#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 1.16 0.00 4.33 4.81 -2.06 -1.91 114.58 120.91 1mwn h GLU 2 Ca 0.00 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1mwn h GLU 2 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1mwn h GLU 2 CO 0.00 0.94 -0.08 1.25 -0.73 0.00 0.00 179.01 180.38 1mwn h LEU 3 N 1.13 0.00 -0.00 1.64 6.46 -2.05 -2.94 115.31 119.55 1mwn h LEU 3 Ca 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1mwn h LEU 3 Cb 0.22 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1mwn h LEU 3 CO -0.02 0.08 0.00 -0.08 -0.62 0.00 0.00 178.44 177.80 1mwn h GLU 4 N 0.00 0.00 -0.41 1.25 4.81 -1.78 0.21 114.58 118.66 1mwn h GLU 4 Ca -0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1mwn h GLU 4 Cb 0.19 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1mwn h GLU 4 CO 0.01 0.00 -0.31 1.57 -0.73 0.00 0.00 179.01 179.55 1mwn h LYS 5 N 0.00 0.90 -0.67 1.92 2.10 -1.61 -2.91 116.57 116.31 1mwn h LYS 5 Ca 0.00 -0.43 -0.05 0.00 -2.00 0.00 0.00 60.65 58.17 1mwn h LYS 5 Cb 0.00 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 1mwn h LYS 5 CO -0.00 1.08 0.22 0.00 -2.00 0.00 0.00 179.45 178.75 1mwn h ALA 6 N 0.88 0.87 -0.73 0.07 0.00 -1.33 -1.88 119.26 117.14 1mwn h ALA 6 Ca 0.08 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mwn h ALA 6 Cb 0.88 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1mwn h ALA 6 CO 0.08 0.54 0.49 1.98 0.00 0.00 0.00 179.25 182.33 1mwn h MET 7 N 0.96 0.96 -1.01 0.00 1.85 -0.49 -0.49 114.93 116.72 1mwn h MET 7 Ca 0.22 -0.06 0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1mwn h MET 7 Cb 0.28 -0.22 -0.05 0.00 0.43 0.00 0.00 31.60 32.05 1mwn h MET 7 CO -0.01 0.64 0.67 0.28 -0.40 0.00 0.00 176.91 178.09 1mwn h VAL 8 N 0.99 1.26 -0.41 -5.77 2.07 -1.28 -1.41 116.25 111.69 1mwn h VAL 8 Ca 0.27 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mwn h VAL 8 Cb -0.11 -0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.41 1mwn h VAL 8 CO -0.06 0.25 0.21 0.00 0.02 0.00 0.00 177.57 177.99 1mwn h ALA 9 N 1.37 0.53 -0.85 1.67 0.00 -0.40 -0.56 119.26 121.03 1mwn h ALA 9 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1mwn h ALA 9 Cb -0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1mwn h ALA 9 CO -0.08 0.08 0.45 -0.07 0.00 0.00 0.00 179.25 179.63 1mwn h LEU 10 N 0.53 1.08 -0.31 0.00 3.38 -0.44 0.30 115.31 119.86 1mwn h LEU 10 Ca 0.14 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1mwn h LEU 10 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1mwn h LEU 10 CO -0.02 0.89 0.01 0.40 0.09 0.00 0.00 178.44 179.80 1mwn h ILE 11 N 1.20 1.26 -0.37 1.22 2.04 -0.91 -2.45 117.51 119.50 1mwn h ILE 11 Ca 0.30 -0.93 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 1mwn h ILE 11 Cb 0.06 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1mwn h ILE 11 CO -0.04 0.30 -0.41 -0.78 0.00 0.00 0.00 178.15 177.22 1mwn h ASP 12 N 0.34 1.00 -0.54 1.72 1.82 -0.80 -2.81 116.42 