#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 1.33 0.00 -1.46 4.81 -2.06 -0.45 114.58 116.74 1mwn h GLU 2 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1mwn h GLU 2 Cb 0.00 -0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.08 1mwn h GLU 2 CO 0.00 0.88 0.44 1.25 -0.73 0.00 0.00 179.01 180.85 1mwn h LEU 3 N 1.37 0.00 0.08 1.64 5.85 -2.04 -1.77 115.31 120.43 1mwn h LEU 3 Ca 0.37 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 1mwn h LEU 3 Cb -0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1mwn h LEU 3 CO -0.08 0.00 -0.04 -0.08 -0.34 0.00 0.00 178.44 177.90 1mwn h GLU 4 N 0.00 -0.11 -0.31 1.25 4.81 -1.51 0.66 114.58 119.37 1mwn h GLU 4 Ca 0.00 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1mwn h GLU 4 Cb 0.88 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1mwn h GLU 4 CO 0.00 -0.07 -0.53 1.57 -0.73 0.00 0.00 179.01 179.25 1mwn h LYS 5 N -0.11 0.90 -0.53 1.92 2.10 -1.51 -2.91 116.57 116.42 1mwn h LYS 5 Ca -0.01 -0.56 -0.05 0.00 -2.00 0.00 0.00 60.65 58.04 1mwn h LYS 5 Cb 0.09 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 1mwn h LYS 5 CO 0.02 1.20 0.15 0.00 -2.00 0.00 0.00 179.45 178.81 1mwn h ALA 6 N 0.69 0.70 -0.54 0.07 0.00 -1.41 -1.79 119.26 116.97 1mwn h ALA 6 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mwn h ALA 6 Cb 1.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1mwn h ALA 6 CO 0.12 0.38 0.36 1.98 0.00 0.00 0.00 179.25 182.09 1mwn h MET 7 N 0.74 0.71 -0.99 0.00 1.85 0.34 -0.62 114.93 116.96 1mwn h MET 7 Ca 0.17 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 59.22 1mwn h MET 7 Cb 0.31 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.13 1mwn h MET 7 CO -0.00 0.47 0.65 0.28 -0.40 0.00 0.00 176.91 177.91 1mwn h VAL 8 N 0.73 1.26 -0.32 -5.77 2.07 -1.32 -2.32 116.25 110.59 1mwn h VAL 8 Ca 0.20 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1mwn h VAL 8 Cb -0.08 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.48 1mwn h VAL 8 CO -0.04 0.25 0.17 0.00 0.02 0.00 0.00 177.57 177.97 1mwn h ALA 9 N 1.36 0.41 -0.87 1.67 0.00 -0.39 -2.00 119.26 119.44 1mwn h ALA 9 Ca 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1mwn h ALA 9 Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1mwn h ALA 9 CO -0.08 -0.04 0.57 -0.07 0.00 0.00 0.00 179.25 179.63 1mwn h LEU 10 N 0.39 1.00 -0.77 0.00 4.07 -0.64 0.26 115.31 119.62 1mwn h LEU 10 Ca 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1mwn h LEU 10 Cb 0.09 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 1mwn h LEU 10 CO -0.02 0.72 0.41 0.40 -1.08 0.00 0.00 178.44 178.88 1mwn h ILE 11 N 1.17 1.24 -0.45 1.22 2.04 -1.15 -0.09 117.51 121.49 1mwn h ILE 11 Ca 0.32 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 1mwn h ILE 11 Cb -0.13 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1mwn h ILE 11 CO -0.07 0.27 -0.26 0.44 0.00 0.00 0.00 178.15 178.53 1mwn h ASP 12 N 1.08 0.98 -1.00 1.72 3.32 -0.60 -2.67 116.42 119.25 1mwn h ASP 12 Ca 0.27 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1mwn