#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 1.07 -0.11 1.43 4.81 -2.06 -1.80 114.58 117.92 1mwn h GLU 2 Ca 0.00 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1mwn h GLU 2 Cb 0.00 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1mwn h GLU 2 CO 0.00 0.76 0.07 1.25 -0.73 0.00 0.00 179.01 180.37 1mwn h LEU 3 N 1.08 0.11 -0.06 1.64 5.85 -2.06 -2.60 115.31 119.27 1mwn h LEU 3 Ca 0.28 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1mwn h LEU 3 Cb -0.01 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1mwn h LEU 3 CO -0.05 0.08 0.04 -0.08 -0.34 0.00 0.00 178.44 178.09 1mwn h GLU 4 N 0.13 0.08 -0.12 1.25 4.81 -1.77 0.38 114.58 119.34 1mwn h GLU 4 Ca 0.04 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1mwn h GLU 4 Cb 0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1mwn h GLU 4 CO -0.01 0.06 -0.28 1.57 -0.73 0.00 0.00 179.01 179.62 1mwn h LYS 5 N 0.08 0.21 -0.68 1.92 5.09 -1.56 -2.52 116.57 119.11 1mwn h LYS 5 Ca 0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 60.65 60.64 1mwn h LYS 5 Cb -0.01 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.28 1mwn h LYS 5 CO -0.00 0.48 0.22 0.00 -2.09 0.00 0.00 179.45 178.05 1mwn h ALA 6 N 1.53 0.90 -1.00 0.07 0.00 -1.01 -2.27 119.26 117.48 1mwn h ALA 6 Ca 0.03 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1mwn h ALA 6 Cb 0.60 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1mwn h ALA 6 CO 0.04 0.57 0.66 0.52 0.00 0.00 0.00 179.25 181.04 1mwn h MET 7 N 1.00 1.33 -0.97 0.00 2.86 -0.51 0.31 114.93 118.94 1mwn h MET 7 Ca 0.22 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1mwn h MET 7 Cb 0.29 -0.30 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1mwn h MET 7 CO -0.01 0.88 0.64 0.28 1.06 0.00 0.00 176.91 179.77 1mwn h VAL 8 N 1.36 1.24 -0.04 -2.22 2.07 -1.28 1.00 116.25 118.37 1mwn h VAL 8 Ca 0.37 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1mwn h VAL 8 Cb -0.15 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.44 1mwn h VAL 8 CO -0.08 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.71 1mwn h ALA 9 N 1.36 0.07 -0.83 1.67 0.00 -0.56 -2.07 119.26 118.89 1mwn h ALA 9 Ca 0.36 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwn h ALA 9 Cb -0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1mwn h ALA 9 CO -0.08 -0.15 0.49 -0.07 0.00 0.00 0.00 179.25 179.43 1mwn h LEU 10 N -0.34 1.00 -0.79 0.00 3.38 -0.14 0.20 115.31 118.61 1mwn h LEU 10 Ca 0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1mwn h LEU 10 Cb 0.54 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1mwn h LEU 10 CO 0.01 0.78 0.31 0.40 0.09 0.00 0.00 178.44 180.03 1mwn h ILE 11 N 1.14 1.26 -0.42 1.22 2.04 -0.81 -2.18 117.51 119.77 1mwn h ILE 11 Ca 0.30 -0.83 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 1mwn h ILE 11 Cb -0.03 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1mwn h ILE 11 CO -0.05 0.34 -0.34 -0.78 0.00 0.00 0.00 178.15 177.32 1mwn h ASP 12 N 1.16 1.01 -0.53 1.72 1.82 -0.62 -2.68 116.42 118.30 