#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 1.32 -0.18 1.43 4.81 -2.06 -1.76 114.58 118.14 1mwn h GLU 2 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1mwn h GLU 2 Cb 0.00 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 1mwn h GLU 2 CO 0.00 0.89 0.12 1.25 -0.73 0.00 0.00 179.01 180.54 1mwn h LEU 3 N 1.35 0.21 0.18 1.64 6.46 -2.05 -2.36 115.31 120.73 1mwn h LEU 3 Ca 0.36 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.10 1mwn h LEU 3 Cb -0.12 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1mwn h LEU 3 CO -0.07 0.15 -0.09 -0.08 -0.62 0.00 0.00 178.44 177.73 1mwn h GLU 4 N 0.24 -0.23 -0.13 1.25 4.81 -1.76 0.22 114.58 118.98 1mwn h GLU 4 Ca 0.07 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1mwn h GLU 4 Cb -0.03 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1mwn h GLU 4 CO -0.01 -0.16 -0.48 1.57 -0.73 0.00 0.00 179.01 179.20 1mwn h LYS 5 N -0.24 0.34 -0.82 1.92 5.09 -1.60 -2.87 116.57 118.38 1mwn h LYS 5 Ca -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 60.65 60.49 1mwn h LYS 5 Cb 0.19 0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.49 1mwn h LYS 5 CO 0.04 0.75 0.35 0.00 -2.09 0.00 0.00 179.45 178.50 1mwn h ALA 6 N 1.22 1.07 -0.85 0.07 0.00 -1.07 -2.32 119.26 117.39 1mwn h ALA 6 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1mwn h ALA 6 Cb 0.94 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1mwn h ALA 6 CO 0.08 0.67 0.56 1.98 0.00 0.00 0.00 179.25 182.54 1mwn h MET 7 N 1.19 1.12 -1.01 0.00 1.85 -0.36 -1.62 114.93 116.10 1mwn h MET 7 Ca 0.28 -0.07 0.01 0.00 -0.61 0.00 0.00 59.70 59.31 1mwn h MET 7 Cb 0.19 -0.25 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 1mwn h MET 7 CO -0.03 0.74 0.67 0.28 -0.40 0.00 0.00 176.91 178.17 1mwn h VAL 8 N 1.15 1.25 -0.65 -5.77 2.07 -1.31 -1.54 116.25 111.45 1mwn h VAL 8 Ca 0.31 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1mwn h VAL 8 Cb -0.13 -0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.39 1mwn h VAL 8 CO -0.07 0.25 0.27 0.00 0.02 0.00 0.00 177.57 178.04 1mwn h ALA 9 N 1.38 0.84 -0.80 1.67 0.00 -1.15 -1.64 119.26 119.56 1mwn h ALA 9 Ca 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1mwn h ALA 9 Cb -0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1mwn h ALA 9 CO -0.08 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.86 1mwn h LEU 10 N 0.91 1.11 -0.53 0.00 3.38 -0.90 0.82 115.31 120.10 1mwn h LEU 10 Ca 0.22 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1mwn h LEU 10 Cb 0.19 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1mwn h LEU 10 CO -0.02 0.98 -0.13 0.40 0.09 0.00 0.00 178.44 179.76 1mwn h ILE 11 N 1.17 1.27 -0.35 1.22 2.04 -0.99 -2.13 117.51 119.73 1mwn h ILE 11 Ca 0.27 -1.30 -0.16 0.00 1.00 0.00 0.00 64.86 64.66 1mwn h ILE 11 Cb 0.22 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1mwn h ILE 11 CO -0.02 0.46 -0.42 0.44 0.00 0.00 0.00 178.15 178.61 1mwn h ASP 12 N 0.91 0.96 -0.82 1.72 3.32 -0.99 -2.78 116.42 118.74 1mwn h ASP 12 Ca 0.13 