h ASP 12 Cb 0.06 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1mwn h ASP 12 CO -0.04 1.18 0.66 0.58 -1.72 0.00 0.00 179.24 179.90 1mwn h VAL 13 N 0.81 1.25 -0.44 -1.35 2.07 0.10 0.10 116.25 118.79 1mwn h VAL 13 Ca 0.10 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1mwn h VAL 13 Cb 0.83 -0.22 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1mwn h VAL 13 CO 0.07 0.25 -0.32 0.15 0.02 0.00 0.00 177.57 177.74 1mwn h PHE 14 N 1.35 -0.88 0.00 1.57 3.04 -0.67 -0.96 116.94 120.40 1mwn h PHE 14 Ca 0.37 0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.32 1mwn h PHE 14 Cb -0.15 0.45 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1mwn h PHE 14 CO -0.00 -0.38 -0.27 0.45 -2.02 0.00 0.00 178.31 176.10 1mwn h HIS 15 N -0.22 0.00 -0.38 0.41 3.86 -1.40 -2.60 115.15 114.82 1mwn h HIS 15 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1mwn h HIS 15 Cb 0.54 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1mwn h HIS 15 CO -0.56 0.27 0.25 0.37 0.86 0.00 0.00 177.93 179.13 1mwn h GLN 16 N 0.00 0.50 0.00 2.45 5.75 0.61 -2.76 115.11 121.66 1mwn h GLN 16 Ca -0.00 -0.03 -0.33 0.00 -0.15 0.00 0.00 58.65 58.14 1mwn h GLN 16 Cb 1.14 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.51 1mwn h GLN 16 CO 0.03 0.33 -2.25 2.48 -2.65 0.00 0.00 178.83 176.78 1mwn n TYR 17 N -4.82 0.00 -0.26 3.99 4.11 -1.13 -4.45 117.16 114.60 1mwn n TYR 17 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.86 1mwn n TYR 17 Cb 0.02 -0.88 0.12 0.00 -0.00 0.00 0.00 39.34 38.60 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1mwn h SER 18 N 0.00 1.02 0.00 9.48 4.64 -1.56 -2.24 113.55 124.89 1mwn h SER 18 Ca -0.49 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1mwn h SER 18 Cb 1.99 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1mwn h SER 18 CO -0.01 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1mwn n GLY 19 N -0.98 -0.88 0.27 -0.77 0.00 -1.04 -3.67 105.19 98.12 1mwn n GLY 19 Ca 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1mwn n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwn h ARG 20 N 0.00 0.95 -2.67 1.61 3.08 -1.62 -3.47 114.38 112.26 1mwn h ARG 20 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1mwn h ARG 20 Cb 0.00 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 29.93 1mwn h ARG 20 CO 0.00 1.16 0.28 -2.00 -1.07 0.00 0.00 179.97 178.33 1mwn s GLU 21 N -4.40 1.13 1.63 0.04 2.56 -1.24 -5.14 118.70 113.27 1mwn s GLU 21 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.55 1mwn s GLU 21 Cb 0.11 0.52 0.00 0.00 2.00 0.00 0.00 34.13 36.77 1mwn s GLU 21 CO 0.88 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 175.52 1mwn n GLY 22 N -0.14 -1.61 3.78 -1.50 0.00 -1.26 -4.82 105.19 99.64 1mwn n GLY 22 Ca -0.15 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1mwn n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mwn s ASP 23 N -4.00 7.35 0.44 1.61 1.01 -1.26 -4.95 116.67 116.86 1mwn s ASP 23 Ca 0.00 1.62 0.21 0.00 0.71 0.00 0.00 52.55 55.09 1mwn s ASP 23 Cb 0.00 -2.49 1.00 0.00 