 -1.24 -5.10 117.00 108.17 1mwn n LEU 44 Ca -0.02 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.50 1mwn n LEU 44 Cb 0.32 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1mwn n LEU 44 CO 0.37 0.00 0.59 1.21 -1.33 0.00 0.00 177.39 178.24 1mwn n GLU 45 N 0.00 1.26 -3.95 3.23 0.00 -1.26 -4.69 120.64 115.24 1mwn n GLU 45 Ca 0.00 0.44 -0.35 0.00 0.00 0.00 0.00 57.16 57.25 1mwn n GLU 45 Cb 0.00 -1.84 -0.10 0.00 0.00 0.00 0.00 31.44 29.50 1mwn n GLU 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1mwn s GLU 46 N -1.20 3.94 -0.38 5.31 -1.05 -1.25 -4.42 118.70 119.65 1mwn s GLU 46 Ca 0.63 -0.35 -0.18 0.00 -0.15 0.00 0.00 54.97 54.91 1mwn s GLU 46 Cb -0.75 -3.26 0.01 0.00 -0.44 0.00 0.00 34.13 29.69 1mwn s GLU 46 CO 0.58 0.20 0.50 0.42 0.95 0.00 0.00 175.26 177.90 1mwn s ILE 47 N 0.59 5.02 0.00 1.83 -1.09 -1.26 -4.80 121.20 121.49 1mwn s ILE 47 Ca 0.04 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1mwn s ILE 47 Cb -0.13 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1mwn s ILE 47 CO 0.01 -0.32 0.00 2.29 -1.23 0.00 0.00 174.94 175.69 1mwn n LYS 48 N 5.76 4.27 -5.00 2.79 0.00 -1.26 -4.88 118.16 119.84 1mwn n LYS 48 Ca -0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.99 1mwn n LYS 48 Cb 0.48 -0.48 -0.16 0.00 -0.00 0.00 0.00 35.03 34.88 1mwn n LYS 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1mwn s GLU 49 N -0.90 1.67 0.55 -1.58 2.56 -1.26 -5.02 118.70 114.72 1mwn s GLU 49 Ca 0.00 -0.74 0.33 0.00 0.00 0.00 0.00 54.97 54.56 1mwn s GLU 49 Cb 0.00 -1.61 1.55 0.00 2.00 0.00 0.00 34.13 36.07 1mwn s GLU 49 CO 0.00 0.44 2.07 -0.56 -0.56 0.00 0.00 175.26 176.65 1mwn h GLN 50 N 5.62 0.00 -1.00 4.30 3.07 -1.99 -2.86 115.11 122.24 1mwn h GLN 50 Ca -0.39 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.36 1mwn h GLN 50 Cb 1.14 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.65 1mwn h GLN 50 CO 0.48 0.06 0.66 1.05 0.09 0.00 0.00 178.83 181.17 1mwn h GLU 51 N 0.00 1.33 0.00 0.06 4.11 -1.97 1.41 114.58 119.52 1mwn h GLU 51 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1mwn h GLU 51 Cb 0.39 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1mwn h GLU 51 CO 0.01 0.88 -0.00 0.28 0.07 0.00 0.00 179.01 180.25 1mwn h VAL 52 N 1.36 1.06 -0.75 -1.06 2.07 -1.92 1.35 116.25 118.37 1mwn h VAL 52 Ca 0.37 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1mwn h VAL 52 Cb -0.15 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1mwn h VAL 52 CO -0.08 0.05 0.48 0.58 0.02 0.00 0.00 177.57 178.62 1mwn h VAL 53 N -0.08 1.20 -0.26 2.57 2.07 -1.43 2.18 116.25 122.51 1mwn h VAL 53 Ca -0.00 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1mwn h VAL 53 Cb 0.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1mwn h VAL 53 CO 0.00 0.20 -0.12 -0.78 0.02 0.00 0.00 177.57 176.89 1mwn h ASP 54 N 1.01 0.55 -0.45 0.57 1.82 0.25 1.21 116.42 121.37 1mwn h ASP 54 Ca 0.27 -0.41 -0.13 0.00 -0.39 0.00 0.00 57.03 56.38 1mwn h ASP 54 Cb -0.09 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1mwn h ASP 54 CO -0.06 0.83 -0.21 0.50 -1.61 0.00 0.00 179.24 178.70 1mwn h LYS 55 N 0.26 0.96 -0.25 0.28 3.64 0.23 0.54 116.57 122.23 1mwn h LYS 55 Ca 0.06 -0.40 -0.15 0.00 -1.27 0.00 0.00 60.65 58.89 1mwn h LYS 55 Cb 0.63 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1mwn h LYS 55 CO 0.04 1.07 -0.44 0.28 -2.27 0.00 0.00 179.45 178.13 1mwn h VAL 56 N 0.84 1.30 -0.34 2.00 2.07 0.37 -2.29 116.25 120.21 1mwn h VAL 56 Ca 0.11 -1.