#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 0.86 0.00 1.43 4.81 -2.06 -2.82 114.58 116.80 1mwn h GLU 2 Ca 0.00 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1mwn h GLU 2 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1mwn h GLU 2 CO 0.00 1.03 -0.05 1.25 -0.73 0.00 0.00 179.01 180.51 1mwn h LEU 3 N 0.74 0.00 -0.02 1.64 6.46 -2.05 -2.95 115.31 119.12 1mwn h LEU 3 Ca 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1mwn h LEU 3 Cb 0.82 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1mwn h LEU 3 CO 0.07 0.05 0.01 -0.08 -0.62 0.00 0.00 178.44 177.88 1mwn h GLU 4 N 0.00 0.03 -0.38 1.25 4.81 -1.94 0.42 114.58 118.77 1mwn h GLU 4 Ca -0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1mwn h GLU 4 Cb 0.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1mwn h GLU 4 CO 0.01 0.02 -0.39 1.57 -0.73 0.00 0.00 179.01 179.48 1mwn h LYS 5 N 0.03 0.94 -0.51 1.92 2.10 -1.67 -2.80 116.57 116.58 1mwn h LYS 5 Ca 0.01 -0.50 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1mwn h LYS 5 Cb -0.00 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 1mwn h LYS 5 CO -0.00 1.16 0.29 0.00 -2.00 0.00 0.00 179.45 178.90 1mwn h ALA 6 N 0.77 0.65 -0.73 0.07 0.00 -1.34 -1.20 119.26 117.47 1mwn h ALA 6 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1mwn h ALA 6 Cb 0.99 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1mwn h ALA 6 CO 0.10 0.15 0.48 1.98 0.00 0.00 0.00 179.25 181.96 1mwn h MET 7 N 0.68 0.97 -0.95 0.00 1.85 -0.10 -0.75 114.93 116.63 1mwn h MET 7 Ca 0.18 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 1mwn h MET 7 Cb 0.01 -0.22 -0.05 0.00 0.43 0.00 0.00 31.60 31.78 1mwn h MET 7 CO -0.03 0.64 0.57 0.28 -0.40 0.00 0.00 176.91 177.97 1mwn h VAL 8 N 1.00 1.26 -0.62 -5.77 2.07 -1.19 -2.23 116.25 110.77 1mwn h VAL 8 Ca 0.27 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1mwn h VAL 8 Cb -0.11 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.55 1mwn h VAL 8 CO -0.06 0.28 0.31 0.00 0.02 0.00 0.00 177.57 178.12 1mwn h ALA 9 N 1.31 0.79 -0.89 1.67 0.00 -0.06 -2.28 119.26 119.80 1mwn h ALA 9 Ca 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1mwn h ALA 9 Cb -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1mwn h ALA 9 CO -0.06 0.34 0.48 -0.07 0.00 0.00 0.00 179.25 179.93 1mwn h LEU 10 N 0.84 1.12 -0.73 0.00 3.38 -0.62 -1.14 115.31 118.16 1mwn h LEU 10 Ca 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mwn h LEU 10 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1mwn h LEU 10 CO -0.03 0.90 0.36 0.40 0.09 0.00 0.00 178.44 180.16 1mwn h ILE 11 N 1.24 1.23 -0.37 1.22 2.04 -1.01 -1.85 117.51 120.01 1mwn h ILE 11 Ca 0.31 -0.65 -0.16 0.00 1.00 0.00 0.00 64.86 65.36 1mwn h ILE 11 Cb 0.04 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1mwn h ILE 11 CO -0.05 0.27 -0.41 0.44 0.00 0.00 0.00 178.15 178.41 1mwn h ASP 12 N 1.01 1.01 -0.44 1.72 3.32 -0.98 -2.81 116.42 119.25 1mwn h ASP 12 Ca 0.25 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1mwn h ASP 