#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 1.08 0.00 4.33 4.81 -2.06 -2.57 114.58 120.17 1mwn h GLU 2 Ca 0.00 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1mwn h GLU 2 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1mwn h GLU 2 CO 0.00 1.03 -0.13 1.25 -0.73 0.00 0.00 179.01 180.42 1mwn h LEU 3 N 1.00 0.00 -0.12 1.64 6.46 -2.05 -3.04 115.31 119.20 1mwn h LEU 3 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1mwn h LEU 3 Cb 0.51 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1mwn h LEU 3 CO 0.02 0.13 0.08 -0.08 -0.62 0.00 0.00 178.44 177.97 1mwn h GLU 4 N 0.00 0.16 -0.57 1.25 4.81 -1.89 0.45 114.58 118.78 1mwn h GLU 4 Ca -0.00 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1mwn h GLU 4 Cb 0.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1mwn h GLU 4 CO 0.02 0.11 -0.05 1.57 -0.73 0.00 0.00 179.01 179.92 1mwn h LYS 5 N 0.16 1.04 -0.50 1.92 2.10 -1.64 -2.59 116.57 117.05 1mwn h LYS 5 Ca 0.04 -0.35 -0.09 0.00 -2.00 0.00 0.00 60.65 58.25 1mwn h LYS 5 Cb -0.02 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 1mwn h LYS 5 CO -0.01 1.04 -0.05 0.00 -2.00 0.00 0.00 179.45 178.43 1mwn h ALA 6 N 0.99 0.68 -0.74 0.07 0.00 -1.42 -1.84 119.26 117.01 1mwn h ALA 6 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1mwn h ALA 6 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1mwn h ALA 6 CO 0.04 0.54 0.48 1.98 0.00 0.00 0.00 179.25 182.29 1mwn h MET 7 N 0.78 0.98 -0.98 0.00 1.85 0.02 0.05 114.93 117.63 1mwn h MET 7 Ca 0.14 -0.07 0.01 0.00 -0.61 0.00 0.00 59.70 59.17 1mwn h MET 7 Cb 0.59 -0.22 -0.05 0.00 0.43 0.00 0.00 31.60 32.36 1mwn h MET 7 CO 0.04 0.67 0.65 0.28 -0.40 0.00 0.00 176.91 178.14 1mwn h VAL 8 N 1.00 1.25 -0.41 -5.77 2.07 -1.25 -1.33 116.25 111.81 1mwn h VAL 8 Ca 0.27 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1mwn h VAL 8 Cb -0.09 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.47 1mwn h VAL 8 CO -0.06 0.24 0.22 0.00 0.02 0.00 0.00 177.57 178.00 1mwn h ALA 9 N 1.36 0.53 -0.89 1.67 0.00 -0.33 0.28 119.26 121.88 1mwn h ALA 9 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1mwn h ALA 9 Cb -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1mwn h ALA 9 CO -0.08 0.06 0.52 -0.07 0.00 0.00 0.00 179.25 179.68 1mwn h LEU 10 N 0.53 1.09 -0.47 0.00 4.07 -0.34 1.73 115.31 121.92 1mwn h LEU 10 Ca 0.15 -0.08 -0.13 0.00 0.08 0.00 0.00 57.88 57.90 1mwn h LEU 10 Cb 0.06 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1mwn h LEU 10 CO -0.02 0.85 -0.21 0.40 -1.08 0.00 0.00 178.44 178.38 1mwn h ILE 11 N 1.23 1.27 -0.12 1.22 2.04 -0.76 -1.12 117.51 121.28 1mwn h ILE 11 Ca 0.32 -1.37 -0.23 0.00 1.00 0.00 0.00 64.86 64.57 1mwn h ILE 11 Cb -0.02 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1mwn h ILE 11 CO -0.06 0.47 -0.84 -0.78 0.00 0.00 0.00 178.15 176.95 1mwn h ASP 12 N 0.83 0.94 -0.49 1.72 1.82 0.29 -3.00 116.42 118.53 1mwn h ASP 12 Ca 0.11 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1mwn h ASP 12 Cb 0.79 