#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 0.14 -0.21 -1.46 4.81 -2.06 -2.84 114.58 112.96 1mwn h GLU 2 Ca 0.00 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1mwn h GLU 2 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1mwn h GLU 2 CO 0.00 0.54 0.26 1.25 -0.73 0.00 0.00 179.01 180.34 1mwn h LEU 3 N 0.11 0.00 -0.22 1.64 5.85 -2.04 -2.50 115.31 118.16 1mwn h LEU 3 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1mwn h LEU 3 Cb 0.81 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1mwn h LEU 3 CO 0.06 0.00 0.14 -0.33 -0.34 0.00 0.00 178.44 177.97 1mwn h GLU 4 N 0.00 0.28 -0.40 1.25 5.08 -1.93 1.08 114.58 119.95 1mwn h GLU 4 Ca 0.10 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1mwn h GLU 4 Cb 0.63 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1mwn h GLU 4 CO -0.00 0.19 -0.21 1.57 -1.00 0.00 0.00 179.01 179.56 1mwn h LYS 5 N 0.29 0.84 -0.28 2.33 2.10 -1.66 -2.79 116.57 117.40 1mwn h LYS 5 Ca 0.08 -0.37 -0.14 0.00 -2.00 0.00 0.00 60.65 58.22 1mwn h LYS 5 Cb -0.03 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1mwn h LYS 5 CO -0.02 1.01 -0.35 0.00 -2.00 0.00 0.00 179.45 178.09 1mwn h ALA 6 N 0.81 0.42 -0.84 0.07 0.00 -1.42 -1.43 119.26 116.86 1mwn h ALA 6 Ca 0.09 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1mwn h ALA 6 Cb 0.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1mwn h ALA 6 CO 0.06 0.49 0.56 1.98 0.00 0.00 0.00 179.25 182.35 1mwn h MET 7 N 0.49 1.11 -0.78 0.00 1.85 0.12 0.27 114.93 117.98 1mwn h MET 7 Ca 0.04 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.01 1mwn h MET 7 Cb 0.94 -0.25 -0.03 0.00 0.43 0.00 0.00 31.60 32.68 1mwn h MET 7 CO 0.08 0.73 0.29 0.28 -0.40 0.00 0.00 176.91 177.90 1mwn h VAL 8 N 1.14 1.26 -0.39 -5.77 2.07 -1.41 -2.20 116.25 110.95 1mwn h VAL 8 Ca 0.31 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1mwn h VAL 8 Cb -0.13 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1mwn h VAL 8 CO -0.07 0.35 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1mwn h ALA 9 N 1.15 0.50 -0.99 1.67 0.00 -0.01 0.21 119.26 121.79 1mwn h ALA 9 Ca 0.26 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1mwn h ALA 9 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1mwn h ALA 9 CO -0.02 -0.03 0.64 -0.07 0.00 0.00 0.00 179.25 179.78 1mwn h LEU 10 N 0.52 1.15 -0.55 0.00 3.38 -0.66 0.51 115.31 119.66 1mwn h LEU 10 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1mwn h LEU 10 Cb -0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1mwn h LEU 10 CO -0.03 0.84 -0.10 0.40 0.09 0.00 0.00 178.44 179.64 1mwn h ILE 11 N 1.35 1.27 -0.36 1.22 2.04 -0.76 -0.68 117.51 121.59 1mwn h ILE 11 Ca 0.36 -1.27 -0.16 0.00 1.00 0.00 0.00 64.86 64.79 1mwn h ILE 11 Cb -0.14 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1mwn h ILE 11 CO -0.08 0.45 -0.40 -0.78 0.00 0.00 0.00 178.15 177.34 1mwn h ASP 12 N 0.93 0.97 -0.98 1.72 1.82 0.29 -2.75 116.42 118.42 1mwn h ASP 12 Ca 0.14 -0.48 0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1mwn