#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 0.93 0.00 -1.46 4.81 -2.06 -2.95 114.58 113.85 1mwn h GLU 2 Ca 0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1mwn h GLU 2 Cb 0.00 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1mwn h GLU 2 CO 0.00 1.16 -0.11 1.25 -0.73 0.00 0.00 179.01 180.58 1mwn h LEU 3 N 0.75 0.00 0.01 1.64 6.46 -2.05 -2.74 115.31 119.38 1mwn h LEU 3 Ca 0.05 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1mwn h LEU 3 Cb 1.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1mwn h LEU 3 CO 0.10 0.11 -0.01 -0.08 -0.62 0.00 0.00 178.44 177.94 1mwn h GLU 4 N 0.00 -0.01 -0.07 1.25 4.81 -1.96 0.17 114.58 118.76 1mwn h GLU 4 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 1mwn h GLU 4 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1mwn h GLU 4 CO 0.01 -0.01 -0.81 1.57 -0.73 0.00 0.00 179.01 179.05 1mwn h LYS 5 N -0.02 0.47 -0.86 1.92 5.09 -1.66 -3.11 116.57 118.40 1mwn h LYS 5 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 60.65 60.32 1mwn h LYS 5 Cb 0.01 0.10 -0.04 0.00 0.10 0.00 0.00 32.23 32.40 1mwn h LYS 5 CO 0.00 1.06 0.55 0.00 -2.09 0.00 0.00 179.45 178.98 1mwn h ALA 6 N 0.81 1.09 -0.98 0.07 0.00 -1.24 -2.00 119.26 117.00 1mwn h ALA 6 Ca -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mwn h ALA 6 Cb 1.41 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1mwn h ALA 6 CO 0.14 0.52 0.65 1.98 0.00 0.00 0.00 179.25 182.54 1mwn h MET 7 N 1.17 1.30 -0.99 0.00 1.85 -0.63 -1.07 114.93 116.56 1mwn h MET 7 Ca 0.31 -0.08 0.01 0.00 -0.61 0.00 0.00 59.70 59.33 1mwn h MET 7 Cb -0.11 -0.29 -0.05 0.00 0.43 0.00 0.00 31.60 31.58 1mwn h MET 7 CO -0.06 0.86 0.66 0.28 -0.40 0.00 0.00 176.91 178.24 1mwn h VAL 8 N 1.34 1.25 -0.25 -5.77 2.07 -1.32 -1.35 116.25 112.22 1mwn h VAL 8 Ca 0.36 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1mwn h VAL 8 Cb -0.15 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.40 1mwn h VAL 8 CO -0.08 0.24 0.17 0.00 0.02 0.00 0.00 177.57 177.92 1mwn h ALA 9 N 1.36 0.32 -0.78 1.67 0.00 -0.70 -0.45 119.26 120.67 1mwn h ALA 9 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1mwn h ALA 9 Cb -0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1mwn h ALA 9 CO -0.08 -0.21 0.51 -0.07 0.00 0.00 0.00 179.25 179.40 1mwn h LEU 10 N 0.34 0.91 -0.51 0.00 4.07 -0.61 0.39 115.31 119.89 1mwn h LEU 10 Ca 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1mwn h LEU 10 Cb -0.04 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 1mwn h LEU 10 CO -0.02 0.67 0.24 0.40 -1.08 0.00 0.00 178.44 178.65 1mwn h ILE 11 N 1.06 1.20 -0.37 1.22 2.04 -0.77 -1.21 117.51 120.68 1mwn h ILE 11 Ca 0.29 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.42 1mwn h ILE 11 Cb -0.10 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1mwn h ILE 11 CO -0.06 0.22 -0.41 0.44 0.00 0.00 0.00 178.15 178.34 1mwn h ASP 12 N 0.68 1.01 -0.36 1.72 3.32 -0.57 -2.73 116.42 119.49 1mwn h ASP 12 Ca 0.18 -0.48 0.03 0.00 0.02 0.00 0.00 57.03 56.78 1mwn h ASP 12 