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.75 1mwn h ASP 12 Cb 0.71 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1mwn h ASP 12 CO 0.05 1.25 0.54 0.58 -1.72 0.00 0.00 179.24 179.94 1mwn h VAL 13 N 0.72 1.17 -0.29 -1.35 2.07 -0.70 0.23 116.25 118.10 1mwn h VAL 13 Ca 0.05 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1mwn h VAL 13 Cb 1.01 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1mwn h VAL 13 CO 0.10 0.19 -0.07 0.15 0.02 0.00 0.00 177.57 177.96 1mwn h PHE 14 N 1.05 -0.16 0.00 1.57 3.57 -1.09 -2.10 116.94 119.78 1mwn h PHE 14 Ca 0.31 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1mwn h PHE 14 Cb -0.03 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1mwn h PHE 14 CO -0.00 -0.13 -0.45 1.25 -2.23 0.00 0.00 178.31 176.76 1mwn h HIS 15 N -0.00 0.00 -0.55 0.41 2.76 -1.34 -2.39 115.15 114.04 1mwn h HIS 15 Ca 0.14 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1mwn h HIS 15 Cb 0.21 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 1mwn h HIS 15 CO -0.28 0.45 0.37 0.37 -1.30 0.00 0.00 177.93 177.53 1mwn h GLN 16 N 0.00 0.73 0.00 5.26 4.15 0.14 -3.11 115.11 122.28 1mwn h GLN 16 Ca -0.00 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.12 1mwn h GLN 16 Cb 1.30 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 1mwn h GLN 16 CO 0.06 0.48 -2.00 2.48 -1.93 0.00 0.00 178.83 177.92 1mwn n TYR 17 N -4.70 0.00 -0.38 3.99 0.18 -1.14 -4.43 117.16 110.68 1mwn n TYR 17 Ca 0.03 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.79 1mwn n TYR 17 Cb 0.02 -0.71 0.11 0.00 -0.38 0.00 0.00 39.34 38.38 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 1.16 0.00 9.48 0.87 -1.52 0.63 113.55 124.16 1mwn h SER 18 Ca -0.38 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1mwn h SER 18 Cb 1.84 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1mwn h SER 18 CO 0.02 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1mwn n GLY 19 N -1.38 -0.94 0.11 5.77 0.00 -1.17 -3.73 105.19 103.85 1mwn n GLY 19 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.28 -3.63 1.61 2.43 -1.08 -3.46 114.38 110.54 1mwn h ARG 20 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1mwn h ARG 20 Cb 0.00 -0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 29.36 1mwn h ARG 20 CO 0.00 0.30 -0.24 -1.21 -1.51 0.00 0.00 179.97 177.31 1mwn s GLU 21 N -5.75 0.94 1.50 0.20 2.02 -1.24 -5.13 118.70 111.24 1mwn s GLU 21 Ca -0.13 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1mwn s GLU 21 Cb 0.08 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.70 1mwn s GLU 21 CO 0.70 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1mwn n GLY 22 N -0.13 -1.41 3.87 -1.39 0.00 -1.26 -4.81 105.19 100.07 1mwn n GLY 22 Ca -0.15 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.14 6.36 0.01 1.61 1.01 -1.26 -4.89 116.67 115.37 1mwn s ASP 23 Ca 0.00 1.34 0.29 0.00 0.71 0.00 0.00 52.55 54.89 1mwn s ASP 23 Cb 0.00 -2.42 1.21 0.00 1.01 0.00 0.00 42.92 42.72 1mwn s ASP 23 CO 0.00 -0.70 1.92 0.29 0.21 0.00 0.00 175.17 