1mwn h ASP 12 Ca 0.26 -0.44 0.04 0.00 -0.39 0.00 0.00 57.03 56.51 1mwn h ASP 12 Cb 0.22 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1mwn h ASP 12 CO -0.02 1.24 0.35 0.58 -1.61 0.00 0.00 179.24 179.79 1mwn h VAL 13 N 0.80 1.03 -0.16 2.25 2.07 -0.28 -0.39 116.25 121.56 1mwn h VAL 13 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1mwn h VAL 13 Cb 0.93 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1mwn h VAL 13 CO 0.09 0.10 0.10 0.15 0.02 0.00 0.00 177.57 178.03 1mwn h PHE 14 N 0.56 0.19 0.00 1.57 3.57 -1.05 -2.39 116.94 119.38 1mwn h PHE 14 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1mwn h PHE 14 Cb 0.18 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1mwn h PHE 14 CO -0.00 0.12 -0.36 0.45 -2.23 0.00 0.00 178.31 176.29 1mwn h HIS 15 N 0.21 0.00 -0.38 0.41 3.86 -1.20 -0.62 115.15 117.42 1mwn h HIS 15 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1mwn h HIS 15 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1mwn h HIS 15 CO -0.07 0.36 0.25 0.37 0.86 0.00 0.00 177.93 179.70 1mwn h GLN 16 N 0.00 0.51 0.00 2.45 4.15 -0.58 -2.78 115.11 118.86 1mwn h GLN 16 Ca -0.00 -0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1mwn h GLN 16 Cb 0.79 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1mwn h GLN 16 CO 0.05 0.35 -2.10 0.66 -1.93 0.00 0.00 178.83 175.85 1mwn n TYR 17 N -4.81 0.00 -0.37 3.99 4.01 -1.19 -4.23 117.16 114.56 1mwn n TYR 17 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1mwn n TYR 17 Cb 0.03 -0.70 0.11 0.00 -0.31 0.00 0.00 39.34 38.47 1mwn n TYR 17 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1mwn h SER 18 N 0.00 1.14 0.00 7.72 0.02 -1.17 0.14 113.55 121.41 1mwn h SER 18 Ca -0.27 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1mwn h SER 18 Cb 1.57 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1mwn h SER 18 CO 0.01 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 1mwn n GLY 19 N -1.37 -0.92 0.38 -3.77 0.00 -1.05 -3.65 105.19 94.81 1mwn n GLY 19 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.26 1.61 9.65 -0.88 -3.44 114.38 117.39 1mwn h ARG 20 Ca 0.00 -0.08 -0.39 0.00 -1.10 0.00 0.00 59.98 58.41 1mwn h ARG 20 Cb 0.00 -0.30 -0.14 0.00 -1.39 0.00 0.00 29.97 28.14 1mwn h ARG 20 CO 0.00 0.88 -0.71 -1.21 2.80 0.00 0.00 179.97 181.73 1mwn s GLU 21 N -6.12 1.23 0.41 0.20 0.41 -1.24 -5.03 118.70 108.56 1mwn s GLU 21 Ca -0.13 -1.55 0.15 0.00 -0.41 0.00 0.00 54.97 53.03 1mwn s GLU 21 Cb 0.18 -0.82 1.03 0.00 -1.78 0.00 0.00 34.13 32.74 1mwn s GLU 21 CO 0.82 0.08 1.89 0.78 -0.49 0.00 0.00 175.26 178.34 1mwn h GLY 22 N 2.62 0.82 -7.21 -1.39 0.00 -1.87 -3.28 103.07 92.77 1mwn h GLY 22 Ca -0.38 -0.20 -0.43 0.00 0.00 0.00 0.00 47.33 46.33 1mwn h GLY 22 CO 0.63 0.04 1.43 1.22 0.00 0.00 0.00 176.54 179.87 1mwn n ASP 23 N -4.50 2.97 0.15 0.19 8.00 -1.26 -4.60 116.55 117.50 1mwn n ASP 23 Ca 0.16 -2.70 0.13 0.00 0.71 0.00 0.00 54.79 53.09 1mwn n ASP 23 Cb 0.57 -1.57 0.35 0.00 -0.02 0.00 0.00 41.12 40.45 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 