h ASP 12 Cb 0.68 -0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 1mwn h ASP 12 CO 0.05 1.26 0.65 0.58 -1.61 0.00 0.00 179.24 180.16 1mwn h VAL 13 N 0.71 1.25 -0.19 2.25 2.07 0.17 -0.16 116.25 122.36 1mwn h VAL 13 Ca 0.05 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1mwn h VAL 13 Cb 1.00 -0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1mwn h VAL 13 CO 0.10 0.24 -0.46 -0.26 0.02 0.00 0.00 177.57 177.21 1mwn h PHE 14 N 1.33 -1.33 0.00 1.57 0.04 -0.81 -1.45 116.94 116.29 1mwn h PHE 14 Ca 0.36 0.06 -0.04 0.00 2.80 0.00 0.00 57.97 61.14 1mwn h PHE 14 Cb -0.15 0.61 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1mwn h PHE 14 CO 0.00 -0.49 -0.20 1.25 -0.60 0.00 0.00 178.31 178.27 1mwn h HIS 15 N -0.49 0.00 -0.99 -0.55 2.76 -1.42 -1.48 115.15 112.98 1mwn h HIS 15 Ca 0.08 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 1mwn h HIS 15 Cb 0.63 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.52 1mwn h HIS 15 CO -0.54 0.20 0.63 0.37 -1.30 0.00 0.00 177.93 177.29 1mwn h GLN 16 N 0.00 1.02 0.00 5.26 5.75 0.10 -3.19 115.11 124.04 1mwn h GLN 16 Ca -0.00 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1mwn h GLN 16 Cb 0.88 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1mwn h GLN 16 CO 0.03 0.67 -1.01 2.48 -2.65 0.00 0.00 178.83 178.35 1mwn n TYR 17 N -4.58 0.00 -0.38 3.99 4.11 -1.19 -4.70 117.16 114.41 1mwn n TYR 17 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 58.05 1mwn n TYR 17 Cb 0.29 -0.01 0.11 0.00 -0.00 0.00 0.00 39.34 39.73 1mwn n TYR 17 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.86 177.63 1mwn h SER 18 N 0.00 1.16 0.00 9.48 0.02 -1.35 0.29 113.55 123.15 1mwn h SER 18 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1mwn h SER 18 Cb 0.43 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1mwn h SER 18 CO 0.00 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 1mwn n GLY 19 N -1.38 -0.65 0.15 -3.77 0.00 -1.21 -3.44 105.19 94.90 1mwn n GLY 19 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 0.42 -2.36 1.61 2.43 -1.21 -3.47 114.38 111.81 1mwn h ARG 20 Ca 0.00 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 1mwn h ARG 20 Cb 0.00 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.39 1mwn h ARG 20 CO 0.00 0.28 0.51 -2.00 -1.51 0.00 0.00 179.97 177.26 1mwn s GLU 21 N -6.16 1.22 0.86 0.20 2.12 -1.22 -5.15 118.70 110.57 1mwn s GLU 21 Ca -0.13 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1mwn s GLU 21 Cb 0.10 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.88 1mwn s GLU 21 CO 0.71 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1mwn n GLY 22 N -0.52 -1.74 0.51 -1.50 0.00 -1.26 -4.26 105.19 96.42 1mwn n GLY 22 Ca -0.06 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.39 1mwn n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mwn n ASP 23 N 0.03 1.59 0.00 1.61 8.00 -1.26 -4.93 116.55 121.59 1mwn n ASP 23 Ca 0.00 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.94 1mwn n ASP 23 