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1mwn h ASP 12 CO -0.02 1.28 0.24 0.58 -1.72 0.00 0.00 179.24 179.60 1mwn h VAL 13 N 0.75 1.02 -0.03 -1.35 2.07 0.03 -0.28 116.25 118.46 1mwn h VAL 13 Ca 0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1mwn h VAL 13 Cb 1.01 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1mwn h VAL 13 CO 0.10 0.07 0.02 0.15 0.02 0.00 0.00 177.57 177.92 1mwn h PHE 14 N 0.36 0.03 -0.19 1.57 3.57 -0.90 -2.96 116.94 118.42 1mwn h PHE 14 Ca 0.15 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1mwn h PHE 14 Cb 0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1mwn h PHE 14 CO -0.00 0.02 -0.47 0.45 -2.23 0.00 0.00 178.31 176.09 1mwn h HIS 15 N 0.03 0.59 -0.21 0.41 3.86 -1.22 -1.69 115.15 116.92 1mwn h HIS 15 Ca 0.01 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1mwn h HIS 15 Cb -0.00 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1mwn h HIS 15 CO -0.08 0.87 0.14 1.96 0.86 0.00 0.00 177.93 181.68 1mwn h GLN 16 N 0.39 0.27 0.06 2.45 4.20 -0.93 -1.67 115.11 119.89 1mwn h GLN 16 Ca 0.02 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.37 1mwn h GLN 16 Cb 0.97 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1mwn h GLN 16 CO 0.09 0.18 -2.00 0.66 -0.67 0.00 0.00 178.83 177.09 1mwn n TYR 17 N -4.94 0.93 -0.28 2.96 4.01 -1.18 -3.23 117.16 115.41 1mwn n TYR 17 Ca -0.03 0.24 -0.06 0.00 -0.16 0.00 0.00 57.90 57.89 1mwn n TYR 17 Cb 0.03 -1.14 0.06 0.00 -0.31 0.00 0.00 39.34 37.98 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1mwn h SER 18 N 0.03 1.10 0.15 7.72 4.64 -1.37 -2.16 113.55 123.67 1mwn h SER 18 Ca -0.41 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1mwn h SER 18 Cb 2.03 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1mwn h SER 18 CO 0.06 0.99 -0.10 0.61 -0.87 0.00 0.00 176.83 177.53 1mwn n GLY 19 N -0.82 -0.53 0.30 -0.77 0.00 -0.63 -3.53 105.19 99.22 1mwn n GLY 19 Ca 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 1.30 1.07 -2.76 1.61 2.43 -1.36 -3.45 114.38 113.22 1mwn h ARG 20 Ca 0.00 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 1mwn h ARG 20 Cb 0.41 -0.09 -0.20 0.00 -0.42 0.00 0.00 29.97 29.66 1mwn h ARG 20 CO 0.00 1.06 -0.16 -2.00 -1.51 0.00 0.00 179.97 177.36 1mwn s GLU 21 N -5.00 0.75 2.55 0.20 2.12 -1.25 -5.11 118.70 112.96 1mwn s GLU 21 Ca -0.12 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1mwn s GLU 21 Cb 0.13 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1mwn s GLU 21 CO 0.86 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.78 1mwn n GLY 22 N 1.29 -0.24 3.76 -1.50 0.00 -1.26 -4.75 105.19 102.50 1mwn n GLY 22 Ca -0.20 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 7.50 0.03 1.61 1.01 -1.26 -4.86 116.67 116.71 1mwn s ASP 23 Ca 0.00 1.87 0.29 0.00 0.71 0.00 0.00 52.55 55.41 1mwn s ASP 23 Cb 0.00 -2.58 1.17 0.00 1.01 0.00 0.00 42.92 42.52 1mwn s ASP 23 CO 0.00 0.08 1.91 2.29 0.21 0.00 0.00 175.17 179.66 1mwn n LYS 24 N 1.16 0.04 0.03 8.23 2.85 -1.23 -3.61 118.16 125.63 1mwn