9.17 0.00 -0.28 -1.24 1.57 -1.73 -3.26 116.57 120.79 1mwn h LYS 24 Ca 0.28 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.87 1mwn h LYS 24 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1mwn h LYS 24 CO 1.43 0.00 -0.55 0.45 -0.57 0.00 0.00 179.45 180.21 1mwn h HIS 25 N 0.00 1.09 -3.47 -1.35 3.86 -1.89 -3.46 115.15 109.92 1mwn h HIS 25 Ca 0.00 -0.39 -0.41 0.00 -1.16 0.00 0.00 60.37 58.41 1mwn h HIS 25 Cb 0.78 -0.20 -0.17 0.00 1.06 0.00 0.00 27.41 28.88 1mwn h HIS 25 CO 0.00 1.22 -0.75 0.15 0.86 0.00 0.00 177.93 179.40 1mwn s LYS 26 N -4.12 1.07 -0.30 2.45 1.02 -1.23 -4.63 119.74 114.00 1mwn s LYS 26 Ca -0.10 -1.31 -0.08 0.00 0.02 0.00 0.00 55.97 54.50 1mwn s LYS 26 Cb 0.10 -0.91 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 1mwn s LYS 26 CO 0.89 0.17 0.12 -0.51 -0.92 0.00 0.00 175.35 175.09 1mwn s LEU 27 N -2.64 3.99 0.56 3.17 1.43 -0.87 -4.83 118.68 119.50 1mwn s LEU 27 Ca 0.11 -0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 52.44 1mwn s LEU 27 Cb -0.04 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1mwn s LEU 27 CO 0.03 -0.20 1.00 -0.75 0.23 0.00 0.00 176.35 176.67 1mwn s LYS 28 N 1.55 3.80 0.34 1.70 2.20 -1.26 0.08 119.74 128.15 1mwn s LYS 28 Ca 0.03 0.86 0.15 0.00 -0.36 0.00 0.00 55.97 56.66 1mwn s LYS 28 Cb -0.17 -2.11 1.11 0.00 -1.51 0.00 0.00 37.83 35.14 1mwn s LYS 28 CO 0.04 -0.40 1.65 1.57 -0.36 0.00 0.00 175.35 177.85 1mwn h LYS 29 N 0.37 0.27 -0.85 4.03 2.10 -1.80 0.91 116.57 121.60 1mwn h LYS 29 Ca -0.46 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.19 1mwn h LYS 29 Cb 1.19 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 1mwn h LYS 29 CO 0.62 0.18 0.56 0.77 -2.00 0.00 0.00 179.45 179.57 1mwn h SER 30 N 0.28 0.98 -0.38 7.07 0.02 -1.90 0.34 113.55 119.96 1mwn h SER 30 Ca 0.74 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.50 1mwn h SER 30 Cb 1.72 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 1mwn h SER 30 CO -0.63 0.71 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.05 1mwn h GLU 31 N 1.15 0.94 -0.62 3.45 5.08 0.42 -2.79 114.58 122.21 1mwn h GLU 31 Ca 0.31 -0.50 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1mwn h GLU 31 Cb -0.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1mwn h GLU 31 CO -0.07 1.16 0.08 1.25 -1.00 0.00 0.00 179.01 180.43 1mwn h LEU 32 N 0.76 0.99 -0.96 1.33 5.85 -0.46 -1.93 115.31 120.89 1mwn h LEU 32 Ca 0.06 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1mwn h LEU 32 Cb 0.99 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1mwn h LEU 32 CO 0.10 1.00 0.63 0.50 -0.34 0.00 0.00 178.44 180.33 1mwn h LYS 33 N 0.96 1.26 -0.36 1.25 3.64 -0.18 0.48 116.57 123.64 1mwn h LYS 33 Ca 0.19 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 1mwn h LYS 33 Cb 0.45 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1mwn h LYS 33 CO 0.02 0.84 -0.44 1.49 -2.27 0.00 0.00 179.45 179.08 1mwn h GLU 34 N 1.30 0.92 0.02 1.90 4.57 -1.22 -0.37 114.58 121.70 1mwn h GLU 34 Ca 0.35 -0.52 