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1mwn n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1mwn n LYS 24 N 0.24 0.00 0.19 -1.24 0.00 -1.26 -4.54 118.16 111.55 1mwn n LYS 24 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.63 1mwn n LYS 24 Cb 0.36 0.00 0.52 0.00 0.00 0.00 0.00 35.03 35.90 1mwn n LYS 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1mwn h HIS 25 N 0.00 0.00 -3.74 5.64 3.86 -1.91 -3.44 115.15 115.55 1mwn h HIS 25 Ca 0.00 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.76 1mwn h HIS 25 Cb 0.00 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 28.27 1mwn h HIS 25 CO 0.00 0.00 -0.78 0.15 0.86 0.00 0.00 177.93 178.16 1mwn s LYS 26 N -3.40 1.00 -0.22 2.45 1.02 -1.26 -4.44 119.74 114.89 1mwn s LYS 26 Ca 0.04 -1.15 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 1mwn s LYS 26 Cb 0.09 -1.01 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 1mwn s LYS 26 CO 0.50 0.21 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.58 1mwn s LEU 27 N -2.14 2.85 0.34 3.17 1.43 -0.32 -4.40 118.68 119.61 1mwn s LEU 27 Ca 0.06 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1mwn s LEU 27 Cb -0.08 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.34 1mwn s LEU 27 CO 0.03 -0.02 0.75 -0.75 0.23 0.00 0.00 176.35 176.59 1mwn s LYS 28 N 1.46 3.96 0.34 1.70 2.20 -1.26 0.46 119.74 128.60 1mwn s LYS 28 Ca 0.06 0.64 0.14 0.00 -0.36 0.00 0.00 55.97 56.44 1mwn s LYS 28 Cb -0.14 -2.41 1.05 0.00 -1.51 0.00 0.00 37.83 34.82 1mwn s LYS 28 CO -0.04 0.11 1.68 1.57 -0.36 0.00 0.00 175.35 178.30 1mwn h LYS 29 N 2.02 0.37 -1.00 4.03 2.10 -1.91 1.10 116.57 123.27 1mwn h LYS 29 Ca -0.48 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.16 1mwn h LYS 29 Cb 1.18 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 32.37 1mwn h LYS 29 CO 0.65 0.24 0.66 0.77 -2.00 0.00 0.00 179.45 179.77 1mwn h SER 30 N 0.38 1.15 -0.37 7.07 0.02 -1.91 0.39 113.55 120.27 1mwn h SER 30 Ca 0.72 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.47 1mwn h SER 30 Cb 1.59 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1mwn h SER 30 CO -0.58 0.84 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.21 1mwn h GLU 31 N 1.36 0.94 -0.91 3.45 5.08 0.81 -2.98 114.58 122.33 1mwn h GLU 31 Ca 0.37 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1mwn h GLU 31 Cb -0.15 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 1mwn h GLU 31 CO -0.08 1.16 0.51 1.25 -1.00 0.00 0.00 179.01 180.86 1mwn h LEU 32 N 0.76 1.11 -1.00 1.33 5.85 -0.34 -1.63 115.31 121.39 1mwn h LEU 32 Ca 0.05 -0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.81 1mwn h LEU 32 Cb 1.01 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1mwn h LEU 32 CO 0.10 0.88 0.63 0.50 -0.34 0.00 0.00 178.44 180.21 1mwn h LYS 33 N 1.26 0.97 -0.44 1.25 3.64 -0.79 0.14 116.57 122.61 1mwn h LYS 33 Ca 0.32 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.50 1mwn h LYS 33 Cb -0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1mwn h LYS 33 CO -0.05 0.64 -0.30 1.49 -2.27 0.00 0.00 179.45 178.96 1mwn h GLU 34 N 1.00 0.98 -0.06 1.90 4.57 -1.28 -0.31 114.58 121.38 1mwn h GLU 34 Ca 0.50 -0.47 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1mwn h GLU 34 Cb 0.48 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1mwn h GLU 34 CO -0.26 1.14 -0.02 1.25 -1.18 0.00 0.00 179.01 179.94 1mwn h LEU 35 N 0.82 -0.06 -0.19 1.64 5.85 -0.12 1.01 115.31 124.26 1mwn h LEU 35 Ca 0.09 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1mwn h LEU 35 Cb 0.89 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1mwn h LEU 35 CO 0.08 -0.02 -0.12 0.40 -0.34 0.00 0.00 178.44 178.44 1mwn h ILE 36 N 0.00 1.32 0.00 4.05 2.04 -0.83 -1.11 117.51 122.98 1mwn h ILE 36 Ca 0.03 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1mwn h ILE 36 Cb 0.05 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1mwn h ILE 36 CO -0.07 0.37 -0.22 -1.13 0.00 0.00 0.00 178.15 177.10 1mwn h ASN 37 N 0.11 0.00 0.52 1.72 -0.00 -0.91 0.65 115.58 117.66 1mwn h ASN 37 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.05 1mwn h ASN 37 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.91 1mwn h ASN 37 CO 0.03 0.22 -1.58 -1.13 -0.00 0.00 0.00 177.43 174.98 1mwn h ASN 38 N 0.00 0.17 0.00 1.15 -0.00 0.12 -2.95 115.58 114.06 1mwn h ASN 38 Ca -0.00 -0.28 -0.21 0.00 -0.00 0.00 0.00 56.30 55.81 1mwn h ASN 38 Cb 0.88 -0.05 -0.04 0.00 -0.00 0.00 0.00 38.32 39.11 1mwn h ASN 38 CO 0.03 1.24 -1.92 -0.62 -0.00 0.00 0.00 177.43 176.16 1mwn n GLU 39 N -3.27 1.42 -1.38 6.67 1.02 -0.43 -4.51 120.64 120.16 1mwn n GLU 39 Ca -0.16 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.81 1mwn n GLU 39 Cb 1.03 -1.37 0.11 0.00 -0.02 0.00 0.00 31.44 31.19 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 -2.42 4.49 0.00 -4.62 4.77 0.22 -4.84 117.00 114.61 1mwn n LEU 40 Ca -0.19 -4.32 0.00 0.00 -0.03 0.00 0.00 56.01 51.47 1mwn n LEU 40 Cb 0.85 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1mwn n LEU 40 CO 0.31 1.72 0.00 -1.54 -1.33 0.00 0.00 177.39 176.55 1mwn n SER 41 N -0.91 0.00 -0.88 -1.43 3.41 -1.05 -3.92 113.62 108.83 1mwn n SER 41 Ca 0.38 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.08 1mwn n SER 41 Cb 0.89 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.98 1mwn n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1mwn n HIS 42 N 0.00 0.26 -0.14 7.33 8.25 -1.26 -3.73 115.22 125.94 1mwn n HIS 42 Ca 0.00 -0.16 -0.12 0.00 -0.26 0.00 0.00 57.72 57.17 1mwn n HIS 42 Cb 0.00 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1mwn h PHE 43 N 3.69 1.15 0.00 4.41 0.04 -1.89 -3.46 116.94 120.89 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 0.84 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1mwn h PHE 43 CO 0.13 1.15 0.00 1.28 -0.60 0.00 0.00 178.31 180.27 1mwn n LEU 44 N -4.08 0.00 -4.75 1.54 4.32 -1.25 -5.09 117.00 107.69 1mwn n LEU 44 Ca -0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.60 1mwn n LEU 44 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 1mwn n LEU 44 CO 0.48 0.00 0.19 -0.70 -1.22 0.00 0.00 177.39 176.14 1mwn s GLU 45 N 0.88 4.26 -0.27 3.23 -6.30 -1.26 -5.04 118.70 114.20 1mwn s GLU 45 Ca 0.00 0.52 -0.18 0.00 -2.50 0.00 0.00 54.97 52.81 1mwn s GLU 45 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 34.13 30.73 1mwn s GLU 45 CO 0.00 0.31 0.51 -2.00 0.02 0.00 0.00 175.26 174.10 1mwn s GLU 46 N 0.11 4.04 -0.30 4.30 2.12 -1.24 -4.55 118.70 123.17 1mwn s GLU 46 Ca 0.27 0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.75 1mwn s GLU 46 Cb -0.16 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 1mwn s GLU 46 CO 0.13 -0.37 0.28 0.42 -0.54 0.00 0.00 175.26 175.18 1mwn s ILE 47 N 2.31 5.24 0.00 -3.70 -1.09 -1.26 -4.82 121.20 117.88 1mwn s ILE 47 Ca 0.21 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1mwn s ILE 47 Cb -0.16 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1mwn s ILE 47 CO 0.09 0.12 0.00 2.29 -1.23 0.00 0.00 174.94 176.22 1mwn n LYS 48 N 5.21 1.19 -4.32 2.79 -0.00 -1.26 -4.93 118.16 116.84 1mwn n LYS 48 Ca -0.11 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.96 1mwn n LYS 48 Cb 0.51 -0.10 -0.12 0.00 -0.00 0.00 0.00 35.03 35.32 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 -0.17 1.22 0.46 -1.58 2.02 -1.26 -5.00 118.70 114.39 1mwn s GLU 49 Ca 0.00 -1.28 0.29 0.00 0.02 0.00 0.00 54.97 54.00 1mwn s GLU 49 Cb 0.00 -1.44 1.07 0.00 0.10 0.00 0.00 34.13 33.85 1mwn s GLU 49 CO 0.00 0.32 1.85 -0.56 0.02 0.00 0.00 175.26 176.89 1mwn h GLN 50 N 3.73 0.00 -1.00 1.61 3.07 -1.99 -3.15 115.11 117.38 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 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.70 1mwn h GLN 50 CO 0.44 0.00 0.67 1.05 0.09 0.00 0.00 178.83 181.07 1mwn h GLU 51 N 0.00 1.32 -0.04 0.06 -0.00 -1.97 2.28 114.58 116.24 1mwn h GLU 51 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1mwn h GLU 51 Cb 0.60 -0.30 -0.00 0.00 -0.00 0.00 0.00 28.75 29.05 1mwn h GLU 51 CO 0.00 0.87 -0.02 0.28 -0.00 0.00 0.00 179.01 180.15 1mwn h VAL 52 N 1.36 1.32 -0.77 -1.06 2.07 -1.96 0.41 116.25 117.62 1mwn h VAL 52 Ca 0.37 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1mwn h VAL 52 Cb -0.16 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1mwn h VAL 52 CO -0.08 0.27 0.42 0.58 0.02 0.00 0.00 177.57 178.78 1mwn h VAL 53 N -0.30 1.23 -0.29 2.57 2.07 -1.54 1.43 116.25 121.42 1mwn h VAL 53 Ca 0.01 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1mwn h VAL 53 Cb 0.45 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1mwn h VAL 53 CO 0.01 0.26 -0.32 0.44 0.02 0.00 0.00 177.57 177.98 1mwn h ASP 54 N 1.07 0.78 -0.40 0.57 3.32 0.40 0.64 116.42 122.80 1mwn h ASP 54 Ca 0.27 -0.48 -0.14 0.00 0.02 0.00 0.00 57.03 56.70 1mwn h ASP 54 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1mwn h ASP 54 CO -0.04 1.10 -0.26 0.50 -1.72 0.00 0.00 179.24 178.82 1mwn h LYS 55 N 0.48 0.92 -0.16 3.56 3.64 0.25 0.90 116.57 126.16 1mwn h LYS 55 Ca 0.04 -0.41 -0.13 0.00 -1.27 0.00 0.00 60.65 58.88 1mwn h LYS 55 Cb 0.90 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1mwn