176.89 1mwn n LYS 24 N -2.22 0.02 0.05 8.23 5.02 -1.26 -3.47 118.16 124.53 1mwn n LYS 24 Ca 0.05 0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1mwn n LYS 24 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1mwn n LYS 24 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1mwn h HIS 25 N 0.00 0.62 -3.37 2.13 2.76 -1.93 -3.46 115.15 111.89 1mwn h HIS 25 Ca 0.00 -0.29 -0.38 0.00 -2.20 0.00 0.00 60.37 57.51 1mwn h HIS 25 Cb 0.52 -0.09 -0.16 0.00 1.55 0.00 0.00 27.41 29.23 1mwn h HIS 25 CO 0.00 1.07 -0.73 -1.59 -1.30 0.00 0.00 177.93 175.37 1mwn s LYS 26 N -3.55 1.08 -0.13 5.26 -2.85 -1.23 -4.37 119.74 113.96 1mwn s LYS 26 Ca -0.06 -1.39 0.03 0.00 -1.00 0.00 0.00 55.97 53.55 1mwn s LYS 26 Cb 0.10 -0.80 0.01 0.00 -2.06 0.00 0.00 37.83 35.07 1mwn s LYS 26 CO 0.85 0.13 -0.22 -0.51 0.10 0.00 0.00 175.35 175.70 1mwn s LEU 27 N -2.92 2.15 0.50 2.77 1.43 0.11 -4.50 118.68 118.22 1mwn s LEU 27 Ca 0.14 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.58 1mwn s LEU 27 Cb -0.01 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1mwn s LEU 27 CO 0.02 0.10 0.86 -0.75 0.23 0.00 0.00 176.35 176.81 1mwn s LYS 28 N 0.70 3.63 0.37 1.70 2.20 -1.26 0.15 119.74 127.22 1mwn s LYS 28 Ca -0.10 0.44 0.13 0.00 -0.36 0.00 0.00 55.97 56.09 1mwn s LYS 28 Cb -0.16 -2.29 0.95 0.00 -1.51 0.00 0.00 37.83 34.82 1mwn s LYS 28 CO 0.01 -0.27 1.80 1.57 -0.36 0.00 0.00 175.35 178.10 1mwn h LYS 29 N 0.34 0.53 -0.59 4.03 2.10 -1.88 0.32 116.57 121.41 1mwn h LYS 29 Ca -0.46 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.13 1mwn h LYS 29 Cb 1.20 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 32.38 1mwn h LYS 29 CO 0.62 0.35 0.26 0.66 -2.00 0.00 0.00 179.45 179.34 1mwn h SER 30 N 0.55 0.80 -0.37 7.07 4.64 -1.91 0.42 113.55 124.74 1mwn h SER 30 Ca 0.55 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.55 1mwn h SER 30 Cb 1.15 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1mwn h SER 30 CO -0.29 0.73 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.67 1mwn h GLU 31 N 0.82 0.94 -0.12 4.77 5.08 -0.84 -2.56 114.58 122.65 1mwn h GLU 31 Ca 0.20 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1mwn h GLU 31 Cb 0.17 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1mwn h GLU 31 CO -0.02 1.16 -0.39 1.25 -1.00 0.00 0.00 179.01 180.01 1mwn h LEU 32 N 0.76 0.28 -1.00 1.33 5.85 -0.56 -1.78 115.31 120.19 1mwn h LEU 32 Ca 0.05 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1mwn h LEU 32 Cb 1.01 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 1mwn h LEU 32 CO 0.10 0.66 0.66 0.50 -0.34 0.00 0.00 178.44 180.02 1mwn h LYS 33 N 0.23 1.26 -0.54 1.25 3.64 0.08 0.32 116.57 122.82 1mwn h LYS 33 Ca 0.02 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1mwn h LYS 33 Cb 0.80 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1mwn h LYS 33 CO 0.06 0.83 0.03 1.49 -2.27 0.00 0.00 179.45 179.60 1mwn h GLU 34 N 1.30 0.93 0.00 1.90 4.57 -0.99 0.34 114.58 122.64 1mwn h GLU 34 Ca 0.39 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1mwn