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.83 1mwn h VAL 56 Cb 0.77 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1mwn h VAL 56 CO 0.06 0.52 -0.47 0.24 0.02 0.00 0.00 177.57 177.94 1mwn h MET 57 N 0.51 0.91 -0.06 1.57 2.86 0.18 -1.88 114.93 119.02 1mwn h MET 57 Ca 0.04 -0.53 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1mwn h MET 57 Cb 0.97 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 1mwn h MET 57 CO 0.09 1.17 0.06 1.49 1.06 0.00 0.00 176.91 180.78 1mwn h GLU 58 N 0.72 0.00 -0.22 1.72 4.81 0.27 3.25 114.58 125.13 1mwn h GLU 58 Ca 0.04 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1mwn h GLU 58 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 1mwn h GLU 58 CO 0.11 0.00 -0.60 1.15 -0.73 0.00 0.00 179.01 178.94 1mwn h THR 59 N 0.00 1.30 0.00 0.32 2.02 -0.77 -3.20 112.91 112.58 1mwn h THR 59 Ca 0.03 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1mwn h THR 59 Cb 0.15 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1mwn h THR 59 CO -0.00 0.58 -0.94 0.18 0.37 0.00 0.00 175.52 175.71 1mwn n LEU 60 N -3.97 1.85 -2.92 2.58 4.77 0.20 -4.49 117.00 115.02 1mwn n LEU 60 Ca -0.04 0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 1mwn n LEU 60 Cb 0.65 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1mwn n LEU 60 CO 0.50 -0.29 2.38 -0.67 -1.33 0.00 0.00 177.39 177.98 1mwn n ASP 61 N -4.39 5.78 0.00 -1.43 2.03 1.06 -4.48 116.55 115.13 1mwn n ASP 61 Ca -0.13 -2.37 0.04 0.00 0.52 0.00 0.00 54.79 52.85 1mwn n ASP 61 Cb 0.49 -1.22 0.25 0.00 -0.72 0.00 0.00 41.12 39.91 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 3.57 0.36 0.09 -0.67 0.28 -1.21 -0.81 120.64 122.25 1mwn n GLU 62 Ca 0.51 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.43 1mwn n GLU 62 Cb 0.32 -1.36 -0.02 0.00 1.43 0.00 0.00 31.44 31.80 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 0.19 0.00 -1.84 3.32 -1.87 -3.46 116.42 112.75 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 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1mwn h ASP 63 CO 0.00 0.99 0.00 0.61 -1.72 0.00 0.00 179.24 179.12 1mwn n GLY 64 N 0.94 0.61 0.20 2.75 0.00 0.01 -4.87 105.19 104.83 1mwn n GLY 64 Ca -0.03 -0.05 0.12 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 0.10 0.62 -2.65 1.61 5.75 -1.26 -4.86 116.55 115.85 1mwn n ASP 65 Ca 0.00 -1.42 -0.20 0.00 -0.01 0.00 0.00 54.79 53.16 1mwn n ASP 65 Cb 0.00 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1mwn n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mwn n GLY 66 N 0.97 -0.43 2.98 6.12 0.00 -1.26 -4.98 105.19 108.59 1mwn n GLY 66 Ca 0.17 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 1mwn n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mwn s GLU 67 N -5.45 0.19 -0.11 1.61 2.56 -1.26 -2.96 118.70 113.29 