1.01 0.00 0.00 42.92 42.44 1mwn s ASP 23 CO 0.00 0.19 1.89 0.11 0.21 0.00 0.00 175.17 177.57 1mwn h LYS 24 N 4.20 0.00 -0.13 8.23 1.57 -1.88 -2.98 116.57 125.58 1mwn h LYS 24 Ca -0.47 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1mwn h LYS 24 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1mwn h LYS 24 CO 0.66 0.26 -0.63 0.45 -0.57 0.00 0.00 179.45 179.62 1mwn h HIS 25 N 0.00 0.62 -2.67 -1.35 3.86 -1.94 -3.46 115.15 110.22 1mwn h HIS 25 Ca -0.00 -0.24 -0.50 0.00 -1.16 0.00 0.00 60.37 58.47 1mwn h HIS 25 Cb 0.62 -0.11 -0.14 0.00 1.06 0.00 0.00 27.41 28.84 1mwn h HIS 25 CO 0.00 0.98 -0.74 0.15 0.86 0.00 0.00 177.93 179.18 1mwn s LYS 26 N -3.83 1.44 -0.16 2.45 1.02 -1.13 -4.36 119.74 115.17 1mwn s LYS 26 Ca -0.07 -1.65 0.01 0.00 0.02 0.00 0.00 55.97 54.28 1mwn s LYS 26 Cb 0.11 -1.32 0.01 0.00 -0.52 0.00 0.00 37.83 36.11 1mwn s LYS 26 CO 0.84 0.22 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.79 1mwn s LEU 27 N -3.38 2.22 0.27 3.17 1.43 0.07 -4.25 118.68 118.21 1mwn s LEU 27 Ca 0.25 -0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 1mwn s LEU 27 Cb -0.02 -1.50 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1mwn s LEU 27 CO 0.09 0.04 0.69 -0.75 0.23 0.00 0.00 176.35 176.65 1mwn s LYS 28 N 1.06 4.03 0.46 1.70 2.20 -1.26 0.72 119.74 128.65 1mwn s LYS 28 Ca -0.01 0.64 0.33 0.00 -0.36 0.00 0.00 55.97 56.58 1mwn s LYS 28 Cb -0.14 -2.62 1.47 0.00 -1.51 0.00 0.00 37.83 35.03 1mwn s LYS 28 CO -0.06 0.27 1.63 1.57 -0.36 0.00 0.00 175.35 178.39 1mwn h LYS 29 N 2.69 0.07 -0.86 4.03 2.10 -1.93 1.59 116.57 124.28 1mwn h LYS 29 Ca -0.48 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.14 1mwn h LYS 29 Cb 1.18 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 1mwn h LYS 29 CO 0.66 0.05 0.41 0.66 -2.00 0.00 0.00 179.45 179.23 1mwn h SER 30 N 0.07 1.12 -0.42 7.07 4.64 -1.91 0.36 113.55 124.48 1mwn h SER 30 Ca 0.82 -0.14 -0.15 0.00 -0.47 0.00 0.00 61.79 61.85 1mwn h SER 30 Cb 2.71 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 64.51 1mwn h SER 30 CO -0.34 0.94 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.90 1mwn h GLU 31 N 1.22 0.97 -0.76 4.77 5.08 0.19 -2.67 114.58 123.38 1mwn h GLU 31 Ca 0.29 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1mwn h GLU 31 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1mwn h GLU 31 CO -0.04 1.14 0.45 1.25 -1.00 0.00 0.00 179.01 180.81 1mwn h LEU 32 N 0.80 0.92 -1.01 1.33 5.85 -0.38 -1.17 115.31 121.65 1mwn h LEU 32 Ca 0.08 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.92 1mwn h LEU 32 Cb 0.92 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 1mwn h LEU 32 CO 0.09 0.71 0.62 0.50 -0.34 0.00 0.00 178.44 180.02 1mwn h LYS 33 N 1.05 0.79 -0.30 1.25 1.63 0.05 0.18 116.57 121.23 1mwn h LYS 33 Ca 0.27 -0.05 -0.18 0.00 -0.85 0.00 0.00 60.65 59.85 1mwn h LYS 33 Cb -0.03 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.42 1mwn h LYS 33 CO -0.05 0.53 -0.50 0.93 -3.45 0.00 0.00 179.45 176.90 1mwn h GLU 34 N 0.82 0.87 0.00 1.90 4.39 -1.20 -1.65 114.58 119.71 1mwn h GLU 34 Ca 0.56 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1mwn h GLU 34 Cb 0.81 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1mwn h GLU 34 CO -0.35 1.17 -0.00 1.25 -1.16 0.00 0.00 179.01 179.92 1mwn h LEU 35 N 0.66 -0.00 -0.31 1.33 5.85 -0.24 1.31 115.31 123.90 1mwn h LEU 35 Ca 0.02 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1mwn h LEU 35 Cb 1.