h GLU 34 Cb -0.05 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1mwn h GLU 34 CO -0.11 0.93 -0.00 1.25 -1.18 0.00 0.00 179.01 179.90 1mwn h LEU 35 N 0.81 -0.00 -0.24 1.64 7.12 -0.16 0.54 115.31 125.02 1mwn h LEU 35 Ca 0.16 -0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.97 1mwn h LEU 35 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1mwn h LEU 35 CO 0.02 0.00 -0.62 0.40 -0.13 0.00 0.00 178.44 178.12 1mwn h ILE 36 N -0.00 1.28 0.00 4.05 2.04 -0.29 -1.17 117.51 123.41 1mwn h ILE 36 Ca -0.00 -1.80 -0.09 0.00 1.00 0.00 0.00 64.86 63.97 1mwn h ILE 36 Cb 0.00 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1mwn h ILE 36 CO 0.00 0.58 -0.43 -0.55 0.00 0.00 0.00 178.15 177.76 1mwn h ASN 37 N 0.61 0.00 0.51 1.72 -0.00 -0.20 -0.76 115.58 117.47 1mwn h ASN 37 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.00 1mwn h ASN 37 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.50 1mwn h ASN 37 CO 0.13 0.43 -1.68 -1.13 -0.00 0.00 0.00 177.43 175.18 1mwn h ASN 38 N 0.00 0.00 0.45 6.14 -0.00 0.10 -3.34 115.58 118.92 1mwn h ASN 38 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.29 1mwn h ASN 38 Cb 1.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.43 1mwn h ASN 38 CO 0.06 1.00 -1.56 -0.62 -0.00 0.00 0.00 177.43 176.31 1mwn n GLU 39 N -3.06 0.64 -2.67 6.67 4.71 -0.45 -4.35 120.64 122.13 1mwn n GLU 39 Ca -0.16 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.16 56.62 1mwn n GLU 39 Cb 1.05 -1.66 -0.01 0.00 -1.01 0.00 0.00 31.44 29.81 1mwn n GLU 39 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1mwn n LEU 40 N -2.45 5.58 0.00 -4.62 4.77 -0.29 -4.93 117.00 115.05 1mwn n LEU 40 Ca -0.02 -5.43 0.00 0.00 -0.03 0.00 0.00 56.01 50.52 1mwn n LEU 40 Cb 0.56 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1mwn n LEU 40 CO 0.43 2.20 0.00 -0.24 -1.33 0.00 0.00 177.39 178.45 1mwn n SER 41 N -0.28 0.00 -0.23 -1.43 2.88 -1.25 -4.38 113.62 108.92 1mwn n SER 41 Ca 0.39 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.98 1mwn n SER 41 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1mwn n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mwn n HIS 42 N 0.00 0.00 0.16 0.66 1.44 -1.26 -4.34 115.22 111.88 1mwn n HIS 42 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1mwn n HIS 42 Cb 0.00 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.37 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 1mwn h PHE 43 N 1.13 0.00 -1.27 -1.40 -1.00 -1.93 -3.46 116.94 109.01 1mwn h PHE 43 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mwn h PHE 43 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 1mwn h PHE 43 CO 0.00 0.50 0.00 1.28 -1.61 0.00 0.00 178.31 178.48 1mwn n LEU 44 N -3.94 0.00 -4.57 1.54 4.77 -1.26 -5.10 117.00 108.43 1mwn n LEU 44 Ca -0.01 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.51 1mwn n LEU 44 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1mwn n LEU 44 CO 0.40 0.00 0.58 1.21 -1.33 0.00 0.00 177.39 178.25 1mwn n GLU 45 N 