12 Cb 0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1mwn h ASP 12 CO -0.03 1.28 0.29 0.58 -1.72 0.00 0.00 179.24 179.64 1mwn h VAL 13 N 0.76 1.11 -0.12 -1.35 2.07 -0.94 -0.10 116.25 117.68 1mwn h VAL 13 Ca 0.06 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1mwn h VAL 13 Cb 1.01 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1mwn h VAL 13 CO 0.10 0.11 0.01 0.15 0.02 0.00 0.00 177.57 177.96 1mwn h PHE 14 N 0.60 0.01 0.00 1.57 3.57 -1.08 -2.88 116.94 118.73 1mwn h PHE 14 Ca 0.16 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 14 Cb -0.07 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1mwn h PHE 14 CO 0.00 -0.01 -0.66 1.25 -2.23 0.00 0.00 178.31 176.66 1mwn h HIS 15 N 0.05 0.00 -0.97 0.41 2.76 -1.34 -1.99 115.15 114.08 1mwn h HIS 15 Ca 0.06 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1mwn h HIS 15 Cb 0.06 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.97 1mwn h HIS 15 CO -0.13 0.66 0.64 1.96 -1.30 0.00 0.00 177.93 179.76 1mwn h GLN 16 N 0.00 1.28 0.00 5.26 4.20 -0.81 -2.88 115.11 122.16 1mwn h GLN 16 Ca -0.01 -0.08 -0.29 0.00 0.06 0.00 0.00 58.65 58.34 1mwn h GLN 16 Cb 1.36 -0.29 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 1mwn h GLN 16 CO 0.09 0.85 -2.08 0.66 -0.67 0.00 0.00 178.83 177.67 1mwn n TYR 17 N -4.41 0.00 -0.18 2.96 4.02 -1.20 -4.03 117.16 114.32 1mwn n TYR 17 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.93 1mwn n TYR 17 Cb 0.01 -0.77 0.02 0.00 -0.02 0.00 0.00 39.34 38.57 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1mwn h SER 18 N 0.00 0.66 -0.20 7.72 0.87 -1.42 -2.47 113.55 118.72 1mwn h SER 18 Ca -0.43 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1mwn h SER 18 Cb 1.94 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1mwn h SER 18 CO 0.01 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.51 1mwn n GLY 19 N -0.98 0.48 0.23 5.77 0.00 -1.09 -4.17 105.19 105.43 1mwn n GLY 19 Ca 0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 2.52 0.79 -2.44 1.61 2.43 -1.58 -3.47 114.38 114.24 1mwn h ARG 20 Ca 0.00 -0.43 0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1mwn h ARG 20 Cb 0.55 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 29.97 1mwn h ARG 20 CO 0.00 1.06 0.39 -2.00 -1.51 0.00 0.00 179.97 177.91 1mwn s GLU 21 N -4.34 0.96 2.21 0.20 2.56 -1.26 -5.12 118.70 113.92 1mwn s GLU 21 Ca -0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.56 1mwn s GLU 21 Cb 0.09 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.67 1mwn s GLU 21 CO 0.85 -0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.55 1mwn n GLY 22 N -0.15 -1.16 3.72 -1.50 0.00 -1.26 -4.76 105.19 100.08 1mwn n GLY 22 Ca -0.12 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 6.90 0.15 1.61 1.01 -1.26 -4.92 116.67 116.16 1mwn s ASP 23 Ca 0.00 2.25 -0.11 0.00 0.71 0.00 0.00 52.55 55.40 1mwn s ASP 23 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1mwn s ASP 23 CO 0.00 -0.59 1.50 0.11 0.21 0.00 0.00 175.17 176.40 1mwn h LYS 24 N 6.63 