n LYS 24 Ca -0.01 0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 1mwn n LYS 24 Cb 0.48 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.31 1mwn n LYS 24 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1mwn h HIS 25 N 0.00 0.74 -3.35 5.58 2.76 -1.92 -3.43 115.15 115.53 1mwn h HIS 25 Ca 0.00 -0.33 -0.39 0.00 -2.20 0.00 0.00 60.37 57.45 1mwn h HIS 25 Cb 0.54 -0.11 -0.16 0.00 1.55 0.00 0.00 27.41 29.22 1mwn h HIS 25 CO 0.00 1.11 -0.74 0.15 -1.30 0.00 0.00 177.93 177.16 1mwn s LYS 26 N -3.66 1.10 -0.13 5.26 1.02 -1.24 -4.54 119.74 117.55 1mwn s LYS 26 Ca -0.07 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.44 1mwn s LYS 26 Cb 0.10 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1mwn s LYS 26 CO 0.86 0.14 0.13 -0.51 -0.92 0.00 0.00 175.35 175.06 1mwn s LEU 27 N -2.92 4.33 0.11 3.17 1.43 0.51 -4.63 118.68 120.69 1mwn s LEU 27 Ca 0.15 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1mwn s LEU 27 Cb -0.01 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1mwn s LEU 27 CO 0.03 0.36 0.05 -0.75 0.23 0.00 0.00 176.35 176.27 1mwn s LYS 28 N -0.76 2.69 0.33 1.70 2.20 -1.26 0.11 119.74 124.74 1mwn s LYS 28 Ca 0.14 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1mwn s LYS 28 Cb -0.12 -2.59 0.95 0.00 -1.51 0.00 0.00 37.83 34.56 1mwn s LYS 28 CO 0.03 0.53 1.56 0.36 -0.36 0.00 0.00 175.35 177.46 1mwn n LYS 29 N 0.29 -0.07 -0.32 4.03 2.85 -1.21 0.13 118.16 123.86 1mwn n LYS 29 Ca -0.10 1.45 -0.04 0.00 -1.05 0.00 0.00 58.31 58.57 1mwn n LYS 29 Cb 0.53 -2.39 0.08 0.00 -0.65 0.00 0.00 35.03 32.59 1mwn n LYS 29 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1mwn h SER 30 N 0.00 1.09 -0.37 -5.58 0.02 -1.94 -0.05 113.55 106.72 1mwn h SER 30 Ca 0.68 -0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 61.36 1mwn h SER 30 Cb 1.56 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1mwn h SER 30 CO -0.88 0.89 -0.41 -0.33 -1.14 0.00 0.00 176.83 174.95 1mwn h GLU 31 N 1.21 0.94 -0.86 3.45 5.08 0.71 -2.97 114.58 122.14 1mwn h GLU 31 Ca 0.30 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1mwn h GLU 31 Cb 0.05 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1mwn h GLU 31 CO -0.05 1.17 0.41 1.25 -1.00 0.00 0.00 179.01 180.79 1mwn h LEU 32 N 0.76 1.12 -1.01 1.33 5.85 -0.49 -1.94 115.31 120.92 1mwn h LEU 32 Ca 0.05 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.75 1mwn h LEU 32 Cb 1.01 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1mwn h LEU 32 CO 0.10 0.94 0.64 0.50 -0.34 0.00 0.00 178.44 180.28 1mwn h LYS 33 N 1.22 1.00 -0.49 1.25 3.64 -0.86 0.75 116.57 123.08 1mwn h LYS 33 Ca 0.29 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 1mwn h LYS 33 Cb 0.11 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1mwn h LYS 33 CO -0.04 0.66 -0.21 1.49 -2.27 0.00 0.00 179.45 179.08 1mwn h GLU 34 N 1.03 1.01 -0.00 1.90 4.57 -1.30 -1.20 114.58 120.60 1mwn h GLU 34 Ca 0.49 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1mwn h GLU 34 Cb 0.43 