#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 1.09 -0.11 4.33 4.57 -2.06 -2.16 114.58 120.25 1mwn h GLU 2 Ca 0.00 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 57.89 1mwn h GLU 2 Cb 0.00 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1mwn h GLU 2 CO 0.00 1.04 0.23 1.25 -1.18 0.00 0.00 179.01 180.35 1mwn h LEU 3 N 1.01 0.00 0.26 1.64 5.85 -2.04 -2.41 115.31 119.61 1mwn h LEU 3 Ca 0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1mwn h LEU 3 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1mwn h LEU 3 CO 0.02 0.00 -0.13 -0.08 -0.34 0.00 0.00 178.44 177.91 1mwn h GLU 4 N 0.00 -0.35 -0.09 1.25 4.57 -1.82 0.20 114.58 118.33 1mwn h GLU 4 Ca 0.05 0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 58.03 1mwn h GLU 4 Cb 0.51 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1mwn h GLU 4 CO -0.00 -0.23 -0.81 1.57 -1.18 0.00 0.00 179.01 178.36 1mwn h LYS 5 N -0.36 0.71 -0.78 1.92 2.10 -1.60 -3.13 116.57 115.42 1mwn h LYS 5 Ca -0.03 -0.64 -0.04 0.00 -2.00 0.00 0.00 60.65 57.93 1mwn h LYS 5 Cb 0.29 0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 1mwn h LYS 5 CO 0.05 1.24 0.32 0.00 -2.00 0.00 0.00 179.45 179.06 1mwn h ALA 6 N 0.48 1.02 -0.88 0.07 0.00 -1.45 -2.50 119.26 116.00 1mwn h ALA 6 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1mwn h ALA 6 Cb 1.45 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1mwn h ALA 6 CO 0.16 0.63 0.57 1.98 0.00 0.00 0.00 179.25 182.59 1mwn h MET 7 N 1.13 1.17 -0.98 0.00 1.85 -0.64 -1.66 114.93 115.81 1mwn h MET 7 Ca 0.26 -0.08 0.01 0.00 -0.61 0.00 0.00 59.70 59.27 1mwn h MET 7 Cb 0.20 -0.26 -0.05 0.00 0.43 0.00 0.00 31.60 31.93 1mwn h MET 7 CO -0.02 0.79 0.63 0.28 -0.40 0.00 0.00 176.91 178.19 1mwn h VAL 8 N 1.20 1.26 -0.69 -5.77 2.07 -1.41 -2.32 116.25 110.58 1mwn h VAL 8 Ca 0.32 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1mwn h VAL 8 Cb -0.11 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.46 1mwn h VAL 8 CO -0.07 0.25 0.27 0.00 0.02 0.00 0.00 177.57 178.05 1mwn h ALA 9 N 1.35 0.90 -0.85 1.67 0.00 -0.90 -2.63 119.26 118.80 1mwn h ALA 9 Ca 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1mwn h ALA 9 Cb -0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1mwn h ALA 9 CO -0.07 0.52 0.40 -0.07 0.00 0.00 0.00 179.25 180.03 1mwn h LEU 10 N 0.98 1.12 -0.76 0.00 3.38 -0.85 0.42 115.31 119.60 1mwn h LEU 10 Ca 0.23 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1mwn h LEU 10 Cb 0.22 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1mwn h LEU 10 CO -0.02 0.95 0.29 0.40 0.09 0.00 0.00 178.44 180.15 1mwn h ILE 11 N 1.21 1.26 -0.39 1.22 2.04 -1.22 -1.46 117.51 120.17 1mwn h ILE 11 Ca 0.29 -0.83 -0.16 0.00 1.00 0.00 0.00 64.86 65.17 1mwn h ILE 11 Cb 0.13 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1mwn h ILE 11 CO -0.03 0.33 -0.38 -0.78 0.00 0.00 0.00 178.15 177.29 1mwn h ASP 12 N 1.10 1.00 -0.66 1.72 1.82 -1.08 -2.68 116.42 117.64 1mwn h ASP 12 Ca 0.25 -0.46 0.04 0.00 -0.39 0.00 0.00 57.03 56.47 1mwn h ASP 12 Cb 