1mwn s GLU 67 Ca 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 54.97 55.11 1mwn s GLU 67 Cb -0.09 0.08 0.02 0.00 2.00 0.00 0.00 34.13 36.13 1mwn s GLU 67 CO 0.26 -0.03 -0.13 0.00 -0.56 0.00 0.00 175.26 174.80 1mwn s ASP 69 N 1.14 4.63 0.26 0.00 -4.77 -1.26 0.69 116.67 117.36 1mwn s ASP 69 Ca -0.04 0.11 -0.04 0.00 -3.30 0.00 0.00 52.55 49.28 1mwn s ASP 69 Cb -0.14 -0.68 0.35 0.00 -1.09 0.00 0.00 42.92 41.36 1mwn s ASP 69 CO -0.03 -1.67 1.90 2.19 0.70 0.00 0.00 175.17 178.26 1mwn h PHE 70 N -0.52 1.23 -0.74 2.11 -5.15 -1.95 0.87 116.94 112.79 1mwn h PHE 70 Ca -0.42 0.03 0.01 0.00 -0.20 0.00 0.00 57.97 57.39 1mwn h PHE 70 Cb 1.29 -0.41 -0.04 0.00 0.22 0.00 0.00 35.95 37.02 1mwn h PHE 70 CO 0.06 0.69 0.49 0.37 -2.00 0.00 0.00 178.31 177.92 1mwn h GLN 71 N 1.25 0.98 -0.37 6.09 4.15 -1.94 -0.97 115.11 124.29 1mwn h GLN 71 Ca 0.41 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.60 1mwn h GLN 71 Cb 0.04 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 1mwn h GLN 71 CO -0.14 0.65 -0.41 0.93 -1.93 0.00 0.00 178.83 177.93 1mwn h GLU 72 N 1.01 0.94 -0.98 1.69 5.08 -1.62 -3.05 114.58 117.65 1mwn h GLU 72 Ca 0.27 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1mwn h GLU 72 Cb -0.11 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1mwn h GLU 72 CO -0.06 1.16 0.63 0.35 -1.00 0.00 0.00 179.01 180.10 1mwn h PHE 73 N 0.76 1.25 -0.48 4.33 3.57 -0.43 -1.52 116.94 124.42 1mwn h PHE 73 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1mwn h PHE 73 Cb 1.01 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1mwn h PHE 73 CO 0.07 0.80 0.32 0.52 -2.23 0.00 0.00 178.31 177.79 1mwn h MET 74 N 1.34 0.64 0.00 1.11 2.86 -1.08 0.15 114.93 119.94 1mwn h MET 74 Ca 0.36 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.91 1mwn h MET 74 Cb -0.13 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1mwn h MET 74 CO -0.07 0.42 -0.26 0.00 1.06 0.00 0.00 176.91 178.06 1mwn h ALA 75 N 1.70 1.37 -0.84 6.32 0.00 -1.23 -2.49 119.26 124.09 1mwn h ALA 75 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mwn h ALA 75 Cb -0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1mwn h ALA 75 CO -0.04 0.32 0.56 0.35 0.00 0.00 0.00 179.25 180.44 1mwn h PHE 76 N 0.00 1.06 -0.53 0.00 3.57 -0.78 0.14 116.94 120.39 1mwn h PHE 76 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1mwn h PHE 76 Cb 0.52 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1mwn h PHE 76 CO 0.00 0.67 0.29 0.28 -2.23 0.00 0.00 178.31 177.32 1mwn h VAL 77 N 1.14 1.18 -0.21 1.41 2.07 -1.43 -0.53 116.25 119.88 1mwn h VAL 77 Ca 0.31 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1mwn h VAL 77 Cb -0.13 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1mwn h VAL 77 CO -0.07 0.19 0.14 -1.28 0.02 0.00 0.00 177.57 176.57 1mwn h SER 78 N 0.71 0.24 -0.46 0.57 0.87 -1.15 1.91 113.55 116.25 1mwn h SER 78 Ca 0.19 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1mwn h SER 78 Cb 0.05 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1mwn h SER 78 CO -0.03 0.18 0.27 -0.03 -0.53 0.00 0.00 176.83 176.68 1mwn h MET 79 N 0.29 0.63 0.00 2.24 -1.53 -0.41 