0.00 1.21 -3.57 3.23 0.00 -1.26 -4.81 120.64 115.44 1mwn n GLU 45 Ca 0.00 0.43 -0.38 0.00 0.00 0.00 0.00 57.16 57.21 1mwn n GLU 45 Cb 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 31.44 29.52 1mwn n GLU 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1mwn s GLU 46 N -1.17 3.96 -0.29 5.31 2.56 -1.26 -4.67 118.70 123.13 1mwn s GLU 46 Ca 0.63 -0.29 -0.18 0.00 0.00 0.00 0.00 54.97 55.13 1mwn s GLU 46 Cb -0.76 -3.66 -0.02 0.00 2.00 0.00 0.00 34.13 31.70 1mwn s GLU 46 CO 0.57 -0.18 0.51 0.42 -0.56 0.00 0.00 175.26 176.02 1mwn s ILE 47 N 1.77 5.05 0.00 -3.70 -1.09 -1.26 -4.79 121.20 117.18 1mwn s ILE 47 Ca 0.08 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1mwn s ILE 47 Cb -0.16 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1mwn s ILE 47 CO 0.11 -0.02 0.00 2.29 -1.23 0.00 0.00 174.94 176.08 1mwn n LYS 48 N 5.62 1.14 -4.38 2.79 -0.00 -1.26 -4.85 118.16 117.22 1mwn n LYS 48 Ca -0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.00 1mwn n LYS 48 Cb 0.49 -0.09 -0.13 0.00 -0.00 0.00 0.00 35.03 35.30 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 -0.12 1.28 0.49 -1.58 0.41 -1.26 -5.00 118.70 112.91 1mwn s GLU 49 Ca 0.00 -1.21 0.28 0.00 -0.41 0.00 0.00 54.97 53.62 1mwn s GLU 49 Cb 0.00 -1.61 1.13 0.00 -1.78 0.00 0.00 34.13 31.87 1mwn s GLU 49 CO 0.00 0.38 1.91 -0.56 -0.49 0.00 0.00 175.26 176.50 1mwn h GLN 50 N 4.10 0.00 -0.69 1.61 3.07 -1.99 -3.07 115.11 118.13 1mwn h GLN 50 Ca -0.48 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.27 1mwn h GLN 50 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.70 1mwn h GLN 50 CO 0.40 0.14 0.46 1.05 0.09 0.00 0.00 178.83 180.97 1mwn h GLU 51 N 0.00 0.91 -0.24 0.06 4.11 -1.97 2.07 114.58 119.52 1mwn h GLU 51 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1mwn h GLU 51 Cb 0.62 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1mwn h GLU 51 CO 0.02 0.61 0.09 0.28 0.07 0.00 0.00 179.01 180.07 1mwn h VAL 52 N 0.94 1.18 -0.46 -1.06 2.07 -1.96 0.36 116.25 117.32 1mwn h VAL 52 Ca 0.25 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1mwn h VAL 52 Cb -0.11 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1mwn h VAL 52 CO -0.05 0.19 0.30 0.58 0.02 0.00 0.00 177.57 178.61 1mwn h VAL 53 N 0.23 1.12 -0.28 2.57 2.07 -1.43 1.29 116.25 121.83 1mwn h VAL 53 Ca 0.08 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1mwn h VAL 53 Cb 0.21 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1mwn h VAL 53 CO -0.00 0.11 0.14 -0.78 0.02 0.00 0.00 177.57 177.06 1mwn h ASP 54 N 0.62 0.35 -0.28 0.57 1.82 0.39 2.15 116.42 122.03 1mwn h ASP 54 Ca 0.17 -0.10 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 1mwn h ASP 54 Cb -0.07 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1mwn h ASP 54 CO -0.04 0.35 -0.36 0.50 -1.61 0.00 0.00 179.24 178.09 1mwn h LYS 55 N 0.32 0.82 -0.22 0.28 3.64 0.11 0.23 116.57 121.75 1mwn h LYS 55 Ca 0.10 -0.41 -0.16 0.00 -1.27 0.00 0.00 60.65 58.91 1mwn h LYS 55 Cb 0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1mwn