117.16 1mwn h ASP 12 Ca 0.09 -0.48 0.06 0.00 -0.39 0.00 0.00 57.03 56.31 1mwn h ASP 12 Cb 0.43 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 1mwn h ASP 12 CO 0.01 1.28 0.36 0.58 -1.61 0.00 0.00 179.24 179.86 1mwn h VAL 13 N 0.75 1.00 -0.29 2.25 2.07 -0.35 -0.39 116.25 121.29 1mwn h VAL 13 Ca 0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1mwn h VAL 13 Cb 1.01 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1mwn h VAL 13 CO 0.10 0.09 0.19 0.15 0.02 0.00 0.00 177.57 178.12 1mwn h PHE 14 N 0.51 0.36 -0.29 1.57 3.57 -1.17 -2.95 116.94 118.55 1mwn h PHE 14 Ca 0.23 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1mwn h PHE 14 Cb 0.26 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1mwn h PHE 14 CO -0.00 0.23 -0.44 1.25 -2.23 0.00 0.00 178.31 177.11 1mwn h HIS 15 N 0.39 0.89 -0.80 0.41 2.76 -1.11 -1.38 115.15 116.29 1mwn h HIS 15 Ca 0.11 -0.28 0.01 0.00 -2.20 0.00 0.00 60.37 58.01 1mwn h HIS 15 Cb -0.04 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 1mwn h HIS 15 CO -0.06 1.04 0.53 1.96 -1.30 0.00 0.00 177.93 180.11 1mwn h GLN 16 N 0.59 1.06 0.02 5.26 4.20 -0.96 -2.62 115.11 122.65 1mwn h GLN 16 Ca 0.04 -0.06 -0.35 0.00 0.06 0.00 0.00 58.65 58.33 1mwn h GLN 16 Cb 1.00 -0.24 -0.06 0.00 0.30 0.00 0.00 27.48 28.48 1mwn h GLN 16 CO 0.09 0.70 -2.19 0.66 -0.67 0.00 0.00 178.83 177.43 1mwn n TYR 17 N -4.53 0.43 -0.36 2.96 4.02 -1.16 -4.09 117.16 114.43 1mwn n TYR 17 Ca 0.08 0.13 -0.03 0.00 -0.01 0.00 0.00 57.90 58.07 1mwn n TYR 17 Cb 0.02 -1.07 0.10 0.00 -0.02 0.00 0.00 39.34 38.37 1mwn n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1mwn h SER 18 N 0.01 1.15 0.00 7.72 4.64 -1.29 0.52 113.55 126.30 1mwn h SER 18 Ca -0.47 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1mwn h SER 18 Cb 2.08 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1mwn h SER 18 CO 0.02 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 1mwn n GLY 19 N -1.29 -0.96 0.12 -0.77 0.00 -0.99 -3.80 105.19 97.50 1mwn n GLY 19 Ca 0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1mwn n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1mwn h ARG 20 N 0.00 0.33 -3.71 1.61 9.65 -1.03 -3.46 114.38 117.77 1mwn h ARG 20 Ca 0.00 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 1mwn h ARG 20 Cb 0.00 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 28.39 1mwn h ARG 20 CO 0.00 0.22 -0.21 -1.21 2.80 0.00 0.00 179.97 181.57 1mwn s GLU 21 N -6.17 1.23 1.53 0.20 2.02 -1.25 -5.12 118.70 111.14 1mwn s GLU 21 Ca -0.13 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1mwn s GLU 21 Cb 0.09 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1mwn s GLU 21 CO 0.70 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.92 1mwn n GLY 22 N -0.25 0.79 3.79 -1.39 0.00 -1.26 -4.54 105.19 102.33 1mwn n GLY 22 Ca -0.08 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 7.15 0.00 1.61 1.01 -1.26 -4.90 116.67 116.27 1mwn s ASP 23 Ca 0.00 