0.97 0.00 8.23 1.57 -1.86 -3.10 116.57 129.01 1mwn h LYS 24 Ca -0.42 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 57.87 1mwn h LYS 24 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1mwn h LYS 24 CO 0.84 1.14 -0.03 0.45 -0.57 0.00 0.00 179.45 181.28 1mwn h HIS 25 N 0.80 0.00 -3.32 -1.35 3.86 -1.91 -3.41 115.15 109.82 1mwn h HIS 25 Ca 0.08 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.92 1mwn h HIS 25 Cb 0.92 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.24 1mwn h HIS 25 CO 0.06 0.03 -0.73 0.15 0.86 0.00 0.00 177.93 178.30 1mwn s LYS 26 N -3.34 1.10 -0.25 2.45 1.02 -1.17 -4.39 119.74 115.16 1mwn s LYS 26 Ca 0.05 -1.43 -0.07 0.00 0.02 0.00 0.00 55.97 54.55 1mwn s LYS 26 Cb 0.06 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.55 1mwn s LYS 26 CO 0.64 0.12 0.06 -0.51 -0.92 0.00 0.00 175.35 174.73 1mwn s LEU 27 N -3.02 3.37 0.19 3.17 1.43 0.81 -4.18 118.68 120.46 1mwn s LEU 27 Ca 0.16 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1mwn s LEU 27 Cb -0.00 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1mwn s LEU 27 CO 0.02 -0.03 0.46 -0.75 0.23 0.00 0.00 176.35 176.29 1mwn s LYS 28 N 1.59 3.70 0.29 1.70 2.20 -1.26 0.83 119.74 128.78 1mwn s LYS 28 Ca 0.06 0.07 0.11 0.00 -0.36 0.00 0.00 55.97 55.85 1mwn s LYS 28 Cb -0.15 -2.75 0.92 0.00 -1.51 0.00 0.00 37.83 34.35 1mwn s LYS 28 CO 0.03 0.38 1.33 1.17 -0.36 0.00 0.00 175.35 177.90 1mwn n LYS 29 N -0.09 -0.06 -0.23 4.03 4.81 -1.17 0.18 118.16 125.63 1mwn n LYS 29 Ca -0.01 1.21 -0.07 0.00 -0.87 0.00 0.00 58.31 58.57 1mwn n LYS 29 Cb 0.52 -2.06 0.04 0.00 0.02 0.00 0.00 35.03 33.55 1mwn n LYS 29 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mwn h SER 30 N 0.00 0.86 -0.45 3.14 4.64 -1.92 -0.39 113.55 119.42 1mwn h SER 30 Ca 0.63 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.65 1mwn h SER 30 Cb 1.53 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1mwn h SER 30 CO -0.72 0.78 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.42 1mwn h GLU 31 N 0.89 0.99 -0.91 4.77 5.08 0.15 -2.86 114.58 122.69 1mwn h GLU 31 Ca 0.22 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1mwn h GLU 31 Cb 0.17 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1mwn h GLU 31 CO -0.02 1.12 0.51 1.25 -1.00 0.00 0.00 179.01 180.87 1mwn h LEU 32 N 0.83 1.13 -1.00 1.33 5.85 -0.72 -1.18 115.31 121.55 1mwn h LEU 32 Ca 0.10 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1mwn h LEU 32 Cb 0.86 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1mwn h LEU 32 CO 0.08 0.90 0.66 0.50 -0.34 0.00 0.00 178.44 180.24 1mwn h LYS 33 N 1.27 1.28 -0.59 1.25 3.64 -0.89 0.18 116.57 122.73 1mwn h LYS 33 Ca 0.32 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1mwn h LYS 33 Cb 0.01 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1mwn h LYS 33 CO -0.05 0.85 0.09 1.49 -2.27 0.00 0.00 179.45 179.56 1mwn h GLU 34 N 1.32 0.97 -0.00 1.90 4.57 -1.11 1.27 114.58 123.51 1mwn h GLU 34 Ca 0.38 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1mwn