0.23 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.92 1mwn h ASP 12 CO -0.02 1.26 0.44 0.58 -1.61 0.00 0.00 179.24 179.89 1mwn h VAL 13 N 0.77 1.08 -0.01 2.25 2.07 -0.56 0.67 116.25 122.52 1mwn h VAL 13 Ca 0.06 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1mwn h VAL 13 Cb 0.97 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1mwn h VAL 13 CO 0.09 0.14 0.01 0.15 0.02 0.00 0.00 177.57 177.98 1mwn h PHE 14 N 0.77 0.02 0.00 1.57 3.57 -0.93 -2.91 116.94 119.03 1mwn h PHE 14 Ca 0.27 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 1mwn h PHE 14 Cb 0.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1mwn h PHE 14 CO -0.00 0.01 -0.52 0.45 -2.23 0.00 0.00 178.31 176.02 1mwn h HIS 15 N 0.02 0.00 -0.62 0.41 3.86 -1.22 -2.79 115.15 114.80 1mwn h HIS 15 Ca 0.01 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1mwn h HIS 15 Cb -0.00 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1mwn h HIS 15 CO -0.08 0.41 0.41 0.37 0.86 0.00 0.00 177.93 179.91 1mwn h GLN 16 N 0.00 0.82 0.00 2.45 4.15 0.54 -3.16 115.11 119.90 1mwn h GLN 16 Ca -0.02 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.17 1mwn h GLN 16 Cb 1.33 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.80 1mwn h GLN 16 CO 0.05 0.54 -1.70 2.48 -1.93 0.00 0.00 178.83 178.27 1mwn n TYR 17 N -4.65 0.00 -0.38 3.99 0.18 -1.20 -4.49 117.16 110.61 1mwn n TYR 17 Ca 0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.81 1mwn n TYR 17 Cb 0.02 -0.50 0.12 0.00 -0.38 0.00 0.00 39.34 38.60 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1mwn h SER 18 N 0.00 1.14 -0.12 9.48 0.87 -1.62 -0.50 113.55 122.80 1mwn h SER 18 Ca -0.28 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1mwn h SER 18 Cb 1.63 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1mwn h SER 18 CO 0.01 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 177.74 1mwn n GLY 19 N -1.38 -0.40 0.26 5.77 0.00 -1.19 -3.97 105.19 104.27 1mwn n GLY 19 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 0.69 0.88 -2.84 1.61 2.43 -1.31 -3.47 114.38 112.37 1mwn h ARG 20 Ca 0.00 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1mwn h ARG 20 Cb 0.17 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 29.54 1mwn h ARG 20 CO 0.00 0.88 0.28 -1.83 -1.51 0.00 0.00 179.97 177.80 1mwn s GLU 21 N -5.10 1.42 3.24 0.20 -1.05 -1.25 -5.13 118.70 111.02 1mwn s GLU 21 Ca -0.12 -0.68 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 1mwn s GLU 21 Cb 0.12 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 1mwn s GLU 21 CO 0.82 -0.64 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1mwn n GLY 22 N -0.41 0.16 3.72 -3.83 0.00 -1.26 -4.71 105.19 98.87 1mwn n GLY 22 Ca -0.10 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 7.37 0.15 1.61 1.01 -1.26 -4.94 116.67 116.61 1mwn s ASP 23 Ca 0.00 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.00 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 -0.20 1.50 0.11 0.21 0.00 0.00 175.17 176.79 1mwn h LYS 24 N 5.94 0.96 0.00 8.23 1.57 -1.84 -3.04 116.57 128.39 1mwn h LYS 24 Ca -0.43 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 57.88 1mwn h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1mwn h LYS 24 CO 0.74 1.14 0.00 0.45 -0.57 0.00 0.00 179.45 181.21 1mwn h HIS 25 N 0.79 0.00 -3.37 -1.35 3.86 -1.92 -3.42 115.15 109.74 1mwn h HIS 25 Ca 0.07 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.90 1mwn h HIS 25 Cb 0.94 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.24 1mwn h HIS 25 CO 0.06 0.00 -0.74 0.15 0.86 0.00 0.00 177.93 178.26 1mwn s LYS 26 N -3.45 1.09 -0.04 2.45 1.02 -1.15 -4.60 119.74 115.06 1mwn s LYS 26 Ca 0.04 -1.38 0.06 0.00 0.02 0.00 0.00 55.97 54.70 1mwn s LYS 26 Cb 0.08 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 1mwn s LYS 26 CO 0.57 0.14 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.41 1mwn s LEU 27 N -2.88 2.34 0.07 3.17 1.43 -1.11 -4.33 118.68 117.37 1mwn s LEU 27 Ca 0.14 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1mwn s LEU 27 Cb -0.01 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1mwn s LEU 27 CO 0.03 0.31 -0.02 -0.75 0.23 0.00 0.00 176.35 176.15 1mwn s LYS 28 N -0.56 2.53 0.39 1.70 2.20 -1.26 -0.85 119.74 123.89 1mwn s LYS 28 Ca 0.08 -0.81 0.25 0.00 -0.36 0.00 0.00 55.97 55.13 1mwn s LYS 28 Cb -0.11 -2.53 1.37 0.00 -1.51 0.00 0.00 37.83 35.05 1mwn s LYS 28 CO 0.00 0.56 1.53 0.36 -0.36 0.00 0.00 175.35 177.45 1mwn n LYS 29 N 0.85 -0.05 -0.24 4.03 2.85 -1.25 0.19 118.16 124.53 1mwn n LYS 29 Ca -0.12 1.30 -0.06 0.00 -1.05 0.00 0.00 58.31 58.38 1mwn n LYS 29 Cb 0.52 -2.42 0.04 0.00 -0.65 0.00 0.00 35.03 32.53 1mwn n LYS 29 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1mwn h SER 30 N 0.00 0.83 -0.34 -5.58 4.64 -1.93 0.89 113.55 112.05 1mwn h SER 30 Ca 0.84 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.91 1mwn h SER 30 Cb 2.41 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 64.28 1mwn h SER 30 CO -0.64 0.69 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.31 1mwn h GLU 31 N 0.91 0.89 -0.89 4.77 5.08 0.16 -2.94 114.58 122.57 1mwn h GLU 31 Ca 0.23 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1mwn h GLU 31 Cb 0.04 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1mwn h GLU 31 CO -0.04 1.11 0.47 1.25 -1.00 0.00 0.00 179.01 180.80 1mwn h LEU 32 N 0.73 1.13 -1.00 1.33 5.85 -0.64 -1.26 115.31 121.45 1mwn h LEU 32 Ca 0.06 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1mwn h LEU 32 Cb 0.95 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 1mwn h LEU 32 CO 0.09 0.92 0.63 0.50 -0.34 0.00 0.00 178.44 180.24 1mwn h LYS 33 N 1.26 0.94 -0.38 1.25 3.64 -0.66 0.13 116.57 122.75 1mwn h LYS 33 Ca 0.31 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1mwn h LYS 33 Cb 0.06 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1mwn h LYS 33 CO -0.05 0.62 -0.39 1.49 -2.27 0.00 0.00 179.45 178.86 1mwn h GLU 34 N 0.97 0.95 0.17 1.90 4.57 -1.26 -1.15 114.58 120.74 1mwn h GLU 34 Ca 0.50 -0.50 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1mwn h GLU 