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1mwn h LEU 35 CO 0.11 -0.00 -0.36 0.40 -0.34 0.00 0.00 178.44 178.25 1mwn h ILE 36 N -0.01 1.29 0.00 4.05 2.04 -1.06 -1.81 117.51 122.01 1mwn h ILE 36 Ca -0.00 -1.54 -0.06 0.00 1.00 0.00 0.00 64.86 64.26 1mwn h ILE 36 Cb 0.01 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1mwn h ILE 36 CO 0.00 0.50 -0.69 -1.13 0.00 0.00 0.00 178.15 176.83 1mwn h ASN 37 N 0.56 0.00 0.13 1.72 -0.73 -1.19 -2.07 115.58 114.00 1mwn h ASN 37 Ca 0.04 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.91 1mwn h ASN 37 Cb 0.95 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1mwn h ASN 37 CO 0.09 0.24 -1.58 -1.13 -0.37 0.00 0.00 177.43 174.68 1mwn h ASN 38 N 0.00 0.42 0.39 1.15 -0.00 0.17 -3.00 115.58 114.71 1mwn h ASN 38 Ca -0.03 -0.87 -0.32 0.00 -0.00 0.00 0.00 56.30 55.08 1mwn h ASN 38 Cb 1.21 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 39.40 1mwn h ASN 38 CO 0.03 1.69 -1.55 -0.33 -0.00 0.00 0.00 177.43 177.27 1mwn h GLU 39 N -0.19 0.32 -2.54 6.67 4.39 -1.43 -3.38 114.58 118.42 1mwn h GLU 39 Ca -0.34 -0.54 -0.61 0.00 0.34 0.00 0.00 59.36 58.21 1mwn h GLU 39 Cb 1.86 0.20 -0.42 0.00 -0.10 0.00 0.00 28.75 30.29 1mwn h GLU 39 CO 0.08 1.21 -0.56 1.28 -1.16 0.00 0.00 179.01 179.86 1mwn n LEU 40 N -3.52 3.56 0.00 1.33 4.77 -0.78 -4.94 117.00 117.42 1mwn n LEU 40 Ca -0.18 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.44 1mwn n LEU 40 Cb 1.06 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1mwn n LEU 40 CO 0.52 1.94 0.27 -1.20 -1.33 0.00 0.00 177.39 177.59 1mwn n SER 41 N 1.26 0.00 0.00 -1.43 7.64 -1.13 -3.93 113.62 116.03 1mwn n SER 41 Ca 0.26 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1mwn n SER 41 Cb 0.39 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1mwn n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1mwn n HIS 42 N -1.30 0.00 -0.35 1.43 -0.00 -1.25 -3.42 115.22 110.33 1mwn n HIS 42 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1mwn n HIS 42 Cb 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 29.97 1mwn n HIS 42 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1mwn h PHE 43 N 0.00 1.17 0.00 1.57 3.04 -1.93 -3.40 116.94 117.39 1mwn h PHE 43 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1mwn h PHE 43 Cb 0.00 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.12 1mwn h PHE 43 CO 0.00 0.74 -0.84 -0.11 -2.02 0.00 0.00 178.31 176.07 1mwn n LEU 44 N -4.44 0.00 -4.01 0.59 0.00 -1.26 -5.07 117.00 102.81 1mwn n LEU 44 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.89 1mwn n LEU 44 Cb 0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.27 