h GLU 34 Cb -0.09 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1mwn h GLU 34 CO -0.10 0.92 0.00 1.25 -1.18 0.00 0.00 179.01 179.90 1mwn h LEU 35 N 0.87 0.00 0.09 1.64 5.85 -0.04 -1.37 115.31 122.36 1mwn h LEU 35 Ca 0.18 -0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.60 1mwn h LEU 35 Cb 0.42 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1mwn h LEU 35 CO 0.01 0.04 -1.23 0.40 -0.34 0.00 0.00 178.44 177.33 1mwn h ILE 36 N -0.03 1.49 0.00 4.05 2.04 -0.51 -1.00 117.51 123.55 1mwn h ILE 36 Ca 0.00 -3.12 -0.11 0.00 1.00 0.00 0.00 64.86 62.63 1mwn h ILE 36 Cb 0.04 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1mwn h ILE 36 CO -0.00 0.89 -0.52 -0.55 0.00 0.00 0.00 178.15 177.97 1mwn h ASN 37 N 0.05 0.00 0.00 1.72 -1.07 0.16 -2.86 115.58 113.58 1mwn h ASN 37 Ca -0.12 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.04 1mwn h ASN 37 Cb 1.92 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 38.13 1mwn h ASN 37 CO 0.17 0.52 -1.80 0.59 0.07 0.00 0.00 177.43 176.98 1mwn n ASN 38 N -3.35 2.71 0.16 6.14 5.03 -0.52 -4.40 115.26 121.03 1mwn n ASN 38 Ca 0.01 -0.06 0.08 0.00 0.87 0.00 0.00 54.58 55.48 1mwn n ASN 38 Cb 0.68 0.05 0.08 0.00 -1.02 0.00 0.00 39.78 39.57 1mwn n ASN 38 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 1mwn h GLU 39 N 0.00 0.00 -2.61 3.52 4.22 -1.25 -3.35 114.58 115.11 1mwn h GLU 39 Ca -0.32 0.00 -0.63 0.00 0.08 0.00 0.00 59.36 58.50 1mwn h GLU 39 Cb 1.55 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.39 1mwn h GLU 39 CO -0.03 0.19 -0.45 1.28 -2.18 0.00 0.00 179.01 177.82 1mwn n LEU 40 N -3.06 3.76 0.00 1.64 7.99 -1.08 -5.01 117.00 121.23 1mwn n LEU 40 Ca 0.02 -5.34 0.00 0.00 -0.01 0.00 0.00 56.01 50.68 1mwn n LEU 40 Cb 0.63 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 1mwn n LEU 40 CO 0.38 1.90 0.00 -1.20 -1.51 0.00 0.00 177.39 176.96 1mwn n SER 41 N 1.34 0.00 -0.45 -1.43 7.64 -1.26 -4.26 113.62 115.20 1mwn n SER 41 Ca 0.26 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.27 1mwn n SER 41 Cb 0.38 0.00 0.44 0.00 -1.01 0.00 0.00 64.21 64.02 1mwn n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mwn n HIS 42 N 0.00 0.00 -0.34 1.43 1.44 -1.26 -2.63 115.22 113.86 1mwn n HIS 42 Ca 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 1mwn n HIS 42 Cb 0.00 -0.03 0.09 0.00 0.12 0.00 0.00 29.99 30.17 1mwn n HIS 42 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 1mwn h PHE 43 N 2.22 1.15 0.00 -1.40 3.57 -1.98 -3.39 116.94 117.11 1mwn h PHE 43 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 43 Cb 0.54 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1mwn h PHE 43 CO 0.00 0.72 -0.98 -0.11 -2.23 0.00 0.00 178.31 175.71 1mwn n LEU 44 N -4.45 0.02 -3.66 0.59 7.94 -1.26 -5.08 117.00 111.11 1mwn n LEU 44 Ca 0.10 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.93 1mwn n LEU 44 Cb 0.01 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.88 1mwn n LEU 44 CO 0.37 -0.01 0.25 -0.70 -1.11 0.00 0.00 177.39 176.19 1mwn s GLU 