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1mwn h GLU 34 Cb -0.15 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1mwn h GLU 34 CO -0.08 1.17 -0.01 1.25 -1.18 0.00 0.00 179.01 180.16 1mwn h LEU 35 N 0.74 -0.02 -0.30 1.64 5.85 -0.64 0.29 115.31 122.86 1mwn h LEU 35 Ca 0.05 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1mwn h LEU 35 Cb 1.04 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1mwn h LEU 35 CO 0.10 -0.02 -0.35 0.40 -0.34 0.00 0.00 178.44 178.24 1mwn h ILE 36 N -0.03 1.29 -0.46 4.05 2.04 -0.91 -0.83 117.51 122.67 1mwn h ILE 36 Ca -0.00 -1.53 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 1mwn h ILE 36 Cb 0.02 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1mwn h ILE 36 CO 0.00 0.49 -0.06 -1.13 0.00 0.00 0.00 178.15 177.46 1mwn h ASN 37 N 0.53 0.77 0.88 1.72 -1.24 -0.93 1.09 115.58 118.40 1mwn h ASN 37 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1mwn h ASN 37 Cb 0.93 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.78 1mwn h ASN 37 CO 0.08 0.87 -0.40 0.59 -1.29 0.00 0.00 177.43 177.29 1mwn n ASN 38 N -4.19 0.55 -0.05 1.15 5.03 0.10 -3.33 115.26 114.52 1mwn n ASN 38 Ca 0.02 0.15 -0.04 0.00 0.87 0.00 0.00 54.58 55.58 1mwn n ASN 38 Cb 0.33 -0.06 -0.11 0.00 -1.02 0.00 0.00 39.78 38.92 1mwn n ASN 38 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1mwn n GLU 39 N -1.86 1.44 -2.53 3.52 -0.58 -0.32 -4.54 120.64 115.76 1mwn n GLU 39 Ca 0.05 -0.04 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 1mwn n GLU 39 Cb 0.39 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 -2.40 5.75 0.00 -4.62 4.77 0.37 -4.93 117.00 115.94 1mwn n LEU 40 Ca -0.18 -5.31 0.00 0.00 -0.03 0.00 0.00 56.01 50.49 1mwn n LEU 40 Cb 0.82 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1mwn n LEU 40 CO 0.30 2.14 0.00 -1.54 -1.33 0.00 0.00 177.39 176.96 1mwn n SER 41 N -0.35 0.00 -0.00 -1.43 3.41 -1.21 -3.97 113.62 110.07 1mwn n SER 41 Ca 0.41 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.05 1mwn n SER 41 Cb 0.42 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1mwn n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1mwn n HIS 42 N 0.00 0.00 -0.32 7.33 8.25 -1.26 -3.93 115.22 125.28 1mwn n HIS 42 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1mwn n HIS 42 Cb 0.00 -0.15 0.16 0.00 1.12 0.00 0.00 29.99 31.12 1mwn n HIS 42 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1mwn h PHE 43 N 0.00 1.15 -3.26 4.41 3.57 -1.95 -3.44 116.94 117.42 1mwn h PHE 43 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1mwn h PHE 43 Cb 0.33 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1mwn h PHE 43 CO 0.00 0.72 0.00 1.28 -2.23 0.00 0.00 178.31 178.08 1mwn n LEU 44 N -4.40 0.00 -4.75 0.59 4.77 -1.26 -5.07 117.00 106.88 1mwn n LEU 44 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1mwn n LEU 44 Cb 0.02 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1mwn n LEU 44 CO 0.37 -0.02 1.26 -0.70 -1.33 0.00 0.00 177.39 176.96 1mwn s GLU 45 N 0.50 4.11 -0.33 3.23 -6.30 -1.26 -4.77 118.70 113.88 1mwn s GLU 45 Ca 0.00 2.61 -0.13 0.00 -2.50 0.00 0.00 54.97 54.94 1mwn s GLU 45 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 34.13 31.09 1mwn s GLU 45 CO 0.00 -0.65 0.27 -1.83 0.02 0.00 0.00 175.26 173.06 1mwn s GLU 46 N -0.51 3.60 -0.10 4.30 -1.05 -1.25 -4.60 118.70 119.09 1mwn s GLU 46 Ca 0.64 -0.52 -0.26 0.00 -0.15 0.00 0.00 54.97 54.67 1mwn s GLU 46 Cb -0.48 -3.78 -0.02 0.00 -0.44 0.00 0.00 34.13 29.40 1mwn s GLU 46 CO 0.48 -0.42 0.86 0.42 0.95 0.00 0.00 175.26 177.55 1mwn s ILE 47 N 1.81 4.91 0.00 1.83 -1.09 -1.26 -4.83 121.20 122.56 1mwn s ILE 47 Ca 0.08 1.74 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1mwn s ILE 47 Cb -0.17 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1mwn s ILE 47 CO 0.11 0.11 0.00 2.29 -1.23 0.00 0.00 174.94 176.22 1mwn n LYS 48 N 4.55 3.08 -4.36 2.79 -0.00 -1.26 -4.80 118.16 118.16 1mwn n LYS 48 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.11 1mwn n LYS 48 Cb 0.50 -0.29 -0.12 0.00 -0.00 0.00 0.00 35.03 35.12 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 -0.11 1.33 0.46 -1.58 2.02 -1.26 -5.01 118.70 114.56 1mwn s GLU 49 Ca 0.00 -1.40 0.25 0.00 0.02 0.00 0.00 54.97 53.84 1mwn s GLU 49 Cb 0.00 -1.54 1.02 0.00 0.10 0.00 0.00 34.13 33.71 1mwn s GLU 49 CO 0.00 0.33 1.87 -0.56 0.02 0.00 0.00 175.26 176.92 1mwn h GLN 50 N 3.42 0.00 -0.76 1.61 3.07 -1.99 -3.03 115.11 117.44 1mwn h GLN 50 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.29 1mwn h GLN 50 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.72 1mwn h GLN 50 CO 0.47 0.20 0.47 1.05 0.09 0.00 0.00 178.83 181.10 1mwn h GLU 51 N 0.00 1.02 -0.24 0.06 4.11 -1.97 1.35 114.58 118.90 1mwn h GLU 51 Ca -0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1mwn h GLU 51 Cb 0.68 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1mwn h GLU 51 CO 0.03 0.71 0.10 0.28 0.07 0.00 0.00 179.01 180.20 1mwn h VAL 52 N 1.03 1.16 -0.91 -1.06 2.07 -1.96 0.22 116.25 116.81 1mwn h VAL 52 Ca 0.27 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1mwn h VAL 52 Cb -0.06 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1mwn h VAL 52 CO -0.05 0.16 0.59 0.58 0.02 0.00 0.00 177.57 178.87 1mwn h VAL 53 N 0.25 1.24 -0.44 2.57 2.07 -1.38 0.83 116.25 121.38 1mwn h VAL 53 Ca 0.08 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1mwn h VAL 53 Cb 0.16 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1mwn h VAL 53 CO -0.01 0.24 -0.29 0.44 0.02 0.00 0.00 177.57 177.97 1mwn h ASP 54 N 1.24 1.02 -0.37 0.57 3.32 0.24 0.70 116.42 123.13 1mwn h ASP 54 Ca 0.33 -0.42 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 1mwn h ASP 54 Cb -0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 1mwn h ASP 54 CO -0.07 1.23 -0.40 0.11 -1.72 0.00 0.00 179.24 178.38 1mwn h LYS 55 N 0.82 0.93 -0.37 3.56 1.57 -0.03 0.15 116.57 123.21 1mwn h LYS 55 Ca 0.09 -0.50 -0.15 0.00 -1.87 0.00 0.00 60.65 58.21 1mwn h LYS 55 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1mwn h LYS 55 CO 0.08 1.16 -0.38 