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1mwn h ASP 12 CO 0.07 1.45 0.32 0.58 -1.61 0.00 0.00 179.24 180.05 1mwn h VAL 13 N 0.50 1.13 -0.00 2.25 2.07 0.27 0.85 116.25 123.32 1mwn h VAL 13 Ca -0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1mwn h VAL 13 Cb 1.48 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1mwn h VAL 13 CO 0.17 0.13 -0.00 0.15 0.02 0.00 0.00 177.57 178.04 1mwn h PHE 14 N 0.67 -0.00 -0.04 1.57 3.57 -1.06 -2.73 116.94 118.91 1mwn h PHE 14 Ca 0.18 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.54 1mwn h PHE 14 Cb -0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1mwn h PHE 14 CO 0.00 -0.00 -0.61 1.25 -2.23 0.00 0.00 178.31 176.72 1mwn h HIS 15 N -0.00 0.20 -0.36 0.41 2.76 -1.31 -1.78 115.15 115.07 1mwn h HIS 15 Ca 0.00 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1mwn h HIS 15 Cb 0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1mwn h HIS 15 CO -0.08 0.72 0.24 0.37 -1.30 0.00 0.00 177.93 177.87 1mwn h GLN 16 N 0.11 0.47 0.00 5.26 5.75 -0.56 -2.30 115.11 123.85 1mwn h GLN 16 Ca -0.01 -0.03 -0.26 0.00 -0.15 0.00 0.00 58.65 58.21 1mwn h GLN 16 Cb 1.10 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.49 1mwn h GLN 16 CO 0.09 0.31 -1.80 0.66 -2.65 0.00 0.00 178.83 175.44 1mwn n TYR 17 N -4.84 0.70 -0.17 3.99 4.01 -1.09 -4.21 117.16 115.55 1mwn n TYR 17 Ca -0.00 0.25 -0.07 0.00 -0.16 0.00 0.00 57.90 57.91 1mwn n TYR 17 Cb 0.02 -1.08 0.08 0.00 -0.31 0.00 0.00 39.34 38.06 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1mwn h SER 18 N 0.00 0.93 0.00 7.72 0.87 -1.33 -2.38 113.55 119.36 1mwn h SER 18 Ca -0.30 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1mwn h SER 18 Cb 1.89 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1mwn h SER 18 CO 0.05 0.99 0.00 0.61 -0.53 0.00 0.00 176.83 177.95 1mwn n GLY 19 N -0.51 -0.66 0.13 5.77 0.00 -0.87 -3.55 105.19 105.50 1mwn n GLY 19 Ca 0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1mwn n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mwn h ARG 20 N 0.00 0.35 -2.09 1.61 2.47 -1.62 -3.46 114.38 111.64 1mwn h ARG 20 Ca 0.00 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.82 1mwn h ARG 20 Cb 0.00 -0.08 -0.17 0.00 -1.65 0.00 0.00 29.97 28.07 1mwn h ARG 20 CO 0.00 0.23 0.53 -2.00 0.56 0.00 0.00 179.97 179.29 1mwn s GLU 21 N -6.16 0.74 1.45 0.04 2.12 -1.23 -5.15 118.70 110.51 1mwn s GLU 21 Ca -0.13 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 54.99 1mwn s GLU 21 Cb 0.09 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1mwn s GLU 21 CO 0.70 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.52 1mwn n GLY 22 N -0.08 -1.79 3.77 -1.50 0.00 -1.26 -4.83 105.19 99.51 1mwn n GLY 22 Ca -0.08 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 1mwn n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mwn s ASP 23 N -4.00 7.46 0.38 1.61 -1.08 -1.26 -4.94 116.67 114.84 1mwn s ASP 23 Ca 0.00 1.92 0.17 0.00 -0.52 0.00 0.00 52.55 54.12 1mwn s ASP 23 Cb 0.00 -2.60 0.77 0.00 -1.46 0.00 0.00 42.92 