45 N -2.00 0.60 -0.28 1.96 -6.30 -1.17 -5.10 118.70 106.41 1mwn s GLU 45 Ca 0.00 1.11 -0.12 0.00 -2.50 0.00 0.00 54.97 53.47 1mwn s GLU 45 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 34.13 34.23 1mwn s GLU 45 CO 0.00 -0.16 0.22 -2.00 0.02 0.00 0.00 175.26 173.34 1mwn s GLU 46 N 1.70 3.96 -0.48 4.30 2.56 -1.08 -4.25 118.70 125.41 1mwn s GLU 46 Ca -0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 54.97 54.38 1mwn s GLU 46 Cb -0.07 -3.66 0.03 0.00 2.00 0.00 0.00 34.13 32.44 1mwn s GLU 46 CO -0.18 -0.20 0.83 0.42 -0.56 0.00 0.00 175.26 175.58 1mwn s ILE 47 N 1.81 4.58 0.00 -3.70 -1.09 -1.26 -4.76 121.20 116.78 1mwn s ILE 47 Ca 0.08 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 1mwn s ILE 47 Cb -0.16 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1mwn s ILE 47 CO 0.11 -0.84 0.00 2.29 -1.23 0.00 0.00 174.94 175.26 1mwn n LYS 48 N 6.92 4.28 -4.42 2.79 0.00 -1.26 -4.85 118.16 121.62 1mwn n LYS 48 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.07 1mwn n LYS 48 Cb 0.48 -0.67 -0.13 0.00 -0.00 0.00 0.00 35.03 34.71 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 -1.32 1.28 0.51 -1.58 0.41 -1.26 -5.00 118.70 111.74 1mwn s GLU 49 Ca 0.00 -1.15 0.30 0.00 -0.41 0.00 0.00 54.97 53.71 1mwn s GLU 49 Cb 0.00 -1.55 1.08 0.00 -1.78 0.00 0.00 34.13 31.88 1mwn s GLU 49 CO 0.00 0.37 1.88 -0.56 -0.49 0.00 0.00 175.26 176.46 1mwn h GLN 50 N 4.25 0.00 -0.94 1.61 3.07 -1.99 -3.09 115.11 118.02 1mwn h GLN 50 Ca -0.46 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.28 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 0.41 0.03 0.61 1.05 0.09 0.00 0.00 178.83 181.02 1mwn h GLU 51 N 0.00 1.25 0.01 0.06 4.11 -1.97 1.64 114.58 119.68 1mwn h GLU 51 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 1mwn h GLU 51 Cb 0.65 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1mwn h GLU 51 CO 0.00 0.84 -0.00 0.28 0.07 0.00 0.00 179.01 180.20 1mwn h VAL 52 N 1.29 1.15 -0.33 -1.06 2.07 -1.96 0.36 116.25 117.77 1mwn h VAL 52 Ca 0.34 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1mwn h VAL 52 Cb -0.13 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1mwn h VAL 52 CO -0.07 0.12 0.22 0.58 0.02 0.00 0.00 177.57 178.44 1mwn h VAL 53 N -0.21 1.08 -0.63 2.57 2.07 -1.50 1.56 116.25 121.20 1mwn h VAL 53 Ca -0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1mwn h VAL 53 Cb 0.21 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1mwn h VAL 53 CO 0.00 0.08 0.29 0.44 0.02 0.00 0.00 177.57 178.40 1mwn h ASP 54 N 0.45 0.83 -0.17 0.57 3.32 0.26 3.01 116.42 124.68 1mwn h ASP 54 Ca 0.12 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1mwn h ASP 54 Cb -0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1mwn h ASP 54 CO -0.03 0.74 -0.53 0.50 -1.72 0.00 0.00 179.24 178.20 1mwn h LYS 55 N 0.86 0.76 0.02 3.56 3.64 0.26 0.82 116.57 126.49 1mwn h LYS 55 Ca 0.21 -0.47 -0.21 0.00 -1.27 0.00 0.00 60.65 58.92 1mwn h LYS 55 Cb 0.14 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1mwn h LYS 55 