h LYS 55 CO 0.08 1.07 -0.47 0.28 -2.27 0.00 0.00 179.45 178.14 1mwn h VAL 56 N 0.79 1.32 -0.24 2.00 2.07 0.21 -2.60 116.25 119.81 1mwn h VAL 56 Ca 0.09 -1.67 -0.20 0.00 0.82 0.00 0.00 66.70 65.74 1mwn h VAL 56 Cb 0.83 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1mwn h VAL 56 CO 0.07 0.51 -0.64 0.24 0.02 0.00 0.00 177.57 177.77 1mwn h MET 57 N 0.32 0.86 0.00 1.57 2.86 0.62 -2.39 114.93 118.76 1mwn h MET 57 Ca 0.02 -0.60 -0.00 0.00 -2.06 0.00 0.00 59.70 57.06 1mwn h MET 57 Cb 0.94 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1mwn h MET 57 CO 0.08 1.23 -0.00 0.93 1.06 0.00 0.00 176.91 180.21 1mwn h GLU 58 N 0.63 0.00 -0.34 1.72 4.39 -0.68 3.11 114.58 123.41 1mwn h GLU 58 Ca -0.01 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1mwn h GLU 58 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1mwn h GLU 58 CO 0.14 0.00 -0.41 1.15 -1.16 0.00 0.00 179.01 178.72 1mwn h THR 59 N 0.00 1.28 0.00 1.13 2.02 -1.04 -3.32 112.91 112.98 1mwn h THR 59 Ca -0.00 -1.59 -0.18 0.00 0.77 0.00 0.00 66.41 65.41 1mwn h THR 59 Cb 0.00 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1mwn h THR 59 CO 0.00 0.52 -1.47 0.18 0.37 0.00 0.00 175.52 175.12 1mwn n LEU 60 N -4.04 1.58 -2.76 2.58 4.32 -0.22 -4.56 117.00 113.90 1mwn n LEU 60 Ca -0.02 0.26 -0.14 0.00 -0.02 0.00 0.00 56.01 56.09 1mwn n LEU 60 Cb 0.55 -0.62 -0.05 0.00 -1.62 0.00 0.00 43.42 41.69 1mwn n LEU 60 CO 0.48 0.03 1.71 -0.67 -1.22 0.00 0.00 177.39 177.72 1mwn n ASP 61 N -4.06 3.63 0.00 -1.43 2.03 1.02 -4.38 116.55 113.36 1mwn n ASP 61 Ca -0.26 -2.16 0.05 0.00 0.52 0.00 0.00 54.79 52.94 1mwn n ASP 61 Cb 0.59 -0.89 0.27 0.00 -0.72 0.00 0.00 41.12 40.37 1mwn n ASP 61 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1mwn n GLU 62 N 3.61 0.36 0.08 -0.67 1.02 -1.25 -0.87 120.64 122.92 1mwn n GLU 62 Ca 0.32 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 1mwn n GLU 62 Cb 0.27 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1mwn h ASP 63 N 0.00 0.15 0.00 1.62 3.32 -1.90 -3.47 116.42 116.14 1mwn h ASP 63 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1mwn h ASP 63 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1mwn h ASP 63 CO 0.00 1.11 0.00 0.61 -1.72 0.00 0.00 179.24 179.24 1mwn n GLY 64 N 1.38 0.55 0.17 2.75 0.00 -0.05 -4.86 105.19 105.13 1mwn n GLY 64 Ca -0.03 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 0.04 0.54 -1.71 1.61 5.75 -1.26 -4.87 116.55 116.66 1mwn n ASP 65 Ca 0.00 -1.20 -0.13 0.00 -0.01 0.00 0.00 54.79 53.45 1mwn n ASP 65 Cb 0.00 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.05 -0.11 3.13 6.12 0.00 -1.26 -5.00 105.19 109.11 1mwn n GLY 66 Ca 0.22 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.94 0.62 -0.10 1.61 2.02 -1.26 -2.94 118.70 113.71 1mwn s GLU 67 Ca 0.09 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1mwn s GLU 67 Cb -0.04 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.45 1mwn s GLU 67 CO 0.11 -0.16 -0.08 0.00 0.02 0.00 0.00 175.26 175.15 1mwn s ASP 