39.63 1mwn s ASP 23 CO 0.00 0.02 1.80 0.11 0.52 0.00 0.00 175.17 177.62 1mwn h LYS 24 N 3.64 0.00 0.00 4.34 1.57 -1.88 -2.70 116.57 121.54 1mwn h LYS 24 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1mwn h LYS 24 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1mwn h LYS 24 CO 0.66 0.37 0.00 0.45 -0.57 0.00 0.00 179.45 180.36 1mwn h HIS 25 N 0.00 0.00 -3.95 -1.35 3.86 -1.93 -3.45 115.15 108.33 1mwn h HIS 25 Ca -0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 1mwn h HIS 25 Cb 0.75 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.01 1mwn h HIS 25 CO 0.00 0.00 -0.79 0.15 0.86 0.00 0.00 177.93 178.15 1mwn s LYS 26 N -3.45 0.87 -0.13 2.45 1.02 -1.02 -4.08 119.74 115.41 1mwn s LYS 26 Ca 0.04 -0.97 -0.00 0.00 0.02 0.00 0.00 55.97 55.06 1mwn s LYS 26 Cb 0.09 -0.92 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 1mwn s LYS 26 CO 0.54 0.21 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.54 1mwn s LEU 27 N -1.72 2.73 0.14 3.17 1.43 -0.07 -4.40 118.68 119.97 1mwn s LEU 27 Ca -0.00 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1mwn s LEU 27 Cb -0.10 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1mwn s LEU 27 CO 0.02 0.17 0.35 -0.75 0.23 0.00 0.00 176.35 176.38 1mwn s LYS 28 N 0.29 3.58 0.25 1.70 2.20 -1.26 0.74 119.74 127.24 1mwn s LYS 28 Ca -0.10 -0.17 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 1mwn s LYS 28 Cb -0.16 -2.88 0.43 0.00 -1.51 0.00 0.00 37.83 33.71 1mwn s LYS 28 CO 0.05 0.48 1.36 1.63 -0.36 0.00 0.00 175.35 178.52 1mwn n LYS 29 N 0.05 -0.08 -0.37 4.03 5.02 -1.19 0.18 118.16 125.80 1mwn n LYS 29 Ca -0.03 1.36 -0.02 0.00 -2.02 0.00 0.00 58.31 57.60 1mwn n LYS 29 Cb 0.52 -2.04 0.11 0.00 -0.02 0.00 0.00 35.03 33.60 1mwn n LYS 29 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1mwn h SER 30 N 0.00 1.15 -0.73 4.39 0.02 -1.93 0.95 113.55 117.39 1mwn h SER 30 Ca 0.43 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1mwn h SER 30 Cb 0.68 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1mwn h SER 30 CO -0.89 0.84 0.20 -0.33 -1.14 0.00 0.00 176.83 175.51 1mwn h GLU 31 N 1.35 1.16 -0.35 3.45 5.08 0.16 -2.45 114.58 122.98 1mwn h GLU 31 Ca 0.36 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1mwn h GLU 31 Cb -0.15 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1mwn h GLU 31 CO -0.08 1.00 -0.29 1.25 -1.00 0.00 0.00 179.01 179.89 1mwn h LEU 32 N 1.10 0.75 -1.00 1.33 5.85 -0.25 -2.63 115.31 120.45 1mwn h LEU 32 Ca 0.23 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1mwn h LEU 32 Cb 0.35 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 1mwn h LEU 32 CO -0.00 0.99 0.64 0.50 -0.34 0.00 0.00 178.44 180.23 1mwn h LYS 33 N 0.62 1.09 -0.45 1.25 3.64 -0.38 0.13 116.57 122.47 1mwn h LYS 33 Ca 0.07 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1mwn h LYS 33 Cb 0.80 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1mwn h LYS 33 CO 0.07 0.72 -0.23 1.49 -2.27 0.00 0.00 179.45 179.23 1mwn h GLU 34 N 1.12 0.95 0.11 1.90 4.57 -1.23 0.99 114.58 122.99 1mwn h GLU 34 Ca 0.45 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1mwn h GLU 34 Cb 0.