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1mwn h GLU 34 CO -0.25 1.11 0.00 1.25 -1.18 0.00 0.00 179.01 179.95 1mwn h LEU 35 N 0.87 0.00 -0.45 1.64 5.85 -0.26 0.99 115.31 123.95 1mwn h LEU 35 Ca 0.11 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1mwn h LEU 35 Cb 0.80 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1mwn h LEU 35 CO 0.07 0.00 -0.28 0.40 -0.34 0.00 0.00 178.44 178.29 1mwn h ILE 36 N 0.00 1.27 0.00 4.05 2.04 -0.95 -1.47 117.51 122.45 1mwn h ILE 36 Ca 0.00 -1.45 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 1mwn h ILE 36 Cb 0.00 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1mwn h ILE 36 CO -0.00 0.50 -0.63 -1.13 0.00 0.00 0.00 178.15 176.89 1mwn h ASN 37 N 0.83 0.00 0.57 1.72 -1.24 -1.05 -2.24 115.58 114.16 1mwn h ASN 37 Ca 0.09 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.84 1mwn h ASN 37 Cb 0.87 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.88 1mwn h ASN 37 CO 0.08 0.55 -1.60 -1.13 -1.29 0.00 0.00 177.43 174.04 1mwn h ASN 38 N 0.00 0.00 0.00 1.15 -0.00 0.11 -3.26 115.58 113.58 1mwn h ASN 38 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 1mwn h ASN 38 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.76 1mwn h ASN 38 CO 0.07 0.92 -1.57 -0.62 -0.00 0.00 0.00 177.43 176.23 1mwn n GLU 39 N -3.04 0.55 -2.73 6.67 -0.58 -0.56 -4.77 120.64 116.18 1mwn n GLU 39 Ca -0.14 -0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.40 1mwn n GLU 39 Cb 1.01 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 30.48 1mwn n GLU 39 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1mwn n LEU 40 N -1.94 -2.44 -0.00 -4.62 -0.00 -0.85 -4.96 117.00 102.19 1mwn n LEU 40 Ca -0.01 -3.33 -0.00 0.00 -0.00 0.00 0.00 56.01 52.66 1mwn n LEU 40 Cb 0.45 0.89 -0.00 0.00 -0.00 0.00 0.00 43.42 44.76 1mwn n LEU 40 CO 0.42 1.99 0.00 0.77 -0.00 0.00 0.00 177.39 180.58 1mwn h SER 41 N 3.34 -0.00 0.41 1.45 4.64 -1.58 -3.32 113.55 118.48 1mwn h SER 41 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1mwn h SER 41 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1mwn h SER 41 CO 0.18 0.05 -0.53 0.00 -0.87 0.00 0.00 176.83 175.66 1mwn n HIS 42 N -2.29 0.00 -0.13 4.77 1.44 -1.26 -1.57 115.22 116.17 1mwn n HIS 42 Ca -0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1mwn n HIS 42 Cb 0.00 -0.20 -0.01 0.00 0.12 0.00 0.00 29.99 29.90 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 0.15 1.13 0.00 -1.40 0.04 -1.93 -3.45 116.94 111.48 1mwn h PHE 43 Ca 0.00 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1mwn h PHE 43 Cb 0.50 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1mwn h PHE 43 CO 0.00 1.15 0.00 1.28 -0.60 0.00 0.00 178.31 180.14 1mwn n LEU 44 N -4.07 0.00 -4.77 1.54 4.77 -1.25 -5.09 117.00 108.12 1mwn n LEU 44 Ca -0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1mwn n LEU 44 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1mwn n LEU 44 CO 0.48 0.00 -0.14 -0.70 -1.33 0.00 0.00 177.39 175.70 1mwn s GLU 45 N 0.89 3.99 -0.24 3.23 2.56 -1.24 -4.98 118.70 