1mwn n LEU 44 CO 0.37 -0.08 -0.45 -1.61 0.00 0.00 0.00 177.39 175.61 1mwn s GLU 45 N -2.00 1.35 -0.23 1.96 2.02 -1.25 -5.08 118.70 115.48 1mwn s GLU 45 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 1mwn s GLU 45 Cb 0.00 -1.18 0.02 0.00 0.10 0.00 0.00 34.13 33.06 1mwn s GLU 45 CO 0.00 0.07 -0.09 -2.00 0.02 0.00 0.00 175.26 173.26 1mwn s GLU 46 N 0.47 3.00 -0.09 1.61 2.12 -1.22 -3.81 118.70 120.78 1mwn s GLU 46 Ca -0.09 -0.86 -0.15 0.00 0.36 0.00 0.00 54.97 54.23 1mwn s GLU 46 Cb -0.13 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 1mwn s GLU 46 CO 0.02 -0.31 0.38 0.42 -0.54 0.00 0.00 175.26 175.23 1mwn s ILE 47 N 1.35 5.19 0.00 -3.70 1.01 -1.26 -4.88 121.20 118.91 1mwn s ILE 47 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1mwn s ILE 47 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1mwn s ILE 47 CO -0.06 0.44 0.00 2.29 0.00 0.00 0.00 174.94 177.61 1mwn n LYS 48 N 2.95 2.84 -4.77 2.79 -0.00 -1.26 -5.08 118.16 115.64 1mwn n LYS 48 Ca -0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.93 1mwn n LYS 48 Cb 0.52 -0.57 -0.14 0.00 -0.00 0.00 0.00 35.03 34.84 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 -0.71 1.53 0.45 -1.58 0.41 -1.26 -5.00 118.70 112.54 1mwn s GLU 49 Ca 0.00 -0.94 0.30 0.00 -0.41 0.00 0.00 54.97 53.92 1mwn s GLU 49 Cb 0.00 -1.63 1.27 0.00 -1.78 0.00 0.00 34.13 32.00 1mwn s GLU 49 CO 0.00 0.42 1.90 -0.56 -0.49 0.00 0.00 175.26 176.53 1mwn h GLN 50 N 4.98 0.00 -1.00 1.61 3.07 -1.99 -2.77 115.11 119.01 1mwn h GLN 50 Ca -0.43 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.32 1mwn h GLN 50 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.66 1mwn h GLN 50 CO 0.44 0.00 0.66 1.05 0.09 0.00 0.00 178.83 181.08 1mwn h GLU 51 N 0.00 1.32 0.16 0.06 4.11 -1.97 1.70 114.58 119.96 1mwn h GLU 51 Ca 0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1mwn h GLU 51 Cb 0.43 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1mwn h GLU 51 CO 0.00 0.87 -0.07 0.28 0.07 0.00 0.00 179.01 180.16 1mwn h VAL 52 N 1.36 0.87 -0.42 -1.06 2.07 -1.91 1.39 116.25 118.56 1mwn h VAL 52 Ca 0.37 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1mwn h VAL 52 Cb -0.16 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1mwn h VAL 52 CO -0.08 0.02 0.25 0.58 0.02 0.00 0.00 177.57 178.37 1mwn h VAL 53 N -0.25 1.13 -0.52 2.57 2.07 -1.43 1.09 116.25 120.91 1mwn h VAL 53 Ca -0.02 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1mwn h VAL 53 Cb 0.20 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1mwn h VAL 53 CO 0.04 0.13 -0.17 0.44 0.02 0.00 0.00 177.57 178.03 1mwn h ASP 54 N 0.55 1.04 -0.40 0.57 3.32 0.29 0.51 116.42 122.30 1mwn h ASP 54 Ca 0.15 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 1mwn h ASP 54 Cb -0.01 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1mwn h ASP 54 CO -0.03 1.18 -0.20 0.11 -1.72 0.00 0.00 179.24 178.58 1mwn h LYS 55 N 0.90 0.89 -0.47 3.56 1.57 0.23 0.24 116.57 123.49 1mwn h LYS 55 Ca 0.13 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1mwn h