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1mwn h GLU 34 CO -0.20 1.08 -0.05 1.25 -1.18 0.00 0.00 179.01 179.91 1mwn h LEU 35 N 0.79 -0.12 -0.29 1.64 5.85 -0.73 0.48 115.31 122.92 1mwn h LEU 35 Ca 0.10 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 1mwn h LEU 35 Cb 0.80 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1mwn h LEU 35 CO 0.07 -0.09 -0.48 0.40 -0.34 0.00 0.00 178.44 178.00 1mwn h ILE 36 N -0.14 1.28 0.00 4.05 2.04 -0.76 0.51 117.51 124.49 1mwn h ILE 36 Ca -0.01 -1.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 1mwn h ILE 36 Cb 0.11 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1mwn h ILE 36 CO 0.02 0.54 -0.60 -1.13 0.00 0.00 0.00 178.15 176.98 1mwn h ASN 37 N 0.63 0.00 0.00 1.72 -0.73 -0.71 -0.10 115.58 116.38 1mwn h ASN 37 Ca 0.02 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.04 1mwn h ASN 37 Cb 1.09 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.66 1mwn h ASN 37 CO 0.11 0.60 -0.82 -1.13 -0.37 0.00 0.00 177.43 175.82 1mwn h ASN 38 N 0.00 0.00 0.14 1.15 -0.00 0.00 -3.02 115.58 113.85 1mwn h ASN 38 Ca -0.01 -0.63 -0.25 0.00 -0.00 0.00 0.00 56.30 55.41 1mwn h ASN 38 Cb 1.14 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.47 1mwn h ASN 38 CO 0.08 1.30 -1.22 -0.33 -0.00 0.00 0.00 177.43 177.25 1mwn h GLU 39 N -1.00 0.30 -1.01 6.67 4.39 -1.01 -3.31 114.58 119.61 1mwn h GLU 39 Ca -0.22 -0.51 -0.50 0.00 0.34 0.00 0.00 59.36 58.46 1mwn h GLU 39 Cb 1.16 0.19 -0.29 0.00 -0.10 0.00 0.00 28.75 29.71 1mwn h GLU 39 CO -0.14 1.24 0.64 1.28 -1.16 0.00 0.00 179.01 180.88 1mwn n LEU 40 N -3.96 6.62 0.00 1.33 7.99 -0.09 -4.82 117.00 124.06 1mwn n LEU 40 Ca -0.20 -3.55 0.00 0.00 -0.01 0.00 0.00 56.01 52.25 1mwn n LEU 40 Cb 0.90 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1mwn n LEU 40 CO 0.46 1.06 0.00 -0.24 -1.51 0.00 0.00 177.39 177.16 1mwn n SER 41 N -1.02 0.00 -0.11 -1.43 2.88 -0.95 -3.30 113.62 109.69 1mwn n SER 41 Ca 0.57 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1mwn n SER 41 Cb 1.51 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 65.18 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 -0.13 0.66 1.44 -1.26 -3.05 115.22 112.88 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 -0.15 -0.01 0.00 0.12 0.00 0.00 29.99 29.95 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 0.55 1.12 -3.19 -1.40 0.04 -1.88 -3.43 116.94 108.75 1mwn h PHE 43 Ca 0.00 -0.31 -0.30 0.00 2.80 0.00 0.00 57.97 60.16 1mwn h PHE 43 Cb 0.52 -0.25 -0.36 0.00 2.20 0.00 0.00 35.95 38.07 1mwn h PHE 43 CO 0.00 1.13 -0.66 -0.51 -0.60 0.00 0.00 178.31 177.68 1mwn s LEU 44 N -8.95 0.18 -0.00 1.54 1.43 -1.21 -5.03 118.68 106.64 1mwn s LEU 44 Ca -0.11 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1mwn s LEU 44 Cb 0.12 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.52 1mwn s LEU 44 CO 0.88 -0.22 0.01 1.21 0.23 0.00 0.00 176.35 