34 Cb 0.52 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1mwn h GLU 34 CO -0.27 1.16 -0.09 1.25 -1.18 0.00 0.00 179.01 179.87 1mwn h LEU 35 N 0.77 -0.22 -0.59 1.64 5.85 0.27 2.23 115.31 125.25 1mwn h LEU 35 Ca 0.06 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1mwn h LEU 35 Cb 0.99 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1mwn h LEU 35 CO 0.10 -0.15 -0.01 0.40 -0.34 0.00 0.00 178.44 178.44 1mwn h ILE 36 N -0.24 1.27 0.00 4.05 2.04 -0.97 0.11 117.51 123.77 1mwn h ILE 36 Ca -0.02 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1mwn h ILE 36 Cb 0.20 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1mwn h ILE 36 CO 0.03 0.42 -0.26 -1.13 0.00 0.00 0.00 178.15 177.21 1mwn h ASN 37 N 0.95 0.00 0.87 1.72 -1.24 -0.95 0.53 115.58 117.45 1mwn h ASN 37 Ca 0.17 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.99 1mwn h ASN 37 Cb 0.56 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.58 1mwn h ASN 37 CO 0.03 0.26 -1.22 -1.13 -1.29 0.00 0.00 177.43 174.08 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -1.24 0.40 -3.12 115.58 112.77 1mwn h ASN 38 Ca -0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1mwn h ASN 38 Cb 1.16 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.17 1mwn h ASN 38 CO 0.03 0.73 -1.79 -0.62 -1.29 0.00 0.00 177.43 174.49 1mwn n GLU 39 N -3.07 1.45 -2.40 6.67 1.02 0.00 -4.63 120.64 119.68 1mwn n GLU 39 Ca -0.07 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1mwn n GLU 39 Cb 0.88 -1.29 0.01 0.00 -0.02 0.00 0.00 31.44 31.02 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1mwn n LEU 40 N -2.62 5.44 0.41 -4.62 4.77 0.18 -4.79 117.00 115.78 1mwn n LEU 40 Ca -0.21 -5.19 -0.16 0.00 -0.03 0.00 0.00 56.01 50.42 1mwn n LEU 40 Cb 0.83 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1mwn n LEU 40 CO 0.20 2.13 0.53 0.28 -1.33 0.00 0.00 177.39 179.21 1mwn h SER 41 N 2.78 -0.92 0.00 -1.43 0.02 -1.50 -3.38 113.55 109.11 1mwn h SER 41 Ca 0.35 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1mwn h SER 41 Cb 0.65 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1mwn h SER 41 CO 0.99 -0.64 0.00 1.57 -1.14 0.00 0.00 176.83 177.61 1mwn n HIS 42 N -4.89 0.00 -0.34 3.45 -0.00 -1.26 -3.83 115.22 108.36 1mwn n HIS 42 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.56 1mwn n HIS 42 Cb 0.42 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.50 1mwn n HIS 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1mwn h PHE 43 N 0.00 1.16 0.00 1.57 3.57 -1.87 -3.44 116.94 117.94 1mwn h PHE 43 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1mwn h PHE 43 Cb 0.10 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.46 1mwn h PHE 43 CO 0.00 0.75 0.00 1.28 -2.23 0.00 0.00 178.31 178.11 1mwn n LEU 44 N -4.42 0.00 -4.85 0.59 4.77 -1.26 -5.10 117.00 106.73 1mwn n LEU 44 Ca 0.10 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 1mwn n LEU 44 Cb 0.04 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1mwn n LEU 44 CO 0.37 0.00 0.09 -0.70 -1.33 0.00 0.00 