122.90 1mwn s GLU 45 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 54.97 54.68 1mwn s GLU 45 Cb 0.00 -3.35 -0.03 0.00 2.00 0.00 0.00 34.13 32.75 1mwn s GLU 45 CO 0.00 0.44 0.49 -2.00 -0.56 0.00 0.00 175.26 173.63 1mwn s GLU 46 N -0.06 4.10 -0.37 4.30 2.12 -0.61 -4.22 118.70 123.97 1mwn s GLU 46 Ca 0.12 0.31 -0.16 0.00 0.36 0.00 0.00 54.97 55.60 1mwn s GLU 46 Cb -0.12 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 1mwn s GLU 46 CO 0.01 -0.27 0.40 0.42 -0.54 0.00 0.00 175.26 175.28 1mwn s ILE 47 N 2.04 5.13 0.00 -3.70 -1.09 -1.26 -4.80 121.20 117.51 1mwn s ILE 47 Ca 0.21 -0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1mwn s ILE 47 Cb -0.15 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1mwn s ILE 47 CO 0.09 -0.21 0.03 2.29 -1.23 0.00 0.00 174.94 175.91 1mwn n LYS 48 N 5.48 3.01 -4.36 2.79 -0.00 -1.26 -4.92 118.16 118.90 1mwn n LYS 48 Ca -0.08 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 57.94 1mwn n LYS 48 Cb 0.49 -0.31 -0.12 0.00 -0.00 0.00 0.00 35.03 35.09 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 -0.44 1.34 0.46 -1.58 0.41 -1.26 -5.01 118.70 112.62 1mwn s GLU 49 Ca 0.00 -1.36 0.26 0.00 -0.41 0.00 0.00 54.97 53.46 1mwn s GLU 49 Cb 0.00 -1.66 0.72 0.00 -1.78 0.00 0.00 34.13 31.41 1mwn s GLU 49 CO 0.00 0.37 1.74 -0.56 -0.49 0.00 0.00 175.26 176.33 1mwn h GLN 50 N 3.63 0.00 -0.72 1.61 3.07 -1.99 -3.20 115.11 117.52 1mwn h GLN 50 Ca -0.47 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.28 1mwn h GLN 50 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.71 1mwn h GLN 50 CO 0.44 0.08 0.47 1.05 0.09 0.00 0.00 178.83 180.96 1mwn h GLU 51 N 0.00 0.95 -0.00 0.06 4.11 -1.97 1.66 114.58 119.39 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 0.85 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1mwn h GLU 51 CO 0.01 0.63 0.00 0.28 0.07 0.00 0.00 179.01 180.00 1mwn h VAL 52 N 0.97 1.10 -0.90 -1.06 2.07 -1.98 0.32 116.25 116.78 1mwn h VAL 52 Ca 0.26 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1mwn h VAL 52 Cb -0.11 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1mwn h VAL 52 CO -0.06 0.08 0.55 0.58 0.02 0.00 0.00 177.57 178.74 1mwn h VAL 53 N -0.12 1.24 -0.38 2.57 2.07 -1.50 1.57 116.25 121.70 1mwn h VAL 53 Ca 0.00 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1mwn h VAL 53 Cb 0.13 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1mwn h VAL 53 CO -0.00 0.25 -0.12 0.44 0.02 0.00 0.00 177.57 178.16 1mwn h ASP 54 N 1.23 0.76 -0.34 0.57 3.32 0.29 2.34 116.42 124.59 1mwn h ASP 54 Ca 0.32 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 1mwn h ASP 54 Cb -0.07 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1mwn h ASP 54 CO -0.06 0.97 -0.47 0.11 -1.72 0.00 0.00 179.24 178.06 1mwn h LYS 55 N 0.55 0.92 -0.03 3.56 1.57 0.15 0.14 116.57 123.43 1mwn h LYS 55 Ca 0.09 -0.53 -0.21 0.00 -1.87 0.00 0.00 60.65 58.13 1mwn h LYS 55 Cb 0.65 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1mwn h LYS 55 CO 0.04 1.18 -0.85 0.28 -0.57 0.00 