178.45 1mwn n GLU 45 N 5.05 -0.93 -2.71 1.70 4.07 -1.26 -4.41 120.64 122.14 1mwn n GLU 45 Ca -0.10 0.85 -0.43 0.00 -0.06 0.00 0.00 57.16 57.43 1mwn n GLU 45 Cb 0.50 -0.83 -0.03 0.00 -0.06 0.00 0.00 31.44 31.02 1mwn n GLU 45 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1mwn s GLU 46 N -0.02 4.18 -0.52 5.31 2.12 -1.17 -4.66 118.70 123.94 1mwn s GLU 46 Ca -0.01 1.17 -0.27 0.00 0.36 0.00 0.00 54.97 56.22 1mwn s GLU 46 Cb 0.00 -3.67 0.03 0.00 0.26 0.00 0.00 34.13 30.75 1mwn s GLU 46 CO 0.02 -0.67 1.09 0.42 -0.54 0.00 0.00 175.26 175.57 1mwn s ILE 47 N 3.22 4.22 -0.07 -3.70 -1.09 -1.26 -4.74 121.20 117.77 1mwn s ILE 47 Ca 0.42 0.90 0.03 0.00 -2.23 0.00 0.00 60.65 59.77 1mwn s ILE 47 Cb -0.14 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.09 1mwn s ILE 47 CO 0.09 -1.10 0.10 2.29 -1.23 0.00 0.00 174.94 175.09 1mwn n LYS 48 N 7.86 2.61 -4.36 2.79 0.00 -1.26 -4.89 118.16 120.92 1mwn n LYS 48 Ca 0.08 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.31 58.13 1mwn n LYS 48 Cb 0.49 -0.90 -0.12 0.00 -0.00 0.00 0.00 35.03 34.50 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 -1.84 1.33 0.48 -1.58 2.02 -1.26 -5.01 118.70 112.85 1mwn s GLU 49 Ca -0.00 -1.38 0.28 0.00 0.02 0.00 0.00 54.97 53.89 1mwn s GLU 49 Cb 0.02 -1.58 0.95 0.00 0.10 0.00 0.00 34.13 33.62 1mwn s GLU 49 CO 0.14 0.35 1.83 -0.56 0.02 0.00 0.00 175.26 177.04 1mwn h GLN 50 N 3.52 0.00 -0.65 1.61 3.07 -1.99 -3.17 115.11 117.49 1mwn h GLN 50 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1mwn h GLN 50 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.72 1mwn h GLN 50 CO 0.46 0.08 0.41 1.05 0.09 0.00 0.00 178.83 180.91 1mwn h GLU 51 N 0.00 0.87 -0.04 0.06 4.11 -1.97 1.52 114.58 119.13 1mwn h GLU 51 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1mwn h GLU 51 Cb 0.73 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1mwn h GLU 51 CO 0.01 0.61 0.03 0.28 0.07 0.00 0.00 179.01 180.00 1mwn h VAL 52 N 0.88 1.01 -0.28 -1.06 2.07 -1.97 0.49 116.25 117.40 1mwn h VAL 52 Ca 0.24 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1mwn h VAL 52 Cb -0.06 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1mwn h VAL 52 CO -0.05 0.01 0.18 0.58 0.02 0.00 0.00 177.57 178.31 1mwn h VAL 53 N 0.06 1.08 -0.63 2.57 2.07 -1.51 1.28 116.25 121.18 1mwn h VAL 53 Ca 0.02 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1mwn h VAL 53 Cb -0.01 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1mwn h VAL 53 CO -0.00 0.08 0.41 -0.78 0.02 0.00 0.00 177.57 177.29 1mwn h ASP 54 N 0.37 0.73 -0.28 0.57 1.82 0.27 2.90 116.42 122.80 1mwn h ASP 54 Ca 0.10 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.55 1mwn h ASP 54 Cb -0.02 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 1mwn h ASP 54 CO -0.02 0.54 -0.42 0.50 -1.61 0.00 0.00 179.24 178.23 1mwn h LYS 55 N 0.85 0.84 0.01 0.28 3.64 0.51 0.03 116.57 122.72 1mwn h LYS 55 Ca 0.23 -0.46 -0.19 0.00 -1.27 0.00 0.00 60.65 58.96 1mwn h LYS 55 Cb -0.