177.39 175.83 1mwn s GLU 45 N 0.88 3.86 -0.30 3.23 -6.30 -1.26 -5.04 118.70 113.78 1mwn s GLU 45 Ca 0.00 0.34 -0.12 0.00 -2.50 0.00 0.00 54.97 52.69 1mwn s GLU 45 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 34.13 30.94 1mwn s GLU 45 CO 0.00 0.65 0.20 -2.00 0.02 0.00 0.00 175.26 174.14 1mwn s GLU 46 N -1.33 3.77 -0.45 4.30 2.12 -1.25 -4.45 118.70 121.41 1mwn s GLU 46 Ca 0.26 -0.45 -0.21 0.00 0.36 0.00 0.00 54.97 54.94 1mwn s GLU 46 Cb -0.16 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.56 1mwn s GLU 46 CO 0.15 -0.28 0.69 0.42 -0.54 0.00 0.00 175.26 175.70 1mwn s ILE 47 N 1.74 4.77 0.00 -3.70 -1.09 -1.26 -4.77 121.20 116.89 1mwn s ILE 47 Ca 0.07 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1mwn s ILE 47 Cb -0.16 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1mwn s ILE 47 CO 0.11 -0.66 0.00 2.29 -1.23 0.00 0.00 174.94 175.45 1mwn n LYS 48 N 6.41 4.21 -4.79 2.79 0.00 -1.26 -4.93 118.16 120.59 1mwn n LYS 48 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 1mwn n LYS 48 Cb 0.48 -0.63 -0.14 0.00 -0.00 0.00 0.00 35.03 34.74 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 -1.22 1.61 0.55 -1.58 2.02 -1.26 -5.00 118.70 113.83 1mwn s GLU 49 Ca 0.00 -1.03 0.33 0.00 0.02 0.00 0.00 54.97 54.30 1mwn s GLU 49 Cb 0.00 -1.76 1.39 0.00 0.10 0.00 0.00 34.13 33.87 1mwn s GLU 49 CO 0.00 0.45 2.00 -0.56 0.02 0.00 0.00 175.26 177.17 1mwn h GLN 50 N 4.84 0.00 -0.73 1.61 3.07 -1.99 -2.94 115.11 118.96 1mwn h GLN 50 Ca -0.45 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.30 1mwn h GLN 50 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.67 1mwn h GLN 50 CO 0.44 0.02 0.48 1.05 0.09 0.00 0.00 178.83 180.91 1mwn h GLU 51 N 0.00 0.97 -0.00 0.06 4.11 -1.97 1.72 114.58 119.47 1mwn h GLU 51 Ca -0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1mwn h GLU 51 Cb 0.50 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mwn h GLU 51 CO 0.00 0.64 0.00 0.28 0.07 0.00 0.00 179.01 180.01 1mwn h VAL 52 N 1.00 1.05 -0.67 -1.06 2.07 -1.94 0.60 116.25 117.31 1mwn h VAL 52 Ca 0.27 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1mwn h VAL 52 Cb -0.11 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1mwn h VAL 52 CO -0.06 0.04 0.42 0.58 0.02 0.00 0.00 177.57 178.57 1mwn h VAL 53 N -0.06 1.18 -0.27 2.57 2.07 -1.47 2.31 116.25 122.59 1mwn h VAL 53 Ca 0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1mwn h VAL 53 Cb 0.06 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1mwn h VAL 53 CO -0.00 0.18 0.11 -0.78 0.02 0.00 0.00 177.57 177.11 1mwn h ASP 54 N 0.90 0.36 -0.19 0.57 1.82 0.32 2.29 116.42 122.49 1mwn h ASP 54 Ca 0.24 -0.15 -0.15 0.00 -0.39 0.00 0.00 57.03 56.58 1mwn h ASP 54 Cb -0.06 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 1mwn h ASP 54 CO -0.05 0.41 -0.44 0.50 -1.61 0.00 0.00 179.24 178.05 1mwn h LYS 55 N 0.29 0.74 0.00 0.28 3.64 0.80 -1.31 116.57 121.01 1mwn h LYS 55 Ca 0.09 -0.41 -0.18 0.00 -1.27 0.00 0.00 60.65 58.88 1mwn h LYS 55 Cb 0.16 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1mwn