0.28 -0.57 0.00 0.00 179.45 180.02 1mwn h VAL 56 N 0.76 1.28 -0.33 0.50 2.07 0.86 -1.17 116.25 120.22 1mwn h VAL 56 Ca 0.06 -1.55 -0.18 0.00 0.82 0.00 0.00 66.70 65.85 1mwn h VAL 56 Cb 1.00 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1mwn h VAL 56 CO 0.10 0.52 -0.48 0.24 0.02 0.00 0.00 177.57 177.96 1mwn h MET 57 N 0.72 0.91 -0.29 1.57 2.86 0.54 0.60 114.93 121.84 1mwn h MET 57 Ca 0.06 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.12 1mwn h MET 57 Cb 0.96 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1mwn h MET 57 CO 0.09 1.18 -0.00 1.49 1.06 0.00 0.00 176.91 180.73 1mwn h GLU 58 N 0.72 0.44 -0.39 1.72 4.81 -0.59 3.66 114.58 124.96 1mwn h GLU 58 Ca 0.03 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1mwn h GLU 58 Cb 1.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1mwn h GLU 58 CO 0.11 0.47 -0.38 1.15 -0.73 0.00 0.00 179.01 179.63 1mwn h THR 59 N 0.43 1.27 0.00 0.32 2.02 -0.66 -3.17 112.91 113.11 1mwn h THR 59 Ca 0.09 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.65 1mwn h THR 59 Cb 0.29 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1mwn h THR 59 CO 0.01 0.52 -1.11 -0.11 0.37 0.00 0.00 175.52 175.20 1mwn n LEU 60 N -4.06 1.81 -3.42 2.58 -0.00 0.15 -4.58 117.00 109.49 1mwn n LEU 60 Ca -0.02 0.30 -0.40 0.00 -0.00 0.00 0.00 56.01 55.89 1mwn n LEU 60 Cb 0.55 -0.69 -0.02 0.00 -0.00 0.00 0.00 43.42 43.26 1mwn n LEU 60 CO 0.49 -0.20 2.90 0.47 -0.00 0.00 0.00 177.39 181.05 1mwn n ASP 61 N -4.29 8.13 0.00 1.96 8.00 1.21 -4.60 116.55 126.95 1mwn n ASP 61 Ca -0.18 -2.84 0.03 0.00 0.71 0.00 0.00 54.79 52.50 1mwn n ASP 61 Cb 0.51 -1.48 0.16 0.00 -0.02 0.00 0.00 41.12 40.29 1mwn n ASP 61 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1mwn n GLU 62 N 2.91 0.34 0.04 -1.24 2.13 -1.06 -1.16 120.64 122.61 1mwn n GLU 62 Ca 0.69 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.44 1mwn n GLU 62 Cb 0.25 -1.24 0.09 0.00 0.27 0.00 0.00 31.44 30.80 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1mwn h ASP 63 N 0.00 0.46 0.00 4.31 3.32 -1.85 -3.46 116.42 119.21 1mwn h ASP 63 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1mwn h ASP 63 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1mwn h ASP 63 CO 0.00 0.94 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 1mwn n GLY 64 N 0.25 0.54 0.00 2.75 0.00 -0.30 -4.85 105.19 103.58 1mwn n GLY 64 Ca -0.03 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 0.13 0.00 -2.38 1.61 5.75 -1.26 -4.83 116.55 115.56 1mwn n ASP 65 Ca 0.00 -0.85 -0.20 0.00 -0.01 0.00 0.00 54.79 53.73 1mwn n ASP 65 Cb 0.00 -0.03 0.00 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 0.88 -0.45 3.07 6.12 0.00 -1.26 -4.96 105.19 108.59 1mwn n GLY 66 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -5.12 0.46 -0.18 1.61 2.02 -1.26 -2.11 118.70 114.11 1mwn s GLU 67 Ca 0.06 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1mwn s GLU 67 Cb -0.03 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.42 1mwn s GLU 67 CO 0.08 -0.10 -0.10 