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1mwn h LYS 55 CO -0.05 1.09 -0.88 0.28 -2.27 0.00 0.00 179.45 177.63 1mwn h VAL 56 N 0.68 1.54 -0.20 2.00 2.07 0.23 -2.75 116.25 119.82 1mwn h VAL 56 Ca 0.05 -2.75 -0.16 0.00 0.82 0.00 0.00 66.70 64.65 1mwn h VAL 56 Cb 1.00 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1mwn h VAL 56 CO 0.10 0.79 -0.52 -0.03 0.02 0.00 0.00 177.57 177.93 1mwn h MET 57 N 0.06 0.70 -0.01 1.57 1.85 0.53 -2.56 114.93 117.07 1mwn h MET 57 Ca -0.03 -0.49 -0.01 0.00 -0.61 0.00 0.00 59.70 58.55 1mwn h MET 57 Cb 1.52 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.63 1mwn h MET 57 CO 0.13 1.11 -0.05 1.49 -0.40 0.00 0.00 176.91 179.19 1mwn h GLU 58 N 0.40 0.02 -0.20 0.39 4.81 -1.00 2.66 114.58 121.66 1mwn h GLU 58 Ca -0.01 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1mwn h GLU 58 Cb 1.14 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1mwn h GLU 58 CO 0.11 0.07 -0.09 1.15 -0.73 0.00 0.00 179.01 179.52 1mwn h THR 59 N 0.02 1.18 0.00 0.32 2.02 -1.15 -3.23 112.91 112.07 1mwn h THR 59 Ca 0.00 -0.76 -0.34 0.00 0.77 0.00 0.00 66.41 66.08 1mwn h THR 59 Cb 0.10 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1mwn h THR 59 CO 0.01 0.24 -2.12 0.18 0.37 0.00 0.00 175.52 174.20 1mwn n LEU 60 N -4.28 1.54 -2.79 2.58 4.77 -0.11 -4.54 117.00 114.16 1mwn n LEU 60 Ca -0.00 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 1mwn n LEU 60 Cb 0.26 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 1mwn n LEU 60 CO 0.38 0.40 1.97 -0.67 -1.33 0.00 0.00 177.39 178.14 1mwn n ASP 61 N -3.99 4.52 0.00 -1.43 -0.08 0.87 -4.47 116.55 111.98 1mwn n ASP 61 Ca -0.41 -2.25 0.01 0.00 -1.51 0.00 0.00 54.79 50.63 1mwn n ASP 61 Cb 0.78 -1.04 0.06 0.00 2.34 0.00 0.00 41.12 43.26 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mwn n GLU 62 N 3.56 0.32 -0.04 -0.67 1.02 -1.22 -0.42 120.64 123.20 1mwn n GLU 62 Ca 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.49 1mwn n GLU 62 Cb 0.31 -1.10 -0.14 0.00 -0.02 0.00 0.00 31.44 30.49 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1mwn n ASP 63 N -0.60 0.43 -0.00 1.62 8.00 -1.26 -4.95 116.55 119.79 1mwn n ASP 63 Ca 0.02 0.20 -0.00 0.00 0.71 0.00 0.00 54.79 55.72 1mwn n ASP 63 Cb 0.01 0.63 -0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1mwn n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mwn n GLY 64 N 1.56 0.50 0.02 0.44 0.00 0.44 -4.86 105.19 103.29 1mwn n GLY 64 Ca -0.20 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.02 0.07 -1.19 1.61 5.75 -1.26 -4.83 116.55 116.70 1mwn n ASP 65 Ca -0.00 -1.32 -0.11 0.00 -0.01 0.00 0.00 54.79 53.35 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 0.86 0.02 3.16 6.12 0.00 -1.26 -5.00 105.19 109.09 1mwn n GLY 66 Ca 0.17 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.42 0.69 -0.11 1.61 2.02 -1.26 -3.14 118.70 114.09 1mwn s GLU 67 Ca 0.00 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 1mwn s GLU 67 Cb 0.00 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1mwn s GLU 67 CO 0.00 -0.20 -0.08 0.00 