h LYS 55 CO -0.01 1.03 -0.87 0.28 -2.27 0.00 0.00 179.45 177.61 1mwn h VAL 56 N 0.60 1.60 -0.35 2.00 2.07 0.42 -2.99 116.25 119.60 1mwn h VAL 56 Ca 0.04 -2.91 -0.16 0.00 0.82 0.00 0.00 66.70 64.49 1mwn h VAL 56 Cb 0.99 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1mwn h VAL 56 CO 0.09 0.83 -0.42 -0.03 0.02 0.00 0.00 177.57 178.07 1mwn h MET 57 N 0.01 0.90 0.00 1.57 1.85 0.40 -2.19 114.93 117.47 1mwn h MET 57 Ca -0.01 -0.50 -0.01 0.00 -0.61 0.00 0.00 59.70 58.57 1mwn h MET 57 Cb 1.52 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.59 1mwn h MET 57 CO 0.12 1.15 -0.03 1.49 -0.40 0.00 0.00 176.91 179.24 1mwn h GLU 58 N 0.70 0.00 0.00 0.39 4.81 -1.21 3.03 114.58 122.30 1mwn h GLU 58 Ca 0.05 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1mwn h GLU 58 Cb 1.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1mwn h GLU 58 CO 0.10 0.03 -0.28 1.15 -0.73 0.00 0.00 179.01 179.28 1mwn h THR 59 N 0.00 0.93 0.00 0.32 2.02 -1.25 -3.16 112.91 111.78 1mwn h THR 59 Ca -0.00 -1.06 -0.28 0.00 0.77 0.00 0.00 66.41 65.84 1mwn h THR 59 Cb 0.05 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1mwn h THR 59 CO 0.00 0.27 -1.99 0.18 0.37 0.00 0.00 175.52 174.35 1mwn n LEU 60 N -3.82 2.08 -3.28 2.58 4.77 0.30 -4.60 117.00 115.04 1mwn n LEU 60 Ca -0.01 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1mwn n LEU 60 Cb 0.37 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1mwn n LEU 60 CO 0.35 0.57 3.06 -0.67 -1.33 0.00 0.00 177.39 179.37 1mwn n ASP 61 N -3.43 8.42 0.00 -1.43 -0.08 0.99 -4.57 116.55 116.44 1mwn n ASP 61 Ca -0.33 -2.72 0.04 0.00 -1.51 0.00 0.00 54.79 50.27 1mwn n ASP 61 Cb 0.78 -1.50 0.24 0.00 2.34 0.00 0.00 41.12 42.98 1mwn n ASP 61 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1mwn n GLU 62 N 3.02 0.27 0.01 -0.67 2.13 -1.19 -0.03 120.64 124.18 1mwn n GLU 62 Ca 0.73 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.42 1mwn n GLU 62 Cb 0.27 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.37 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 0.18 0.00 4.31 3.32 -1.88 -3.47 116.42 118.88 1mwn h ASP 63 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 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 1.28 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 1mwn n GLY 64 N 1.65 0.47 0.18 2.75 0.00 0.96 -4.86 105.19 106.34 1mwn n GLY 64 Ca -0.18 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.57 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 0.59 0.54 -2.37 1.61 5.75 -1.26 -4.85 116.55 116.56 1mwn n ASP 65 Ca 0.00 -1.77 -0.15 0.00 -0.01 0.00 0.00 54.79 52.85 1mwn n ASP 65 Cb 0.00 -0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.77 -0.05 3.17 6.12 0.00 -1.26 -5.01 105.19 108.93 1mwn n GLY 66 Ca 0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.67 0.63 -0.20 1.61 2.12 -1.26 -3.94 118.70 112.00 1mwn s GLU 67 Ca 0.32 -0.48 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 1mwn s GLU 67 Cb -0.14 0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.57 