0.42 114.93 116.57 1mwn h MET 79 Ca 0.08 -0.06 -0.20 0.00 -3.44 0.00 0.00 59.70 56.07 1mwn h MET 79 Cb -0.03 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 30.86 1mwn h MET 79 CO -0.02 0.48 -0.95 0.28 0.14 0.00 0.00 176.91 176.84 1mwn h VAL 80 N 0.60 1.65 -0.53 -5.77 2.07 -0.83 -2.66 116.25 110.79 1mwn h VAL 80 Ca 0.16 -3.31 -0.12 0.00 0.82 0.00 0.00 66.70 64.25 1mwn h VAL 80 Cb 0.02 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1mwn h VAL 80 CO -0.03 0.94 -0.15 0.74 0.02 0.00 0.00 177.57 179.09 1mwn h THR 81 N 0.00 1.27 -0.53 2.57 2.02 0.34 -2.30 112.91 116.28 1mwn h THR 81 Ca -0.01 -1.32 -0.12 0.00 0.77 0.00 0.00 66.41 65.73 1mwn h THR 81 Cb 1.73 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 1mwn h THR 81 CO 0.12 0.46 -0.15 0.71 0.37 0.00 0.00 175.52 177.04 1mwn h THR 82 N 0.91 1.27 -0.68 3.16 1.35 -0.17 -1.20 112.91 117.55 1mwn h THR 82 Ca 0.13 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1mwn h THR 82 Cb 0.73 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 1mwn h THR 82 CO 0.06 0.46 0.36 0.00 -0.25 0.00 0.00 175.52 176.15 1mwn h ALA 83 N 0.91 0.88 -0.20 6.62 0.00 -1.31 0.14 119.26 126.29 1mwn h ALA 83 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1mwn h ALA 83 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1mwn h ALA 83 CO 0.06 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.75 1mwn h HIS 85 N 0.14 1.15 -0.95 0.00 6.17 -0.87 -2.23 115.15 118.56 1mwn h HIS 85 Ca 0.06 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1mwn h HIS 85 Cb 0.29 -0.39 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 1mwn h HIS 85 CO 0.01 0.73 0.57 0.93 0.71 0.00 0.00 177.93 180.89 1mwn h GLU 86 N 1.24 1.29 -5.95 5.26 4.39 -0.48 -3.39 114.58 116.95 1mwn h GLU 86 Ca 0.34 -0.12 -0.55 0.00 0.34 0.00 0.00 59.36 59.37 1mwn h GLU 86 Cb -0.14 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.23 1mwn h GLU 86 CO -0.07 0.91 1.48 0.12 -1.16 0.00 0.00 179.01 180.28 1mwn s PHE 87 N -5.96 1.28 0.00 4.33 5.36 -0.82 -4.93 117.98 117.25 1mwn s PHE 87 Ca -0.13 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 1mwn s PHE 87 Cb 0.17 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 38.97 1mwn s PHE 87 CO 0.83 -3.40 0.00 0.34 -1.46 0.00 0.00 175.22 171.52 1mwn n PHE 88 N 12.54 0.00 -3.35 10.12 7.35 -1.26 -4.98 117.46 137.87 1mwn n PHE 88 Ca 0.30 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.56 1mwn n PHE 88 Cb 0.48 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.22 1mwn n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1mwn s GLU 89 N 2.60 3.18 0.23 -4.13 2.02 -1.26 -4.94 118.70 116.39 1mwn s GLU 89 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.19 1mwn s GLU 89 Cb 0.00 -3.94 0.21 0.00 0.10 0.00 0.00 34.13 30.50 1mwn s GLU 89 CO 0.00 -0.77 1.90 1.25 0.02 0.00 0.00 175.26 177.65 1mwn h HIS 90 N 8.66 1.13 0.00 1.61 -0.00 -2.02 -3.57 115.15 120.97 1mwn h HIS 90 Ca -0.27 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1mwn h HIS 90 Cb 1.12 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1mwn h HIS 90 CO 0.63 0.73 0.00 0.39 -0.00 0.00 0.00 177.93 179.67