1.81 0.29 0.00 0.71 0.00 0.00 52.55 55.36 1mwn s ASP 23 Cb 0.00 -2.57 1.29 0.00 1.01 0.00 0.00 42.92 42.66 1mwn s ASP 23 CO 0.00 -0.21 1.95 2.29 0.21 0.00 0.00 175.17 179.41 1mwn n LYS 24 N 0.11 0.09 0.19 8.23 2.85 -1.25 -3.48 118.16 124.89 1mwn n LYS 24 Ca 0.04 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.36 1mwn n LYS 24 Cb 0.51 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.70 1mwn n LYS 24 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1mwn h HIS 25 N 0.00 0.00 -3.72 5.58 3.86 -1.92 -3.45 115.15 115.50 1mwn h HIS 25 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 1mwn h HIS 25 Cb 0.45 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.74 1mwn h HIS 25 CO 0.00 0.37 -0.75 -1.59 0.86 0.00 0.00 177.93 176.82 1mwn s LYS 26 N -3.52 0.89 -0.15 2.45 -2.85 -1.23 -4.51 119.74 110.82 1mwn s LYS 26 Ca 0.01 -1.13 -0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1mwn s LYS 26 Cb 0.10 -0.71 -0.01 0.00 -2.06 0.00 0.00 37.83 35.16 1mwn s LYS 26 CO 0.69 0.13 -0.14 -0.51 0.10 0.00 0.00 175.35 175.62 1mwn s LEU 27 N -2.29 2.58 0.16 2.77 1.43 -0.51 -4.74 118.68 118.09 1mwn s LEU 27 Ca 0.05 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1mwn s LEU 27 Cb -0.05 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 1mwn s LEU 27 CO 0.02 0.10 0.36 -0.75 0.23 0.00 0.00 176.35 176.31 1mwn s LYS 28 N 0.73 3.55 0.22 1.70 2.20 -1.26 0.95 119.74 127.83 1mwn s LYS 28 Ca -0.06 -0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.24 1mwn s LYS 28 Cb -0.15 -2.87 0.36 0.00 -1.51 0.00 0.00 37.83 33.66 1mwn s LYS 28 CO 0.01 0.45 1.19 1.17 -0.36 0.00 0.00 175.35 177.82 1mwn n LYS 29 N -0.25 -0.07 -0.34 4.03 4.81 -1.22 0.18 118.16 125.30 1mwn n LYS 29 Ca -0.04 1.19 -0.03 0.00 -0.87 0.00 0.00 58.31 58.56 1mwn n LYS 29 Cb 0.53 -1.78 0.09 0.00 0.02 0.00 0.00 35.03 33.88 1mwn n LYS 29 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1mwn h SER 30 N 0.00 1.10 -0.37 3.14 0.02 -1.93 0.01 113.55 115.51 1mwn h SER 30 Ca 0.37 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 61.09 1mwn h SER 30 Cb 0.57 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1mwn h SER 30 CO -0.78 0.84 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.00 1mwn h GLU 31 N 1.26 0.94 -0.70 3.45 5.08 0.14 -2.97 114.58 121.78 1mwn h GLU 31 Ca 0.33 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1mwn h GLU 31 Cb -0.07 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1mwn h GLU 31 CO -0.06 1.17 0.15 1.25 -1.00 0.00 0.00 179.01 180.51 1mwn h LEU 32 N 0.76 1.08 -0.96 1.33 5.85 -0.62 -2.24 115.31 120.51 1mwn h LEU 32 Ca 0.05 -0.25 0.23 0.00 0.84 0.00 0.00 57.88 58.75 1mwn h LEU 32 Cb 1.01 -0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.64 1mwn h LEU 32 CO 0.10 1.05 0.53 0.50 -0.34 0.00 0.00 178.44 180.28 1mwn h LYS 33 N 1.07 0.54 -0.80 1.25 3.64 -0.84 1.43 116.57 122.86 1mwn h LYS 33 Ca 0.22 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1mwn