0.02 0.00 0.00 175.26 175.00 1mwn s ASP 69 N 1.59 4.66 0.26 0.00 1.01 -1.26 -0.89 116.67 122.03 1mwn s ASP 69 Ca 0.03 0.84 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 1mwn s ASP 69 Cb -0.13 -1.38 0.30 0.00 1.01 0.00 0.00 42.92 42.72 1mwn s ASP 69 CO -0.07 -1.82 1.92 2.19 0.21 0.00 0.00 175.17 177.61 1mwn h PHE 70 N -0.99 1.25 -0.87 4.23 -5.15 -1.94 0.24 116.94 113.71 1mwn h PHE 70 Ca -0.46 0.03 -0.02 0.00 -0.20 0.00 0.00 57.97 57.32 1mwn h PHE 70 Cb 1.32 -0.42 -0.04 0.00 0.22 0.00 0.00 35.95 37.03 1mwn h PHE 70 CO 0.34 0.76 0.47 0.37 -2.00 0.00 0.00 178.31 178.25 1mwn h GLN 71 N 1.32 1.22 -0.29 6.09 5.75 -1.93 0.18 115.11 127.44 1mwn h GLN 71 Ca 0.38 -0.15 -0.13 0.00 -0.15 0.00 0.00 58.65 58.60 1mwn h GLN 71 Cb -0.09 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.23 1mwn h GLN 71 CO -0.10 0.90 -0.32 0.93 -2.65 0.00 0.00 178.83 177.59 1mwn h GLU 72 N 1.22 0.73 -0.29 1.69 5.08 -1.47 -2.99 114.58 118.55 1mwn h GLU 72 Ca 0.31 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1mwn h GLU 72 Cb 0.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1mwn h GLU 72 CO -0.05 1.02 -0.14 0.35 -1.00 0.00 0.00 179.01 179.19 1mwn h PHE 73 N 0.48 0.54 -0.21 4.33 3.57 -0.27 -2.12 116.94 123.27 1mwn h PHE 73 Ca 0.04 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1mwn h PHE 73 Cb 0.90 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1mwn h PHE 73 CO 0.07 0.63 0.14 0.52 -2.23 0.00 0.00 178.31 177.44 1mwn h MET 74 N 0.46 0.27 0.00 1.11 2.86 -0.51 0.40 114.93 119.53 1mwn h MET 74 Ca 0.08 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1mwn h MET 74 Cb 0.52 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1mwn h MET 74 CO 0.03 0.18 -0.41 0.00 1.06 0.00 0.00 176.91 177.77 1mwn h ALA 75 N 1.87 1.14 -0.86 6.32 0.00 -1.29 -2.96 119.26 123.48 1mwn h ALA 75 Ca 0.08 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1mwn h ALA 75 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1mwn h ALA 75 CO -0.02 0.52 0.57 0.35 0.00 0.00 0.00 179.25 180.67 1mwn h PHE 76 N 0.00 1.09 -0.59 0.00 3.57 -0.86 0.46 116.94 120.60 1mwn h PHE 76 Ca -0.00 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1mwn h PHE 76 Cb 0.82 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1mwn h PHE 76 CO 0.00 0.69 0.02 0.28 -2.23 0.00 0.00 178.31 177.07 1mwn h VAL 77 N 1.17 1.26 -0.47 1.41 2.07 -1.50 -1.42 116.25 118.78 1mwn h VAL 77 Ca 0.32 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1mwn h VAL 77 Cb -0.14 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1mwn h VAL 77 CO -0.07 0.40 0.07 0.28 0.02 0.00 0.00 177.57 178.28 1mwn h SER 78 N 0.93 0.74 -0.14 0.57 0.02 -1.27 0.47 113.55 114.88 1mwn h SER 78 Ca 0.17 -0.26 -0.23 0.00 -0.84 0.00 0.00 61.79 60.63 1mwn h SER 78 Cb 0.53 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1mwn h SER 78 CO 0.03 0.82 -0.81 0.00 -1.14 0.00 0.00 176.83 175.72 1mwn h MET 79 N 0.64 0.79 0.03 3.45 -0.00 -0.84 -1.79 114.93 117.22 1mwn h MET 79 Ca 0.14 -0.67 -0.21 0.00 -0.00 