LYS 55 Cb 0.74 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1mwn h LYS 55 CO 0.06 1.01 -0.11 0.28 -0.57 0.00 0.00 179.45 180.12 1mwn h VAL 56 N 0.78 1.26 -0.26 0.50 2.07 0.16 -1.42 116.25 119.35 1mwn h VAL 56 Ca 0.11 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.29 1mwn h VAL 56 Cb 0.74 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1mwn h VAL 56 CO 0.06 0.42 -0.37 0.24 0.02 0.00 0.00 177.57 177.93 1mwn h MET 57 N 0.77 0.70 -0.05 1.57 2.86 0.44 -2.06 114.93 119.17 1mwn h MET 57 Ca 0.13 -0.42 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1mwn h MET 57 Cb 0.62 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1mwn h MET 57 CO 0.04 1.03 0.01 0.93 1.06 0.00 0.00 176.91 179.99 1mwn h GLU 58 N 0.43 0.06 -0.38 1.72 5.08 -0.33 3.26 114.58 124.43 1mwn h GLU 58 Ca 0.03 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 1mwn h GLU 58 Cb 0.96 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1mwn h GLU 58 CO 0.09 0.06 -0.40 1.15 -1.00 0.00 0.00 179.01 178.90 1mwn h THR 59 N 0.07 1.27 0.00 1.13 2.02 -0.79 -3.34 112.91 113.27 1mwn h THR 59 Ca 0.02 -1.58 -0.25 0.00 0.77 0.00 0.00 66.41 65.37 1mwn h THR 59 Cb 0.03 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1mwn h THR 59 CO -0.00 0.53 -1.76 0.18 0.37 0.00 0.00 175.52 174.84 1mwn n LEU 60 N -4.05 1.43 -2.62 2.58 4.77 -0.53 -4.56 117.00 114.01 1mwn n LEU 60 Ca -0.02 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1mwn n LEU 60 Cb 0.56 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1mwn n LEU 60 CO 0.49 0.21 1.72 -0.67 -1.33 0.00 0.00 177.39 177.82 1mwn n ASP 61 N -3.93 4.07 0.00 -1.43 2.03 1.08 -4.41 116.55 113.96 1mwn n ASP 61 Ca -0.32 -2.20 0.03 0.00 0.52 0.00 0.00 54.79 52.83 1mwn n ASP 61 Cb 0.68 -0.98 0.17 0.00 -0.72 0.00 0.00 41.12 40.27 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwn n GLU 62 N 3.32 0.38 0.07 -0.67 1.02 -1.24 -1.01 120.64 122.51 1mwn n GLU 62 Ca 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.44 1mwn n GLU 62 Cb 0.38 -1.24 -0.09 0.00 -0.02 0.00 0.00 31.44 30.47 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1mwn h ASP 63 N 0.00 0.00 0.00 1.62 3.32 -1.89 -3.46 116.42 116.01 1mwn h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mwn h ASP 63 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mwn h ASP 63 CO 0.00 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 1mwn n GLY 64 N 1.33 0.57 0.31 2.75 0.00 -0.18 -4.85 105.19 105.13 1mwn n GLY 64 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.94 -1.84 1.61 5.75 -1.26 -4.88 116.55 116.87 1mwn n ASP 65 Ca 0.00 -1.48 -0.14 0.00 -0.01 0.00 0.00 54.79 53.16 1mwn n ASP 65 Cb 0.00 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.03 -0.13 3.11 6.12 0.00 -1.26 -5.00 105.19 109.06 1mwn n GLY 66 Ca 0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.04 0.56 -0.09 1.61 2.02 -1.26 -3.20 118.70 113.30 1mwn s GLU 67 Ca 0.12 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1mwn s GLU 67 Cb -0.05 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.42 