h LYS 33 Cb 0.41 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1mwn h LYS 33 CO 0.01 0.36 0.39 1.49 -2.27 0.00 0.00 179.45 179.43 1mwn h GLU 34 N 0.55 1.15 -0.23 1.90 4.57 -1.35 0.63 114.58 121.80 1mwn h GLU 34 Ca 0.60 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1mwn h GLU 34 Cb 1.11 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1mwn h GLU 34 CO -0.47 0.88 0.15 1.25 -1.18 0.00 0.00 179.01 179.64 1mwn h LEU 35 N 1.13 0.27 -0.03 1.64 7.12 0.19 0.30 115.31 125.92 1mwn h LEU 35 Ca 0.28 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.25 1mwn h LEU 35 Cb 0.11 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1mwn h LEU 35 CO -0.04 0.20 -0.08 0.40 -0.13 0.00 0.00 178.44 178.79 1mwn h ILE 36 N 0.31 1.45 0.00 4.05 1.08 0.31 -2.07 117.51 122.65 1mwn h ILE 36 Ca 0.08 -1.46 -0.02 0.00 -0.39 0.00 0.00 64.86 63.08 1mwn h ILE 36 Cb -0.03 2.35 -0.00 0.00 -3.07 0.00 0.00 36.82 36.06 1mwn h ILE 36 CO -0.02 0.39 -0.10 -0.55 -0.69 0.00 0.00 178.15 177.19 1mwn h ASN 37 N -0.44 0.00 0.00 1.72 7.08 0.26 -1.81 115.58 122.39 1mwn h ASN 37 Ca -0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 1mwn h ASN 37 Cb 0.68 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.89 1mwn h ASN 37 CO 0.02 0.10 -1.23 -3.20 -2.08 0.00 0.00 177.43 171.03 1mwn n ASN 38 N -3.17 1.86 0.07 6.14 4.05 0.10 -3.63 115.26 120.69 1mwn n ASN 38 Ca 0.02 0.45 -0.23 0.00 0.45 0.00 0.00 54.58 55.27 1mwn n ASN 38 Cb 0.45 -0.93 -0.15 0.00 1.23 0.00 0.00 39.78 40.38 1mwn n ASN 38 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1mwn h GLU 39 N -1.00 0.40 -0.79 1.20 5.08 -1.50 -3.33 114.58 114.64 1mwn h GLU 39 Ca -0.31 -0.68 -0.21 0.00 -1.00 0.00 0.00 59.36 57.16 1mwn h GLU 39 Cb 1.18 0.25 -0.13 0.00 0.50 0.00 0.00 28.75 30.56 1mwn h GLU 39 CO -0.19 1.32 0.27 1.28 -1.00 0.00 0.00 179.01 180.69 1mwn n LEU 40 N -3.59 5.76 0.00 1.33 7.99 -0.70 -4.77 117.00 123.01 1mwn n LEU 40 Ca -0.25 -3.00 0.00 0.00 -0.01 0.00 0.00 56.01 52.75 1mwn n LEU 40 Cb 1.08 -0.73 0.00 0.00 -0.11 0.00 0.00 43.42 43.66 1mwn n LEU 40 CO 0.51 0.77 0.00 -1.20 -1.51 0.00 0.00 177.39 175.96 1mwn n SER 41 N -0.13 0.00 -0.14 -1.43 7.64 -1.09 -1.84 113.62 116.63 1mwn n SER 41 Ca 0.38 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.37 1mwn n SER 41 Cb 1.31 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 64.53 1mwn n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1mwn n HIS 42 N 0.00 0.00 -0.17 1.43 -0.00 -1.26 -1.22 115.22 114.00 1mwn n HIS 42 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 1mwn n HIS 42 Cb 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 29.99 30.01 1mwn n HIS 42 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1mwn h PHE 43 N 0.71 1.04 0.00 1.57 0.04 -1.86 -3.42 116.94 115.02 1mwn h PHE 43 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1mwn h PHE 43 Cb 0.56 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1mwn h PHE 43 CO 0.00 