0.00 179.45 179.54 1mwn h VAL 56 N 0.72 1.40 -0.15 0.50 2.07 0.24 -2.30 116.25 118.72 1mwn h VAL 56 Ca 0.04 -2.33 -0.13 0.00 0.82 0.00 0.00 66.70 65.10 1mwn h VAL 56 Cb 1.08 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1mwn h VAL 56 CO 0.11 0.70 -0.39 -0.03 0.02 0.00 0.00 177.57 177.98 1mwn h MET 57 N 0.25 0.54 -0.10 1.57 1.85 0.40 -2.67 114.93 116.76 1mwn h MET 57 Ca -0.06 -0.37 -0.00 0.00 -0.61 0.00 0.00 59.70 58.66 1mwn h MET 57 Cb 1.46 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.54 1mwn h MET 57 CO 0.15 0.99 0.06 1.49 -0.40 0.00 0.00 176.91 179.20 1mwn h GLU 58 N 0.17 0.13 -0.25 0.39 4.81 -0.74 3.13 114.58 122.22 1mwn h GLU 58 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1mwn h GLU 58 Cb 1.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1mwn h GLU 58 CO 0.09 0.09 -0.11 1.15 -0.73 0.00 0.00 179.01 179.50 1mwn h THR 59 N 0.14 1.21 0.00 0.32 2.02 -1.07 -3.17 112.91 112.36 1mwn h THR 59 Ca 0.04 -0.92 -0.31 0.00 0.77 0.00 0.00 66.41 65.99 1mwn h THR 59 Cb -0.01 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 1mwn h THR 59 CO -0.01 0.30 -2.17 0.18 0.37 0.00 0.00 175.52 174.19 1mwn n LEU 60 N -4.23 1.97 -2.60 2.58 7.99 -0.32 -4.48 117.00 117.92 1mwn n LEU 60 Ca 0.00 -0.07 -0.25 0.00 -0.01 0.00 0.00 56.01 55.68 1mwn n LEU 60 Cb 0.30 -0.35 -0.10 0.00 -0.11 0.00 0.00 43.42 43.16 1mwn n LEU 60 CO 0.39 0.70 2.27 -0.67 -1.51 0.00 0.00 177.39 178.57 1mwn n ASP 61 N -2.94 6.76 0.00 -1.43 -0.08 1.03 -4.49 116.55 115.39 1mwn n ASP 61 Ca -0.34 -2.64 0.04 0.00 -1.51 0.00 0.00 54.79 50.34 1mwn n ASP 61 Cb 0.94 -1.44 0.21 0.00 2.34 0.00 0.00 41.12 43.18 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 2.62 0.16 0.06 -0.67 2.13 -1.20 -0.19 120.64 123.55 1mwn n GLU 62 Ca 0.57 0.14 -0.13 0.00 0.66 0.00 0.00 57.16 58.40 1mwn n GLU 62 Cb 0.60 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 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 0.55 0.00 4.31 3.32 -1.88 -3.46 116.42 119.26 1mwn h ASP 63 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1mwn h ASP 63 Cb 0.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1mwn h ASP 63 CO 0.00 1.22 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 1mwn n GLY 64 N 0.91 0.59 0.13 2.75 0.00 0.73 -4.87 105.19 105.42 1mwn n GLY 64 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1mwn n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mwn n ASP 65 N 0.00 0.39 -1.15 1.61 5.75 -1.26 -4.86 116.55 117.02 1mwn n ASP 65 Ca 0.00 -1.23 -0.10 0.00 -0.01 0.00 0.00 54.79 53.45 1mwn n ASP 65 Cb 0.00 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.00 0.07 3.17 6.12 0.00 -1.26 -5.00 105.19 109.28 1mwn n GLY 66 Ca 0.20 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.35 0.75 -0.11 1.61 2.02 -1.26 -3.31 118.70 114.06 1mwn s GLU 67 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.06 1mwn s GLU 67 Cb 0.00 0.30 0.03 0.00 0.10 0.00 0.00 34.13 34.55 1mwn s GLU 67 CO 0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 175.26 