h LYS 55 CO -0.01 1.05 -0.50 0.28 -2.27 0.00 0.00 179.45 177.99 1mwn h VAL 56 N 0.68 1.31 -0.34 2.00 2.07 0.21 -1.59 116.25 120.58 1mwn h VAL 56 Ca 0.06 -1.72 -0.15 0.00 0.82 0.00 0.00 66.70 65.71 1mwn h VAL 56 Cb 0.92 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1mwn h VAL 56 CO 0.08 0.54 -0.37 0.24 0.02 0.00 0.00 177.57 178.09 1mwn h MET 57 N 0.49 0.84 -0.09 1.57 2.86 0.37 -2.27 114.93 118.70 1mwn h MET 57 Ca 0.02 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.18 1mwn h MET 57 Cb 1.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1mwn h MET 57 CO 0.10 1.10 -0.05 1.49 1.06 0.00 0.00 176.91 180.61 1mwn h GLU 58 N 0.63 0.13 -0.46 1.72 4.81 -0.42 3.16 114.58 124.14 1mwn h GLU 58 Ca 0.05 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1mwn h GLU 58 Cb 0.96 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1mwn h GLU 58 CO 0.09 0.20 -0.26 1.15 -0.73 0.00 0.00 179.01 179.46 1mwn h THR 59 N 0.13 1.27 0.00 0.32 2.02 -0.76 -3.14 112.91 112.76 1mwn h THR 59 Ca 0.03 -1.43 -0.22 0.00 0.77 0.00 0.00 66.41 65.56 1mwn h THR 59 Cb 0.18 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 1mwn h THR 59 CO 0.01 0.49 -1.66 0.18 0.37 0.00 0.00 175.52 174.91 1mwn n LEU 60 N -4.10 1.71 -3.13 2.58 4.77 -0.77 -4.53 117.00 113.54 1mwn n LEU 60 Ca -0.00 0.29 -0.35 0.00 -0.03 0.00 0.00 56.01 55.92 1mwn n LEU 60 Cb 0.48 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1mwn n LEU 60 CO 0.47 0.12 2.91 -0.67 -1.33 0.00 0.00 177.39 178.89 1mwn n ASP 61 N -4.16 8.07 0.00 -1.43 2.03 1.05 -4.54 116.55 117.57 1mwn n ASP 61 Ca -0.31 -2.69 0.05 0.00 0.52 0.00 0.00 54.79 52.36 1mwn n ASP 61 Cb 0.65 -1.49 0.29 0.00 -0.72 0.00 0.00 41.12 39.86 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 2.98 0.39 0.07 -0.67 2.13 -1.18 -1.14 120.64 123.21 1mwn n GLU 62 Ca 0.70 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.43 1mwn n GLU 62 Cb 0.34 -1.40 0.04 0.00 0.27 0.00 0.00 31.44 30.70 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 0.38 0.00 4.31 3.32 -1.87 -3.46 116.42 119.11 1mwn h ASP 63 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1mwn h ASP 63 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1mwn h ASP 63 CO 0.00 0.99 0.00 0.61 -1.72 0.00 0.00 179.24 179.12 1mwn n GLY 64 N 0.56 0.56 0.00 2.75 0.00 -0.29 -4.85 105.19 103.91 1mwn n GLY 64 Ca -0.04 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 0.01 0.00 -1.83 1.61 5.75 -1.26 -4.84 116.55 115.99 1mwn n ASP 65 Ca 0.00 -1.12 -0.16 0.00 -0.01 0.00 0.00 54.79 53.50 1mwn n ASP 65 Cb 0.00 0.00 -0.01 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 0.90 -0.28 3.09 6.12 0.00 -1.26 -4.98 105.19 108.77 1mwn n GLY 66 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.79 0.52 -0.09 1.61 2.02 -1.26 -2.76 118.70 113.94 1mwn s GLU 67 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1mwn s GLU 67 Cb 0.00 0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.45 1mwn s GLU 67 CO 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 175.26 