0.00 0.02 0.00 0.00 175.26 175.16 1mwn s ASP 69 N 1.47 5.21 0.28 0.00 1.01 -1.26 -2.04 116.67 121.34 1mwn s ASP 69 Ca 0.00 1.08 0.01 0.00 0.71 0.00 0.00 52.55 54.36 1mwn s ASP 69 Cb -0.15 -1.83 0.53 0.00 1.01 0.00 0.00 42.92 42.48 1mwn s ASP 69 CO -0.09 -1.49 1.84 2.19 0.21 0.00 0.00 175.17 177.84 1mwn h PHE 70 N -0.76 1.16 -0.67 4.23 -5.15 -1.97 0.49 116.94 114.27 1mwn h PHE 70 Ca -0.45 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.32 1mwn h PHE 70 Cb 1.27 -0.37 -0.03 0.00 0.22 0.00 0.00 35.95 37.04 1mwn h PHE 70 CO 0.47 0.48 0.29 0.37 -2.00 0.00 0.00 178.31 177.92 1mwn h GLN 71 N 1.03 0.99 -0.38 6.09 4.15 -1.98 -1.98 115.11 123.02 1mwn h GLN 71 Ca 0.49 -0.17 -0.16 0.00 0.77 0.00 0.00 58.65 59.58 1mwn h GLN 71 Cb 0.43 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1mwn h GLN 71 CO -0.25 0.81 -0.40 0.93 -1.93 0.00 0.00 178.83 177.99 1mwn h GLU 72 N 0.94 0.94 -1.00 1.69 5.08 -1.22 -3.00 114.58 118.01 1mwn h GLU 72 Ca 0.23 -0.50 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1mwn h GLU 72 Cb 0.17 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1mwn h GLU 72 CO -0.02 1.16 0.66 0.35 -1.00 0.00 0.00 179.01 180.16 1mwn h PHE 73 N 0.76 1.25 -0.17 4.33 3.57 0.10 -0.62 116.94 126.16 1mwn h PHE 73 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1mwn h PHE 73 Cb 1.00 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1mwn h PHE 73 CO 0.06 0.77 0.07 0.52 -2.23 0.00 0.00 178.31 177.51 1mwn h MET 74 N 1.34 0.22 -0.06 1.11 2.86 -1.23 -1.33 114.93 117.84 1mwn h MET 74 Ca 0.37 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1mwn h MET 74 Cb -0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1mwn h MET 74 CO -0.09 0.19 -0.45 0.00 1.06 0.00 0.00 176.91 177.62 1mwn h ALA 75 N 1.85 1.15 -0.86 6.32 0.00 -1.01 -2.93 119.26 123.78 1mwn h ALA 75 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1mwn h ALA 75 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1mwn h ALA 75 CO -0.01 0.59 0.57 0.35 0.00 0.00 0.00 179.25 180.76 1mwn h PHE 76 N 0.11 1.08 -0.57 0.00 3.57 -1.01 0.30 116.94 120.41 1mwn h PHE 76 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 76 Cb 0.84 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1mwn h PHE 76 CO 0.01 0.68 0.36 0.28 -2.23 0.00 0.00 178.31 177.41 1mwn h VAL 77 N 1.17 1.16 -0.71 1.41 2.07 -1.52 -0.93 116.25 118.90 1mwn h VAL 77 Ca 0.31 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1mwn h VAL 77 Cb -0.14 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1mwn h VAL 77 CO -0.07 0.17 0.24 -1.28 0.02 0.00 0.00 177.57 176.65 1mwn h SER 78 N 0.78 1.01 -0.45 0.57 0.87 -1.22 0.88 113.55 115.98 1mwn h SER 78 Ca 0.21 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1mwn h SER 78 Cb -0.04 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 1mwn h SER 78 CO -0.04 0.94 0.25 -0.03 -0.53 0.00 0.00 176.83 177.42 1mwn h MET 79 N 1.03 0.63 0.00 2.24 -1.53 0.32 -0.73 114.93 116.90 1mwn h MET 79 Ca 0.23 -0.07 -0.20 0.00 -3.44 0.00 0.00 59.70 56.21 1mwn h