1mwn s GLU 67 CO 0.15 -0.14 -0.08 0.00 0.02 0.00 0.00 175.26 175.21 1mwn s ASP 69 N 1.38 5.00 0.20 0.00 -4.77 -1.26 -0.75 116.67 116.47 1mwn s ASP 69 Ca -0.02 0.07 -0.14 0.00 -3.30 0.00 0.00 52.55 49.16 1mwn s ASP 69 Cb -0.14 -0.81 0.22 0.00 -1.09 0.00 0.00 42.92 41.10 1mwn s ASP 69 CO -0.04 -1.38 1.64 -0.26 0.70 0.00 0.00 175.17 175.82 1mwn h PHE 70 N -0.21 -0.29 -0.65 2.11 -1.00 -1.96 1.00 116.94 115.95 1mwn h PHE 70 Ca -0.42 0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.42 1mwn h PHE 70 Cb 1.30 0.22 -0.03 0.00 3.61 0.00 0.00 35.95 41.05 1mwn h PHE 70 CO 0.27 -0.25 0.43 0.37 -1.61 0.00 0.00 178.31 177.52 1mwn h GLN 71 N 0.01 0.85 -0.37 1.51 5.75 -1.96 0.65 115.11 121.54 1mwn h GLN 71 Ca 0.29 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.57 1mwn h GLN 71 Cb 0.44 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1mwn h GLN 71 CO -0.60 0.56 -0.41 0.93 -2.65 0.00 0.00 178.83 176.66 1mwn h GLU 72 N 0.88 0.94 -0.51 1.69 5.08 -1.30 -2.81 114.58 118.55 1mwn h GLU 72 Ca 0.24 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1mwn h GLU 72 Cb -0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1mwn h GLU 72 CO -0.05 1.17 0.09 0.35 -1.00 0.00 0.00 179.01 179.56 1mwn h PHE 73 N 0.76 0.83 -0.48 4.33 3.04 0.14 -2.10 116.94 123.46 1mwn h PHE 73 Ca 0.05 -0.09 0.04 0.00 3.98 0.00 0.00 57.97 61.96 1mwn h PHE 73 Cb 1.01 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 1mwn h PHE 73 CO 0.07 0.72 0.32 0.52 -2.02 0.00 0.00 178.31 177.92 1mwn h MET 74 N 0.76 0.47 0.00 1.11 2.86 0.55 0.93 114.93 121.62 1mwn h MET 74 Ca 0.16 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1mwn h MET 74 Cb 0.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1mwn h MET 74 CO 0.00 0.31 -0.35 0.00 1.06 0.00 0.00 176.91 177.94 1mwn h ALA 75 N 1.73 1.18 -1.01 6.32 0.00 -1.26 -2.75 119.26 123.47 1mwn h ALA 75 Ca 0.20 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1mwn h ALA 75 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1mwn h ALA 75 CO -0.05 0.43 0.67 0.35 0.00 0.00 0.00 179.25 180.65 1mwn h PHE 76 N 0.00 1.27 -0.49 0.00 3.04 -0.76 -0.53 116.94 119.47 1mwn h PHE 76 Ca -0.00 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.84 1mwn h PHE 76 Cb 0.73 -0.43 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1mwn h PHE 76 CO 0.00 0.80 -0.22 0.28 -2.02 0.00 0.00 178.31 177.15 1mwn h VAL 77 N 1.37 1.27 -0.49 1.41 2.07 -1.47 -2.26 116.25 118.15 1mwn h VAL 77 Ca 0.37 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1mwn h VAL 77 Cb -0.16 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1mwn h VAL 77 CO -0.08 0.48 0.08 0.77 0.02 0.00 0.00 177.57 178.84 1mwn h SER 78 N 0.86 0.78 -0.36 0.57 4.64 -1.22 0.63 113.55 119.46 1mwn h SER 78 Ca 0.11 -0.26 -0.16 0.00 -0.47 0.00 0.00 61.79 61.02 1mwn h SER 78 Cb 0.80 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1mwn h SER 78 CO 0.07 0.84 -0.38 0.00 -0.87 0.00 0.00 176.83 176.49 1mwn h MET 79 N 0.69 0.90 -0.35 4.77 -0.00 -1.09 0.42 114.93 120.27 1mwn h MET 79 Ca 0.15 -0.48 -0.17 0.00 -0.00 0.00 0.00 59.70 59.20 1mwn h MET 79 Cb 0.39 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.01 1mwn h MET 79 CO 0.01 1.13 -0.44 0.28 -0.00 0.00 0.00 176.91 177.90 1mwn h VAL 80 N 0.70 1.27 -0.51 -0.10 2.07 -1.30 0.61 116.25 119.00 1mwn h VAL 80 Ca 0.05 -1.61 -0.13 0.00 0.82 0.00 0.00 66.70 65.83 1mwn h VAL 80 Cb 0.98 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1mwn h VAL 80 CO 0.09 0.53 -0.18 0.74 0.02 0.00 0.00 177.57 178.78 1mwn h THR 81 N 0.72 1.27 -0.45 2.57 2.02 0.41 -1.22 112.91 118.23 1mwn h THR 81 Ca 0.05 -1.34 -0.14 0.00 0.77 0.00 0.00 66.41 65.74 1mwn h THR 81 Cb 1.03 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1mwn h THR 81 CO 0.10 0.47 -0.28 0.74 0.37 0.00 0.00 175.52 176.92 1mwn h THR 82 N 0.89 1.27 -0.36 3.16 2.02 -0.03 -2.31 112.91 117.54 1mwn h THR 82 Ca 0.12 -1.45 -0.11 0.00 0.77 0.00 0.00 66.41 65.74 1mwn h THR 82 Cb 0.76 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1mwn h THR 82 CO 0.06 0.50 -0.22 0.00 0.37 0.00 0.00 175.52 176.23 1mwn h ALA 83 N 0.83 0.52 -0.50 6.16 0.00 -0.72 -2.44 119.26 123.11 1mwn h ALA 83 Ca 0.09 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1mwn h ALA 83 Cb 0.87 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1mwn h ALA 83 CO 0.08 0.48 0.04 0.00 0.00 0.00 0.00 179.25 179.85 1mwn h HIS 85 N 0.72 1.26 -1.01 0.00 6.17 -1.38 -2.41 115.15 118.51 1mwn h HIS 85 Ca 0.15 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.26 1mwn h HIS 85 Cb 0.46 -0.42 -0.05 0.00 2.52 0.00 0.00 27.41 29.91 1mwn h HIS 85 CO 0.03 0.81 0.67 1.49 0.71 0.00 0.00 177.93 181.64 1mwn h GLU 86 N 1.34 1.30 -5.99 5.26 4.81 -1.18 -3.37 114.58 116.76 1mwn h GLU 86 Ca 0.36 -0.08 -0.51 0.00 -0.13 0.00 0.00 59.36 59.00 1mwn h GLU 86 Cb -0.12 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 28.94 1mwn h GLU 86 CO -0.07 0.86 1.38 0.12 -0.73 0.00 0.00 179.01 180.57 1mwn s PHE 87 N -6.11 1.60 0.00 0.92 5.36 -0.91 -4.62 117.98 114.23 1mwn s PHE 87 Ca -0.13 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1mwn s PHE 87 Cb 0.18 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1mwn s PHE 87 CO 0.82 -2.47 0.09 0.34 -1.46 0.00 0.00 175.22 172.54 1mwn n PHE 88 N 12.71 0.00 -3.12 10.12 7.35 -1.26 -5.00 117.46 138.27 1mwn n PHE 88 Ca 0.23 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.50 1mwn n PHE 88 Cb 0.51 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.28 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 -0.27 3.55 0.25 -4.13 2.02 -1.26 -4.92 118.70 113.93 1mwn s GLU 89 Ca 0.00 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 1mwn s GLU 89 Cb 0.00 -3.85 0.26 0.00 0.10 0.00 0.00 34.13 30.64 1mwn s GLU 89 CO 0.00 -0.82 1.93 0.45 0.02 0.00 0.00 175.26 176.85 1mwn h HIS 90 N 8.59 1.26 0.00 1.61 3.86 -2.02 -3.55 115.15 124.91 1mwn h HIS 90 Ca -0.26 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1mwn h HIS 90 Cb 1.11 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1mwn h HIS 90 CO 0.74 0.80 0.00 0.39 0.86 0.00 0.00 177.93 180.72