175.08 1mwn s ASP 69 N 1.42 5.33 0.29 0.00 1.01 -1.26 -0.71 116.67 122.75 1mwn s ASP 69 Ca -0.01 1.00 0.04 0.00 0.71 0.00 0.00 52.55 54.29 1mwn s ASP 69 Cb -0.13 -1.78 0.66 0.00 1.01 0.00 0.00 42.92 42.68 1mwn s ASP 69 CO -0.05 -1.38 1.80 2.19 0.21 0.00 0.00 175.17 177.95 1mwn h PHE 70 N -0.63 1.11 -0.81 4.23 -0.00 -1.92 0.26 116.94 119.18 1mwn h PHE 70 Ca -0.45 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.53 1mwn h PHE 70 Cb 1.27 -0.34 -0.04 0.00 -0.00 0.00 0.00 35.95 36.84 1mwn h PHE 70 CO 0.47 0.33 0.40 1.96 -0.00 0.00 0.00 178.31 181.46 1mwn h GLN 71 N 0.86 1.16 -0.36 6.09 4.20 -1.96 0.40 115.11 125.51 1mwn h GLN 71 Ca 0.55 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.93 1mwn h GLN 71 Cb 0.73 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 1mwn h GLN 71 CO -0.33 0.89 -0.41 0.93 -0.67 0.00 0.00 178.83 179.23 1mwn h GLU 72 N 1.14 0.91 -0.63 1.46 5.08 -0.96 -1.61 114.58 119.96 1mwn h GLU 72 Ca 0.28 -0.50 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 1mwn h GLU 72 Cb 0.10 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1mwn h GLU 72 CO -0.04 1.15 0.03 0.35 -1.00 0.00 0.00 179.01 179.50 1mwn h PHE 73 N 0.71 1.19 -0.26 4.33 3.57 -0.44 -1.38 116.94 124.67 1mwn h PHE 73 Ca 0.05 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1mwn h PHE 73 Cb 1.01 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1mwn h PHE 73 CO 0.07 1.03 0.16 1.98 -2.23 0.00 0.00 178.31 179.32 1mwn h MET 74 N 1.01 0.35 0.00 1.11 4.05 -0.00 -0.31 114.93 121.13 1mwn h MET 74 Ca 0.18 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.49 1mwn h MET 74 Cb 0.53 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1mwn h MET 74 CO 0.03 0.24 -0.44 0.00 0.23 0.00 0.00 176.91 176.97 1mwn h ALA 75 N 1.82 1.16 -0.94 0.39 0.00 -0.25 -2.88 119.26 118.55 1mwn h ALA 75 Ca 0.10 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1mwn h ALA 75 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1mwn h ALA 75 CO -0.02 0.55 0.62 0.35 0.00 0.00 0.00 179.25 180.75 1mwn h PHE 76 N 0.00 1.18 -0.02 0.00 3.57 -0.61 0.76 116.94 121.83 1mwn h PHE 76 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1mwn h PHE 76 Cb 0.84 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1mwn h PHE 76 CO 0.00 0.74 0.01 0.28 -2.23 0.00 0.00 178.31 177.11 1mwn h VAL 77 N 1.27 1.09 -0.62 1.41 2.07 -1.49 -0.75 116.25 119.22 1mwn h VAL 77 Ca 0.35 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1mwn h VAL 77 Cb -0.14 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1mwn h VAL 77 CO -0.08 0.07 0.22 0.77 0.02 0.00 0.00 177.57 178.57 1mwn h SER 78 N -0.08 0.89 -0.46 0.57 4.64 -1.30 0.84 113.55 118.65 1mwn h SER 78 Ca 0.01 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1mwn h SER 78 Cb 0.11 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1mwn h SER 78 CO -0.00 0.84 0.27 -0.03 -0.87 0.00 0.00 176.83 177.04 1mwn h MET 79 N 0.88 0.62 0.00 4.77 -1.53 0.75 -1.62 114.93 118.81 1mwn h MET 79 Ca 0.20 -0.06 -0.19 0.00 -3.44 0.00 0.00 59.70 