0.00 0.00 59.70 58.96 1mwn h MET 79 Cb 0.39 0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 1mwn h MET 79 CO 0.01 1.27 -0.97 0.28 -0.00 0.00 0.00 176.91 177.50 1mwn h VAL 80 N 0.53 1.53 -0.64 -0.10 2.07 -1.24 -2.57 116.25 115.84 1mwn h VAL 80 Ca -0.06 -2.84 -0.09 0.00 0.82 0.00 0.00 66.70 64.52 1mwn h VAL 80 Cb 1.45 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 1mwn h VAL 80 CO 0.17 0.83 0.05 0.74 0.02 0.00 0.00 177.57 179.37 1mwn h THR 81 N 0.08 1.26 -0.76 2.57 2.02 -0.07 -2.38 112.91 115.64 1mwn h THR 81 Ca -0.06 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 1mwn h THR 81 Cb 1.64 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1mwn h THR 81 CO 0.15 0.41 0.25 0.74 0.37 0.00 0.00 175.52 177.43 1mwn h THR 82 N 1.01 1.26 -0.96 3.16 2.02 -1.28 -2.54 112.91 115.58 1mwn h THR 82 Ca 0.19 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1mwn h THR 82 Cb 0.51 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 1mwn h THR 82 CO 0.02 0.36 0.58 0.00 0.37 0.00 0.00 175.52 176.85 1mwn h ALA 83 N 1.13 1.22 -0.85 6.16 0.00 -1.06 -1.78 119.26 124.09 1mwn h ALA 83 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1mwn h ALA 83 Cb 0.30 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1mwn h ALA 83 CO -0.01 0.67 0.56 0.00 0.00 0.00 0.00 179.25 180.47 1mwn h HIS 85 N 1.15 1.25 0.00 0.00 6.17 -1.10 -0.40 115.15 122.23 1mwn h HIS 85 Ca 0.31 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.41 1mwn h HIS 85 Cb -0.13 -0.42 0.00 0.00 2.52 0.00 0.00 27.41 29.38 1mwn h HIS 85 CO -0.01 0.81 0.00 0.39 0.71 0.00 0.00 177.93 179.82 1mwn n GLU 86 N -4.37 0.11 0.33 5.26 1.02 -0.48 -3.23 120.64 119.28 1mwn n GLU 86 Ca 0.11 0.22 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 1mwn n GLU 86 Cb 0.03 -1.50 0.55 0.00 -0.02 0.00 0.00 31.44 30.50 1mwn n GLU 86 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1mwn h PHE 87 N 0.00 0.00 -2.23 -0.32 3.57 -0.83 -3.39 116.94 113.74 1mwn h PHE 87 Ca 0.00 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 1mwn h PHE 87 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1mwn h PHE 87 CO 0.00 0.00 1.35 -0.06 -2.23 0.00 0.00 178.31 177.37 1mwn s PHE 88 N -4.06 1.32 -2.68 0.41 0.40 -1.20 -4.80 117.98 107.37 1mwn s PHE 88 Ca -0.02 0.15 0.26 0.00 -0.60 0.00 0.00 56.93 56.72 1mwn s PHE 88 Cb 0.06 -4.06 0.65 0.00 0.51 0.00 0.00 43.02 40.18 1mwn s PHE 88 CO 0.18 -4.53 1.52 -0.85 0.70 0.00 0.00 175.22 172.24 1mwn n GLU 89 N 8.16 1.91 0.00 0.44 0.28 -1.26 -4.92 120.64 125.26 1mwn n GLU 89 Ca 0.25 -1.36 0.00 0.00 -0.16 0.00 0.00 57.16 55.89 1mwn n GLU 89 Cb 0.44 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.83 1mwn n GLU 89 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1mwn n HIS 90 N 0.64 0.00 1.64 -1.84 -0.00 -1.26 -5.30 115.22 109.11 1mwn n HIS 90 Ca 0.16 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 58.03 1mwn n HIS 90 Cb 0.46 -0.28 0.65 0.00 -0.00 0.00 0.00 29.99 30.82 1mwn n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43