1mwn s GLU 67 CO 0.40 -0.17 0.01 0.00 -0.54 0.00 0.00 175.26 174.95 1mwn s ASP 69 N 1.73 4.96 0.28 0.00 1.01 -1.26 -2.76 116.67 120.63 1mwn s ASP 69 Ca -0.02 1.06 0.01 0.00 0.71 0.00 0.00 52.55 54.32 1mwn s ASP 69 Cb -0.17 -1.77 0.58 0.00 1.01 0.00 0.00 42.92 42.57 1mwn s ASP 69 CO -0.07 -1.64 1.78 2.19 0.21 0.00 0.00 175.17 177.64 1mwn h PHE 70 N -0.87 0.93 -0.71 4.23 -5.15 -1.99 0.53 116.94 113.92 1mwn h PHE 70 Ca -0.46 0.03 -0.04 0.00 -0.20 0.00 0.00 57.97 57.30 1mwn h PHE 70 Cb 1.28 -0.28 -0.03 0.00 0.22 0.00 0.00 35.95 37.14 1mwn h PHE 70 CO 0.44 0.26 0.28 0.37 -2.00 0.00 0.00 178.31 177.66 1mwn h GLN 71 N 0.75 1.06 -0.35 6.09 4.15 -1.98 0.79 115.11 125.62 1mwn h GLN 71 Ca 0.50 -0.19 -0.17 0.00 0.77 0.00 0.00 58.65 59.55 1mwn h GLN 71 Cb 0.66 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1mwn h GLN 71 CO -0.34 0.88 -0.44 0.93 -1.93 0.00 0.00 178.83 177.93 1mwn h GLU 72 N 1.01 0.91 -0.58 1.69 5.08 -0.97 -2.85 114.58 118.87 1mwn h GLU 72 Ca 0.24 -0.52 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1mwn h GLU 72 Cb 0.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1mwn h GLU 72 CO -0.02 1.16 0.04 0.35 -1.00 0.00 0.00 179.01 179.55 1mwn h PHE 73 N 0.72 1.05 -0.26 4.33 3.57 0.14 -2.24 116.94 124.25 1mwn h PHE 73 Ca 0.04 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1mwn h PHE 73 Cb 1.04 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1mwn h PHE 73 CO 0.07 0.92 0.18 1.98 -2.23 0.00 0.00 178.31 179.22 1mwn h MET 74 N 0.91 0.34 0.00 1.11 4.05 -0.72 -0.59 114.93 120.03 1mwn h MET 74 Ca 0.17 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1mwn h MET 74 Cb 0.48 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1mwn h MET 74 CO 0.02 0.22 -0.46 0.00 0.23 0.00 0.00 176.91 176.92 1mwn h ALA 75 N 1.84 1.21 -0.78 0.39 0.00 -1.17 -2.81 119.26 117.94 1mwn h ALA 75 Ca 0.10 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1mwn h ALA 75 Cb -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1mwn h ALA 75 CO -0.02 0.58 0.48 0.35 0.00 0.00 0.00 179.25 180.63 1mwn h PHE 76 N 0.00 0.89 -0.56 0.00 3.57 -0.99 0.42 116.94 120.27 1mwn h PHE 76 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mwn h PHE 76 Cb 0.83 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1mwn h PHE 76 CO 0.00 0.47 0.37 0.28 -2.23 0.00 0.00 178.31 177.20 1mwn h VAL 77 N 0.90 1.15 -0.51 1.41 2.07 -1.50 -0.22 116.25 119.55 1mwn h VAL 77 Ca 0.33 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1mwn h VAL 77 Cb 0.11 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1mwn h VAL 77 CO -0.15 0.14 0.32 0.77 0.02 0.00 0.00 177.57 178.67 1mwn h SER 78 N 0.76 0.60 -0.27 0.57 4.64 -0.90 1.33 113.55 120.28 1mwn h SER 78 Ca 0.21 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1mwn h SER 78 Cb -0.08 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1mwn h SER 78 CO -0.04 0.46 0.16 -0.03 -0.87 0.00 0.00 176.83 176.51 1mwn h MET 79 N 0.68 0.38 0.00 4.77 -1.53 0.43 -0.32 114.93 119.34 1mwn h MET 79 Ca 0.18 -0.04 -0.17 0.00 -3.44 0.00 0.00 59.70 56.23 1mwn h MET 79 Cb -0.04 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 30.91 1mwn h MET 79 CO -0.04 0.31 -0.81 0.28 0.14 0.00 0.00 176.91 176.80 1mwn h VAL 80 N 0.33 1.45 -0.69 -5.77 2.07 -0.74 -3.00 116.25 109.90 1mwn h VAL 80 Ca 0.10 -2.91 -0.07 0.00 0.82 0.00 0.00 66.70 64.63 1mwn h VAL 80 Cb 0.04 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1mwn h VAL 80 CO -0.02 0.79 0.14 0.74 0.02 0.00 0.00 177.57 179.25 1mwn h THR 81 N 0.00 1.26 -0.56 2.57 2.02 0.20 -2.69 112.91 115.72 1mwn h THR 81 Ca -0.01 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.07 1mwn h THR 81 Cb 1.56 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1mwn h THR 81 CO 0.11 0.38 -0.05 0.71 0.37 0.00 0.00 175.52 177.03 1mwn h THR 82 N 1.05 1.26 -0.95 3.16 1.35 -1.06 -2.84 112.91 114.90 1mwn h THR 82 Ca 0.21 -1.19 0.01 0.00 -0.55 0.00 0.00 66.41 64.89 1mwn h THR 82 Cb 0.41 0.89 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 1mwn h THR 82 CO 0.01 0.43 0.62 0.00 -0.25 0.00 0.00 175.52 176.32 1mwn h ALA 83 N 1.01 1.20 -0.61 6.62 0.00 -1.34 -0.10 119.26 126.05 1mwn h ALA 83 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1mwn h ALA 83 Cb 0.60 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1mwn h ALA 83 CO 0.04 0.61 0.33 0.00 0.00 0.00 0.00 179.25 180.23 1mwn h HIS 85 N 0.82 1.16 -1.00 0.00 6.17 -1.13 -2.54 115.15 118.63 1mwn h HIS 85 Ca 0.21 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 61.22 1mwn h HIS 85 Cb 0.05 -0.35 -0.05 0.00 2.52 0.00 0.00 27.41 29.58 1mwn h HIS 85 CO -0.01 0.88 0.66 1.49 0.71 0.00 0.00 177.93 181.67 1mwn h GLU 86 N 1.12 1.32 -6.03 5.26 4.81 -0.44 -3.39 114.58 117.23 1mwn h GLU 86 Ca 0.26 -0.08 -0.57 0.00 -0.13 0.00 0.00 59.36 58.84 1mwn h GLU 86 Cb 0.22 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1mwn h GLU 86 CO -0.02 0.87 1.44 0.12 -0.73 0.00 0.00 179.01 180.69 1mwn s PHE 87 N -6.11 1.38 -0.24 0.92 2.19 -0.85 -4.92 117.98 110.34 1mwn s PHE 87 Ca -0.13 0.71 -0.14 0.00 0.33 0.00 0.00 56.93 57.70 1mwn s PHE 87 Cb 0.18 -3.95 -0.04 0.00 -1.31 0.00 0.00 43.02 37.89 1mwn s PHE 87 CO 0.82 -3.45 0.31 -0.06 1.83 0.00 0.00 175.22 174.67 1mwn s PHE 88 N 8.40 3.30 -0.57 10.12 0.08 -1.26 -4.99 117.98 133.05 1mwn s PHE 88 Ca 0.92 0.40 -0.26 0.00 0.12 0.00 0.00 56.93 58.11 1mwn s PHE 88 Cb -0.27 -2.46 -0.06 0.00 -0.57 0.00 0.00 43.02 39.67 1mwn s PHE 88 CO 0.33 -0.08 2.19 -2.00 -0.10 0.00 0.00 175.22 175.56 1mwn s GLU 89 N 1.54 2.27 0.21 0.44 2.56 -1.26 -4.79 118.70 119.67 1mwn s GLU 89 Ca 0.14 0.98 -0.10 0.00 0.00 0.00 0.00 54.97 55.99 1mwn s GLU 89 Cb -0.15 -4.55 0.16 0.00 2.00 0.00 0.00 34.13 31.59 1mwn s GLU 89 CO 0.08 -3.18 1.86 1.25 -0.56 0.00 0.00 175.26 174.71 1mwn h HIS 90 N 17.10 1.02 0.00 5.30 -0.00 -2.02 -3.57 115.15 132.98 1mwn h HIS 90 Ca -0.22 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1mwn h HIS 90 Cb 1.20 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1mwn h HIS 90 CO 1.02 0.68 0.00 0.39 -0.00 0.00 0.00 177.93 180.01