56.22 1mwn h MET 79 Cb 0.25 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 1mwn h MET 79 CO -0.01 0.46 -0.89 0.28 0.14 0.00 0.00 176.91 176.90 1mwn h VAL 80 N 0.61 1.52 -0.97 -5.77 2.07 -0.90 -3.12 116.25 109.67 1mwn h VAL 80 Ca 0.16 -3.14 0.00 0.00 0.82 0.00 0.00 66.70 64.54 1mwn h VAL 80 Cb 0.00 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1mwn h VAL 80 CO -0.03 0.86 0.62 0.74 0.02 0.00 0.00 177.57 179.78 1mwn h THR 81 N 0.00 1.26 -0.55 2.57 2.02 0.11 -2.12 112.91 116.21 1mwn h THR 81 Ca -0.01 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 1mwn h THR 81 Cb 1.68 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1mwn h THR 81 CO 0.11 0.26 -0.12 0.71 0.37 0.00 0.00 175.52 176.86 1mwn h THR 82 N 1.33 1.27 -0.79 3.16 1.35 -1.32 -2.76 112.91 115.14 1mwn h THR 82 Ca 0.35 -1.28 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1mwn h THR 82 Cb -0.10 0.96 -0.04 0.00 -1.73 0.00 0.00 68.15 67.24 1mwn h THR 82 CO -0.07 0.45 0.53 0.00 -0.25 0.00 0.00 175.52 176.18 1mwn h ALA 83 N 0.93 1.01 -0.91 6.62 0.00 -1.34 -1.77 119.26 123.78 1mwn h ALA 83 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1mwn h ALA 83 Cb 0.69 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1mwn h ALA 83 CO 0.05 0.42 0.51 0.00 0.00 0.00 0.00 179.25 180.23 1mwn h HIS 85 N 1.28 1.26 -1.00 0.00 6.17 -1.06 -2.26 115.15 119.54 1mwn h HIS 85 Ca 0.32 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.44 1mwn h HIS 85 Cb 0.01 -0.43 -0.05 0.00 2.52 0.00 0.00 27.41 29.47 1mwn h HIS 85 CO 0.01 0.79 0.66 0.93 0.71 0.00 0.00 177.93 181.03 1mwn h GLU 86 N 1.35 1.32 -5.46 5.26 4.39 -0.78 -3.39 114.58 117.28 1mwn h GLU 86 Ca 0.37 -0.08 -0.43 0.00 0.34 0.00 0.00 59.36 59.56 1mwn h GLU 86 Cb -0.15 -0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 28.19 1mwn h GLU 86 CO -0.08 0.88 1.53 0.34 -1.16 0.00 0.00 179.01 180.52 1mwn n PHE 87 N -4.38 1.22 -0.03 4.33 -0.00 -0.85 -4.63 117.46 113.12 1mwn n PHE 87 Ca 0.12 0.15 -0.04 0.00 -0.00 0.00 0.00 57.45 57.68 1mwn n PHE 87 Cb 0.02 -2.54 -0.03 0.00 -0.00 0.00 0.00 39.48 36.93 1mwn n PHE 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1mwn n PHE 88 N 15.00 0.00 -3.91 -5.13 3.72 -1.26 -4.99 117.46 120.89 1mwn n PHE 88 Ca 0.44 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.48 1mwn n PHE 88 Cb 0.43 -0.23 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 1mwn n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1mwn s GLU 89 N -2.12 3.72 0.25 -1.08 2.12 -1.26 -4.98 118.70 115.35 1mwn s GLU 89 Ca -0.08 -0.46 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 1mwn s GLU 89 Cb 0.02 -3.23 0.26 0.00 0.26 0.00 0.00 34.13 31.44 1mwn s GLU 89 CO 0.14 -0.03 1.93 0.45 -0.54 0.00 0.00 175.26 177.20 1mwn h HIS 90 N 7.68 1.26 -0.03 5.30 3.86 -2.00 -3.55 115.15 127.67 1mwn h HIS 90 Ca -0.37 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1mwn h HIS 90 Cb 1.18 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1mwn h HIS 90 CO 0.63 0.80 0.00 0.39 0.86 0.00 0.00 177.93 180.61