175.00 1mwn s ASP 69 N 1.76 4.50 0.27 0.00 1.01 -1.26 -0.36 116.67 122.58 1mwn s ASP 69 Ca 0.05 0.78 -0.02 0.00 0.71 0.00 0.00 52.55 54.07 1mwn s ASP 69 Cb -0.12 -1.27 0.45 0.00 1.01 0.00 0.00 42.92 42.99 1mwn s ASP 69 CO -0.08 -1.91 1.85 2.19 0.21 0.00 0.00 175.17 177.43 1mwn h PHE 70 N -1.06 1.09 -0.72 4.23 -5.15 -1.98 0.33 116.94 113.68 1mwn h PHE 70 Ca -0.46 0.03 0.01 0.00 -0.20 0.00 0.00 57.97 57.35 1mwn h PHE 70 Cb 1.33 -0.35 -0.04 0.00 0.22 0.00 0.00 35.95 37.11 1mwn h PHE 70 CO 0.31 0.50 0.48 0.37 -2.00 0.00 0.00 178.31 177.96 1mwn h GLN 71 N 1.02 0.95 -0.60 6.09 4.15 -1.98 -1.42 115.11 123.31 1mwn h GLN 71 Ca 0.44 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.71 1mwn h GLN 71 Cb 0.32 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1mwn h GLN 71 CO -0.22 0.63 -0.02 0.93 -1.93 0.00 0.00 178.83 178.21 1mwn h GLU 72 N 0.98 1.07 -0.74 1.69 5.08 -1.19 -2.71 114.58 118.76 1mwn h GLU 72 Ca 0.26 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1mwn h GLU 72 Cb -0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1mwn h GLU 72 CO -0.06 1.06 0.49 0.35 -1.00 0.00 0.00 179.01 179.85 1mwn h PHE 73 N 0.97 0.93 -0.95 4.33 3.57 0.20 -1.75 116.94 124.24 1mwn h PHE 73 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1mwn h PHE 73 Cb 0.59 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1mwn h PHE 73 CO 0.04 0.58 0.63 0.52 -2.23 0.00 0.00 178.31 177.85 1mwn h MET 74 N 1.00 1.25 0.00 1.11 2.86 -0.95 -1.38 114.93 118.82 1mwn h MET 74 Ca 0.27 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1mwn h MET 74 Cb -0.11 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.26 1mwn h MET 74 CO -0.06 0.83 -0.29 0.00 1.06 0.00 0.00 176.91 178.45 1mwn h ALA 75 N 1.41 1.43 -0.87 6.32 0.00 -1.26 -2.52 119.26 123.77 1mwn h ALA 75 Ca 0.35 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwn h ALA 75 Cb -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1mwn h ALA 75 CO -0.08 0.37 0.57 0.35 0.00 0.00 0.00 179.25 180.46 1mwn h PHE 76 N 0.00 1.09 -0.59 0.00 3.04 -1.03 0.15 116.94 119.60 1mwn h PHE 76 Ca -0.00 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 1mwn h PHE 76 Cb 0.55 -0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1mwn h PHE 76 CO 0.00 0.69 0.07 0.28 -2.02 0.00 0.00 178.31 177.33 1mwn h VAL 77 N 1.17 1.26 -0.45 1.41 2.07 -1.41 -2.29 116.25 118.02 1mwn h VAL 77 Ca 0.32 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1mwn h VAL 77 Cb -0.13 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1mwn h VAL 77 CO -0.07 0.38 0.29 0.28 0.02 0.00 0.00 177.57 178.47 1mwn h SER 78 N 0.89 0.51 -0.35 0.57 0.02 -1.03 2.32 113.55 116.47 1mwn h SER 78 Ca 0.17 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1mwn h SER 78 Cb 0.46 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1mwn h SER 78 CO 0.02 0.37 0.21 0.24 -1.14 0.00 0.00 176.83 176.52 1mwn h MET 79 N 0.60 0.49 0.01 3.45 2.86 -0.78 0.38 114.93 121.94 1mwn h MET 79 Ca 0.16 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.53 