CO -0.02 1.10 -0.93 0.28 -2.27 0.00 0.00 179.45 177.60 1mwn h VAL 56 N 0.59 1.53 -0.21 2.00 2.07 0.27 -2.75 116.25 119.75 1mwn h VAL 56 Ca 0.02 -2.80 -0.20 0.00 0.82 0.00 0.00 66.70 64.54 1mwn h VAL 56 Cb 1.11 2.58 0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1mwn h VAL 56 CO 0.11 0.81 -0.65 -0.03 0.02 0.00 0.00 177.57 177.84 1mwn h MET 57 N 0.08 0.81 -0.56 1.57 1.85 0.55 -1.46 114.93 117.78 1mwn h MET 57 Ca -0.05 -0.59 0.00 0.00 -0.61 0.00 0.00 59.70 58.45 1mwn h MET 57 Cb 1.59 0.10 -0.03 0.00 0.43 0.00 0.00 31.60 33.70 1mwn h MET 57 CO 0.14 1.21 0.36 1.49 -0.40 0.00 0.00 176.91 179.71 1mwn h GLU 58 N 0.56 0.74 0.00 0.39 4.81 -0.84 3.53 114.58 123.78 1mwn h GLU 58 Ca -0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1mwn h GLU 58 Cb 1.27 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1mwn h GLU 58 CO 0.14 0.50 -0.26 1.15 -0.73 0.00 0.00 179.01 179.80 1mwn h THR 59 N 0.76 0.60 0.00 0.32 2.02 -1.15 -3.33 112.91 112.13 1mwn h THR 59 Ca 0.20 -1.27 -0.33 0.00 0.77 0.00 0.00 66.41 65.79 1mwn h THR 59 Cb -0.07 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1mwn h THR 59 CO -0.04 0.26 -2.15 -0.11 0.37 0.00 0.00 175.52 173.84 1mwn n LEU 60 N -3.38 2.10 -2.48 2.58 7.94 -0.06 -4.52 117.00 119.18 1mwn n LEU 60 Ca 0.00 0.11 -0.16 0.00 -1.11 0.00 0.00 56.01 54.85 1mwn n LEU 60 Cb 0.47 -0.65 -0.09 0.00 0.53 0.00 0.00 43.42 43.68 1mwn n LEU 60 CO 0.34 0.60 1.83 -0.67 -1.11 0.00 0.00 177.39 178.38 1mwn n ASP 61 N -3.58 4.84 0.00 1.96 2.03 1.15 -4.46 116.55 118.49 1mwn n ASP 61 Ca -0.39 -2.30 0.02 0.00 0.52 0.00 0.00 54.79 52.64 1mwn n ASP 61 Cb 0.83 -1.15 0.11 0.00 -0.72 0.00 0.00 41.12 40.19 1mwn n ASP 61 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1mwn n GLU 62 N 3.04 0.33 -0.01 -0.67 4.07 -1.25 -0.55 120.64 125.60 1mwn n GLU 62 Ca 0.41 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.47 1mwn n GLU 62 Cb 0.53 -1.18 -0.12 0.00 -0.06 0.00 0.00 31.44 30.61 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1mwn n ASP 63 N -0.68 0.76 0.00 4.31 8.00 -1.26 -4.94 116.55 122.74 1mwn n ASP 63 Ca 0.03 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1mwn n ASP 63 Cb 0.01 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1mwn n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mwn n GLY 64 N 1.50 0.68 0.64 0.44 0.00 0.29 -4.87 105.19 103.87 1mwn n GLY 64 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 1.93 -1.19 1.61 5.75 -1.26 -4.89 116.55 118.50 1mwn n ASP 65 Ca 0.00 -1.75 -0.11 0.00 -0.01 0.00 0.00 54.79 52.93 1mwn n ASP 65 Cb 0.00 -0.12 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.19 0.12 3.18 6.12 0.00 -1.26 -5.00 105.19 109.54 1mwn n GLY 66 Ca 0.17 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.30 0.79 -0.08 1.61 2.02 -1.26 -3.02 118.70 114.47 1mwn s GLU 67 Ca 0.00 -1.00 -0.00 0.00 0.02 0.00 0.00 54.97 53.99 1mwn s GLU 67 Cb 0.00 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.57 1mwn s GLU 67 CO 0.00 -0.23 -0.05 0.00 0.02 0.00 0.00 175.26 175.00 