69 N 1.46 4.93 0.22 0.00 1.01 -1.26 -1.17 116.67 121.86 1mwn s ASP 69 Ca 0.00 0.36 -0.11 0.00 0.71 0.00 0.00 52.55 53.52 1mwn s ASP 69 Cb -0.13 -1.07 0.31 0.00 1.01 0.00 0.00 42.92 43.04 1mwn s ASP 69 CO -0.05 -1.49 1.65 -0.26 0.21 0.00 0.00 175.17 175.22 1mwn h PHE 70 N -0.45 -0.12 -0.91 4.23 -1.00 -1.97 0.46 116.94 117.18 1mwn h PHE 70 Ca -0.44 0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.40 1mwn h PHE 70 Cb 1.31 0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.98 1mwn h PHE 70 CO 0.35 -0.21 0.60 -0.56 -1.61 0.00 0.00 178.31 176.88 1mwn h GLN 71 N 0.08 1.20 -0.54 1.51 -0.00 -1.97 0.18 115.11 115.56 1mwn h GLN 71 Ca 0.34 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.83 1mwn h GLN 71 Cb 0.55 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.48 27.74 1mwn h GLN 71 CO -0.59 0.79 0.01 0.93 -0.00 0.00 0.00 178.83 179.97 1mwn h GLU 72 N 1.23 0.95 -0.73 0.06 5.08 -0.65 -0.59 114.58 119.94 1mwn h GLU 72 Ca 0.33 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1mwn h GLU 72 Cb -0.14 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 1mwn h GLU 72 CO -0.07 0.95 0.24 0.35 -1.00 0.00 0.00 179.01 179.48 1mwn h PHE 73 N 0.83 1.14 -0.85 4.33 3.57 0.45 -1.16 116.94 125.24 1mwn h PHE 73 Ca 0.15 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1mwn h PHE 73 Cb 0.52 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1mwn h PHE 73 CO 0.04 0.89 0.56 0.52 -2.23 0.00 0.00 178.31 178.09 1mwn h MET 74 N 1.07 1.13 -0.05 1.11 2.86 -0.17 -0.36 114.93 120.52 1mwn h MET 74 Ca 0.24 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1mwn h MET 74 Cb 0.27 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1mwn h MET 74 CO -0.01 0.75 -0.22 0.00 1.06 0.00 0.00 176.91 178.49 1mwn h ALA 75 N 1.46 1.55 -0.67 6.32 0.00 0.08 -2.61 119.26 125.38 1mwn h ALA 75 Ca 0.31 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1mwn h ALA 75 Cb -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1mwn h ALA 75 CO -0.07 0.33 0.45 0.35 0.00 0.00 0.00 179.25 180.31 1mwn h PHE 76 N 0.08 0.85 -0.90 0.00 3.57 -0.31 -1.70 116.94 118.52 1mwn h PHE 76 Ca 0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1mwn h PHE 76 Cb 0.43 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1mwn h PHE 76 CO 0.00 0.53 0.60 0.28 -2.23 0.00 0.00 178.31 177.49 1mwn h VAL 77 N 0.91 1.23 -0.96 1.41 2.07 -1.35 -1.73 116.25 117.83 1mwn h VAL 77 Ca 0.25 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1mwn h VAL 77 Cb -0.11 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.52 1mwn h VAL 77 CO -0.05 0.22 0.64 -1.28 0.02 0.00 0.00 177.57 177.12 1mwn h SER 78 N 1.22 1.11 -0.32 0.57 0.87 -1.23 1.40 113.55 117.16 1mwn h SER 78 Ca 0.33 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1mwn h SER 78 Cb -0.14 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.53 1mwn h SER 78 CO -0.07 0.81 -0.01 0.24 -0.53 0.00 0.00 176.83 177.26 1mwn h MET 79 N 1.31 0.58 0.00 2.24 2.07 -0.55 0.35 114.93 120.93 1mwn h MET 79 Ca 0.35 -0.19 -0.22 0.00 -2.07 0.00 0.00 59.70 57.57 1mwn h MET 79 Cb -0.15 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.50 1mwn h MET 79 CO -0.08 0.72 -1.05 0.28 1.07 0.00 0.00 176.91 177.86 1mwn h VAL 80 N 0.38 1.66 -0.65 -2.22 2.07 -1.05 -2.33 116.25 114.11 1mwn h VAL 80 Ca 0.09 -3.38 -0.09 0.00 0.82 0.00 0.00 66.70 64.14 1mwn h VAL 80 Cb 0.47 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1mwn h VAL 80 CO 0.02 0.95 0.05 0.74 0.02 0.00 0.00 177.57 179.35 1mwn h THR 81 N 0.00 1.27 -0.37 2.57 2.02 0.20 0.25 112.91 118.84 1mwn h THR 81 Ca -0.03 -1.10 -0.16 0.00 0.77 0.00 0.00 66.41 65.88 1mwn h THR 81 Cb 1.79 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1mwn h THR 81 CO 0.13 0.41 -0.41 0.71 0.37 0.00 0.00 175.52 176.73 1mwn h THR 82 N 1.02 1.27 -0.41 3.16 1.35 -0.93 0.13 112.91 118.50 1mwn h THR 82 Ca 0.19 -1.58 -0.13 0.00 -0.55 0.00 0.00 66.41 64.33 1mwn h THR 82 Cb 0.51 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1mwn h THR 82 CO 0.02 0.53 -0.26 0.00 -0.25 0.00 0.00 175.52 175.56 1mwn h ALA 83 N 0.76 0.59 -0.40 6.62 0.00 -1.11 -2.03 119.26 123.70 1mwn h ALA 83 Ca 0.06 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1mwn h ALA 83 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1mwn h ALA 83 CO 0.10 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.58 1mwn h HIS 85 N 0.78 1.21 -0.96 0.00 6.17 -0.61 -2.22 115.15 119.52 1mwn h HIS 85 Ca 0.07 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.17 1mwn h HIS 85 Cb 0.97 -0.41 -0.05 0.00 2.52 0.00 0.00 27.41 30.45 1mwn h HIS 85 CO 0.06 0.76 0.59 0.93 0.71 0.00 0.00 177.93 180.98 1mwn h GLU 86 N 1.30 1.30 -6.15 5.26 4.39 -1.24 -3.38 114.58 116.06 1mwn h GLU 86 Ca 0.35 -0.11 -0.56 0.00 0.34 0.00 0.00 59.36 59.38 1mwn h GLU 86 Cb -0.15 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.20 1mwn h GLU 86 CO -0.08 0.90 1.33 0.12 -1.16 0.00 0.00 179.01 180.13 1mwn s PHE 87 N -5.98 1.68 -0.22 4.33 5.36 -0.83 -4.88 117.98 117.42 1mwn s PHE 87 Ca -0.13 0.71 -0.28 0.00 -0.96 0.00 0.00 56.93 56.27 1mwn s PHE 87 Cb 0.17 -4.07 0.14 0.00 -0.34 0.00 0.00 43.02 38.93 1mwn s PHE 87 CO 0.82 -2.90 1.09 0.12 -1.46 0.00 0.00 175.22 172.89 1mwn s PHE 88 N 7.78 -0.33 -0.43 10.12 2.19 -1.26 -4.98 117.98 131.07 1mwn s PHE 88 Ca 0.80 0.67 -0.16 0.00 0.33 0.00 0.00 56.93 58.58 1mwn s PHE 88 Cb -0.21 0.43 0.03 0.00 -1.31 0.00 0.00 43.02 41.97 1mwn s PHE 88 CO 0.31 -0.25 0.38 -1.21 1.83 0.00 0.00 175.22 176.28 1mwn s GLU 89 N -0.62 3.01 0.20 10.12 2.02 -1.26 -4.93 118.70 127.25 1mwn s GLU 89 Ca 0.02 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 53.92 1mwn s GLU 89 Cb -0.02 -4.01 0.13 0.00 0.10 0.00 0.00 34.13 30.32 1mwn s GLU 89 CO -0.03 -0.86 1.73 0.45 0.02 0.00 0.00 175.26 176.57 1mwn h HIS 90 N 8.70 1.21 -0.01 1.61 3.86 -2.00 -3.57 115.15 124.96 1mwn h HIS 90 Ca -0.27 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1mwn h HIS 90 Cb 1.11 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1mwn h HIS 90 CO 0.60 0.96 0.00 0.39 0.86 0.00 0.00 177.93 180.74