MET 79 Cb 0.27 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 1mwn h MET 79 CO -0.01 0.50 -1.07 0.28 0.14 0.00 0.00 176.91 176.75 1mwn h VAL 80 N 0.60 1.32 -0.63 -5.77 2.07 -0.96 -2.92 116.25 109.96 1mwn h VAL 80 Ca 0.16 -2.98 -0.09 0.00 0.82 0.00 0.00 66.70 64.61 1mwn h VAL 80 Cb 0.05 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1mwn h VAL 80 CO -0.03 0.75 0.03 0.74 0.02 0.00 0.00 177.57 179.08 1mwn h THR 81 N 0.00 1.27 -0.22 2.57 2.02 0.10 -2.48 112.91 116.17 1mwn h THR 81 Ca -0.07 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 65.77 1mwn h THR 81 Cb 1.73 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1mwn h THR 81 CO 0.10 0.42 -0.65 0.71 0.37 0.00 0.00 175.52 176.47 1mwn h THR 82 N 1.00 1.28 -0.50 3.16 1.35 -1.20 -2.43 112.91 115.57 1mwn h THR 82 Ca 0.18 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1mwn h THR 82 Cb 0.54 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.74 1mwn h THR 82 CO 0.03 0.59 0.31 0.00 -0.25 0.00 0.00 175.52 176.20 1mwn h ALA 83 N 0.61 0.64 -0.37 6.62 0.00 -1.40 0.59 119.26 125.96 1mwn h ALA 83 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1mwn h ALA 83 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1mwn h ALA 83 CO 0.14 0.11 0.08 0.00 0.00 0.00 0.00 179.25 179.57 1mwn h HIS 85 N 0.45 1.18 -0.97 0.00 6.17 -1.07 -2.58 115.15 118.34 1mwn h HIS 85 Ca 0.11 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1mwn h HIS 85 Cb 0.33 -0.37 -0.05 0.00 2.52 0.00 0.00 27.41 29.85 1mwn h HIS 85 CO 0.02 0.86 0.61 0.93 0.71 0.00 0.00 177.93 181.06 1mwn h GLU 86 N 1.17 1.29 -5.95 5.26 4.39 -0.72 -3.38 114.58 116.64 1mwn h GLU 86 Ca 0.28 -0.10 -0.54 0.00 0.34 0.00 0.00 59.36 59.34 1mwn h GLU 86 Cb 0.12 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1mwn h GLU 86 CO -0.04 0.88 1.47 0.12 -1.16 0.00 0.00 179.01 180.28 1mwn s PHE 87 N -6.03 1.33 0.00 4.33 2.19 -0.97 -4.93 117.98 113.90 1mwn s PHE 87 Ca -0.13 0.86 0.00 0.00 0.33 0.00 0.00 56.93 57.99 1mwn s PHE 87 Cb 0.18 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 37.99 1mwn s PHE 87 CO 0.82 -3.25 0.00 1.97 1.83 0.00 0.00 175.22 176.59 1mwn n PHE 88 N 12.61 -0.68 -3.44 10.12 -1.74 -1.26 -4.99 117.46 128.07 1mwn n PHE 88 Ca 0.29 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.76 1mwn n PHE 88 Cb 0.49 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.39 1mwn n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1mwn s GLU 89 N 0.62 3.17 0.14 3.97 2.02 -1.26 -4.95 118.70 122.41 1mwn s GLU 89 Ca 0.00 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.99 1mwn s GLU 89 Cb 0.00 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 1mwn s GLU 89 CO 0.00 -0.68 1.80 1.25 0.02 0.00 0.00 175.26 177.65 1mwn h HIS 90 N 8.60 0.40 -0.01 1.61 -0.00 -2.02 -3.57 115.15 120.17 1mwn h HIS 90 Ca -0.28 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 1mwn h HIS 90 Cb 1.13 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1mwn h HIS 90 CO 0.60 0.25 0.00 -1.91 -0.00 0.00 0.00 177.93 176.88