1mwn s ASP 69 N 1.51 4.37 0.25 0.00 -4.77 -1.26 -0.13 116.67 116.63 1mwn s ASP 69 Ca -0.01 0.50 -0.03 0.00 -3.30 0.00 0.00 52.55 49.71 1mwn s ASP 69 Cb -0.13 -0.96 0.46 0.00 -1.09 0.00 0.00 42.92 41.19 1mwn s ASP 69 CO -0.04 -1.93 1.77 2.19 0.70 0.00 0.00 175.17 177.86 1mwn h PHE 70 N -0.95 0.73 -0.85 2.11 -5.15 -1.97 0.99 116.94 111.84 1mwn h PHE 70 Ca -0.45 0.03 0.01 0.00 -0.20 0.00 0.00 57.97 57.36 1mwn h PHE 70 Cb 1.30 -0.20 -0.04 0.00 0.22 0.00 0.00 35.95 37.23 1mwn h PHE 70 CO 0.03 0.21 0.56 0.37 -2.00 0.00 0.00 178.31 177.49 1mwn h GLN 71 N 0.63 1.13 -0.56 6.09 5.75 -1.97 -2.18 115.11 124.00 1mwn h GLN 71 Ca 0.42 -0.07 -0.11 0.00 -0.15 0.00 0.00 58.65 58.73 1mwn h GLN 71 Cb 0.53 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1mwn h GLN 71 CO -0.33 0.75 -0.10 0.93 -2.65 0.00 0.00 178.83 177.43 1mwn h GLU 72 N 1.16 1.05 -0.91 1.69 5.08 -1.24 -2.85 114.58 118.55 1mwn h GLU 72 Ca 0.31 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1mwn h GLU 72 Cb -0.13 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.00 1mwn h GLU 72 CO -0.07 1.08 0.60 0.35 -1.00 0.00 0.00 179.01 179.98 1mwn h PHE 73 N 0.93 1.12 -0.49 4.33 3.57 -0.45 -0.76 116.94 125.20 1mwn h PHE 73 Ca 0.15 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1mwn h PHE 73 Cb 0.67 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1mwn h PHE 73 CO 0.05 0.66 0.32 1.98 -2.23 0.00 0.00 178.31 179.09 1mwn h MET 74 N 1.17 0.63 0.00 1.11 4.05 -1.17 -0.66 114.93 120.06 1mwn h MET 74 Ca 0.36 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.67 1mwn h MET 74 Cb -0.03 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 1mwn h MET 74 CO -0.10 0.42 -0.31 0.00 0.23 0.00 0.00 176.91 177.15 1mwn h ALA 75 N 1.70 1.40 -1.01 0.39 0.00 -1.08 -2.39 119.26 118.27 1mwn h ALA 75 Ca 0.18 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mwn h ALA 75 Cb -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1mwn h ALA 75 CO -0.04 0.38 0.67 0.35 0.00 0.00 0.00 179.25 180.61 1mwn h PHE 76 N 0.00 1.25 -0.46 0.00 3.04 -0.95 0.16 116.94 119.99 1mwn h PHE 76 Ca -0.00 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.85 1mwn h PHE 76 Cb 0.58 -0.42 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1mwn h PHE 76 CO 0.00 0.76 -0.23 0.28 -2.02 0.00 0.00 178.31 177.10 1mwn h VAL 77 N 1.33 1.27 -0.32 1.41 2.07 -1.43 -2.58 116.25 117.99 1mwn h VAL 77 Ca 0.38 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1mwn h VAL 77 Cb -0.09 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1mwn h VAL 77 CO -0.10 0.47 0.20 0.77 0.02 0.00 0.00 177.57 178.93 1mwn h SER 78 N 0.81 0.39 -0.36 0.57 4.64 -0.71 0.78 113.55 119.67 1mwn h SER 78 Ca 0.10 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 1mwn h SER 78 Cb 0.79 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1mwn h SER 78 CO 0.07 0.33 -0.41 0.00 -0.87 0.00 0.00 176.83 175.94 1mwn h MET 79 N 0.42 0.93 -0.09 4.77 -0.00 -1.01 -1.43 114.93 118.51 1mwn h MET 79 Ca 0.12 -0.50 -0.17 0.00 -0.00 0.00 0.00 