1mwn h MET 79 Cb -0.06 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 1mwn h MET 79 CO -0.04 0.38 -1.12 0.28 1.06 0.00 0.00 176.91 177.47 1mwn h VAL 80 N 0.46 1.58 -0.37 -2.22 2.07 -1.11 -2.45 116.25 114.21 1mwn h VAL 80 Ca 0.13 -3.30 -0.17 0.00 0.82 0.00 0.00 66.70 64.18 1mwn h VAL 80 Cb 0.03 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1mwn h VAL 80 CO -0.02 0.91 -0.42 0.74 0.02 0.00 0.00 177.57 178.80 1mwn h THR 81 N 0.01 1.27 -0.34 2.57 2.02 0.41 -1.81 112.91 117.04 1mwn h THR 81 Ca -0.06 -1.59 -0.17 0.00 0.77 0.00 0.00 66.41 65.36 1mwn h THR 81 Cb 1.82 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1mwn h THR 81 CO 0.13 0.53 -0.46 0.74 0.37 0.00 0.00 175.52 176.83 1mwn h THR 82 N 0.75 1.27 -0.55 3.16 2.02 -0.29 -2.29 112.91 116.98 1mwn h THR 82 Ca 0.05 -1.64 -0.11 0.00 0.77 0.00 0.00 66.41 65.48 1mwn h THR 82 Cb 1.02 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1mwn h THR 82 CO 0.10 0.54 -0.10 0.00 0.37 0.00 0.00 175.52 176.43 1mwn h ALA 83 N 0.73 0.76 -0.65 6.16 0.00 -1.39 -2.46 119.26 122.41 1mwn h ALA 83 Ca 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1mwn h ALA 83 Cb 1.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1mwn h ALA 83 CO 0.11 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.29 1mwn h HIS 85 N 0.92 0.66 -0.83 0.00 6.17 -1.23 -2.12 115.15 118.72 1mwn h HIS 85 Ca 0.22 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.27 1mwn h HIS 85 Cb 0.21 -0.22 -0.04 0.00 2.52 0.00 0.00 27.41 29.88 1mwn h HIS 85 CO 0.01 0.42 0.37 1.49 0.71 0.00 0.00 177.93 180.92 1mwn h GLU 86 N 0.72 1.22 -1.00 5.26 4.81 -1.09 -2.52 114.58 121.96 1mwn h GLU 86 Ca 0.20 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1mwn h GLU 86 Cb -0.08 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.04 1mwn h GLU 86 CO -0.05 0.96 0.66 0.35 -0.73 0.00 0.00 179.01 180.21 1mwn h PHE 87 N 1.20 1.26 -2.30 0.92 3.04 -0.66 -3.41 116.94 116.99 1mwn h PHE 87 Ca 0.28 0.03 -0.56 0.00 3.98 0.00 0.00 57.97 61.70 1mwn h PHE 87 Cb 0.17 -0.43 0.03 0.00 2.56 0.00 0.00 35.95 38.28 1mwn h PHE 87 CO 0.02 0.79 1.11 0.34 -2.02 0.00 0.00 178.31 178.55 1mwn n PHE 88 N -4.39 2.48 -2.90 0.41 7.35 -0.85 -4.90 117.46 114.66 1mwn n PHE 88 Ca 0.12 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1mwn n PHE 88 Cb 0.01 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.13 1mwn n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1mwn n GLU 89 N 6.17 0.00 -0.38 -4.13 -0.58 -1.26 -5.00 120.64 115.46 1mwn n GLU 89 Ca 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.92 1mwn n GLU 89 Cb 0.35 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.33 1mwn n GLU 89 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mwn h HIS 90 N 0.30 1.26 0.00 -0.32 2.76 -1.99 -3.55 115.15 113.62 1mwn h HIS 90 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1mwn h HIS 90 Cb 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 27.41 28.53 1mwn h HIS 90 CO 0.00 0.79 0.00 -1.91 -1.30 0.00 0.00 177.93 175.51