59.70 59.14 1mwn h MET 79 Cb 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1mwn h MET 79 CO -0.02 1.16 -0.68 0.28 -0.00 0.00 0.00 176.91 177.65 1mwn h VAL 80 N 0.75 1.37 -0.82 -0.10 2.07 -1.32 -2.64 116.25 115.56 1mwn h VAL 80 Ca 0.05 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.48 1mwn h VAL 80 Cb 1.01 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1mwn h VAL 80 CO 0.10 0.62 0.36 0.74 0.02 0.00 0.00 177.57 179.41 1mwn h THR 81 N 0.28 1.26 -0.71 2.57 2.02 0.73 -1.03 112.91 118.04 1mwn h THR 81 Ca -0.02 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 1mwn h THR 81 Cb 1.23 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1mwn h THR 81 CO 0.12 0.33 0.17 0.71 0.37 0.00 0.00 175.52 177.21 1mwn h THR 82 N 1.19 1.26 -0.28 3.16 1.35 -1.10 -2.21 112.91 116.29 1mwn h THR 82 Ca 0.28 -0.99 -0.12 0.00 -0.55 0.00 0.00 66.41 65.03 1mwn h THR 82 Cb 0.17 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1mwn h THR 82 CO -0.03 0.38 -0.30 0.00 -0.25 0.00 0.00 175.52 175.32 1mwn h ALA 83 N 1.09 0.41 -0.84 6.62 0.00 -1.09 -2.95 119.26 122.49 1mwn h ALA 83 Ca 0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1mwn h ALA 83 Cb 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1mwn h ALA 83 CO 0.00 0.43 0.49 0.00 0.00 0.00 0.00 179.25 180.18 1mwn h HIS 85 N 1.17 1.18 -0.69 0.00 6.17 -1.36 -2.26 115.15 119.35 1mwn h HIS 85 Ca 0.30 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.34 1mwn h HIS 85 Cb -0.02 -0.40 -0.03 0.00 2.52 0.00 0.00 27.41 29.48 1mwn h HIS 85 CO 0.00 0.74 0.16 0.93 0.71 0.00 0.00 177.93 180.47 1mwn h GLU 86 N 1.27 1.11 -1.00 5.26 5.08 -1.25 -2.72 114.58 122.34 1mwn h GLU 86 Ca 0.34 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1mwn h GLU 86 Cb -0.15 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 28.91 1mwn h GLU 86 CO -0.07 0.99 0.65 0.35 -1.00 0.00 0.00 179.01 179.92 1mwn h PHE 87 N 1.04 1.26 -1.01 4.33 3.57 -0.89 -2.11 116.94 123.13 1mwn h PHE 87 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1mwn h PHE 87 Cb 0.38 -0.43 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1mwn h PHE 87 CO 0.03 0.80 0.67 0.35 -2.23 0.00 0.00 178.31 177.93 1mwn h PHE 88 N 1.36 1.27 -1.59 0.41 3.04 -1.12 -3.37 116.94 116.93 1mwn h PHE 88 Ca 0.36 0.03 -0.43 0.00 3.98 0.00 0.00 57.97 61.92 1mwn h PHE 88 Cb -0.14 -0.43 -0.02 0.00 2.56 0.00 0.00 35.95 37.92 1mwn h PHE 88 CO 0.00 0.80 1.28 -2.00 -2.02 0.00 0.00 178.31 176.37 1mwn s GLU 89 N -6.12 2.35 0.14 1.11 -6.30 -0.79 -4.79 118.70 104.29 1mwn s GLU 89 Ca -0.13 0.78 -0.11 0.00 -2.50 0.00 0.00 54.97 53.01 1mwn s GLU 89 Cb 0.18 -4.56 -0.05 0.00 0.00 0.00 0.00 34.13 29.70 1mwn s GLU 89 CO 0.82 -3.13 1.47 0.45 0.02 0.00 0.00 175.26 174.88 1mwn h HIS 90 N 16.03 1.14 -0.01 5.30 3.86 -1.83 -3.49 115.15 136.15 1mwn h HIS 90 Ca -0.19 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.67 1mwn h HIS 90 Cb 1.17 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1mwn h HIS 90 CO 1.04 1.18 0.00 0.39 0.86 0.00 0.00 177.93 181.40