0.93 -0.19 -0.11 -0.60 0.00 0.00 178.31 178.34 1mwn n LEU 44 N -4.19 0.49 -3.71 1.54 7.94 -1.25 -5.08 117.00 112.73 1mwn n LEU 44 Ca 0.03 0.19 -0.15 0.00 -1.11 0.00 0.00 56.01 54.97 1mwn n LEU 44 Cb 0.33 -0.06 -0.15 0.00 0.53 0.00 0.00 43.42 44.07 1mwn n LEU 44 CO 0.43 -0.60 -0.24 -0.70 -1.11 0.00 0.00 177.39 175.17 1mwn s GLU 45 N -2.00 0.05 -0.26 1.96 -6.30 -0.76 -5.06 118.70 106.33 1mwn s GLU 45 Ca 0.00 0.45 -0.20 0.00 -2.50 0.00 0.00 54.97 52.72 1mwn s GLU 45 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 34.13 33.87 1mwn s GLU 45 CO 0.00 -0.24 0.61 -2.00 0.02 0.00 0.00 175.26 173.66 1mwn s GLU 46 N 1.72 4.10 -0.25 4.30 2.12 -0.36 -4.02 118.70 126.31 1mwn s GLU 46 Ca -0.03 0.51 -0.21 0.00 0.36 0.00 0.00 54.97 55.60 1mwn s GLU 46 Cb -0.12 -3.65 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 1mwn s GLU 46 CO -0.06 -0.41 0.67 0.42 -0.54 0.00 0.00 175.26 175.34 1mwn s ILE 47 N 2.48 4.96 0.00 -3.70 -1.09 -1.26 -4.82 121.20 117.76 1mwn s ILE 47 Ca 0.25 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.89 1mwn s ILE 47 Cb -0.15 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1mwn s ILE 47 CO 0.09 0.01 0.00 2.29 -1.23 0.00 0.00 174.94 176.10 1mwn n LYS 48 N 5.76 2.39 -4.64 2.79 -0.00 -1.26 -4.97 118.16 118.23 1mwn n LYS 48 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.04 1mwn n LYS 48 Cb 0.49 -0.77 -0.14 0.00 -0.00 0.00 0.00 35.03 34.60 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 -1.21 1.52 0.55 -1.58 0.41 -1.26 -5.00 118.70 112.13 1mwn s GLU 49 Ca 0.00 -1.13 0.34 0.00 -0.41 0.00 0.00 54.97 53.76 1mwn s GLU 49 Cb 0.00 -1.78 1.39 0.00 -1.78 0.00 0.00 34.13 31.97 1mwn s GLU 49 CO 0.00 0.44 1.99 -0.56 -0.49 0.00 0.00 175.26 176.65 1mwn h GLN 50 N 4.50 0.00 -0.82 1.61 3.07 -1.99 -2.99 115.11 118.49 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 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.68 1mwn h GLN 50 CO 0.42 0.00 0.54 1.05 0.09 0.00 0.00 178.83 180.93 1mwn h GLU 51 N 0.00 1.08 0.01 0.06 4.11 -1.97 1.95 114.58 119.82 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 0.50 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1mwn h GLU 51 CO 0.00 0.72 -0.00 0.28 0.07 0.00 0.00 179.01 180.07 1mwn h VAL 52 N 1.11 1.04 -0.19 -1.06 2.07 -1.95 0.50 116.25 117.78 1mwn h VAL 52 Ca 0.30 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1mwn h VAL 52 Cb -0.13 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1mwn h VAL 52 CO -0.06 0.04 0.11 0.58 0.02 0.00 0.00 177.57 178.26 1mwn h VAL 53 N -0.07 1.09 -0.57 2.57 2.07 -1.46 1.11 116.25 120.99 1mwn h VAL 53 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1mwn h VAL 53 Cb 0.07 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1mwn h VAL 53 CO 0.00 0.08 0.36 -0.78 0.02 0.00 0.00 177.57 177.26 1mwn h ASP 54 N 0.22 0.66 -0.36 0.57 1.82 0.34 3.03 116.42 122.72 1mwn h ASP 54 Ca 0.07 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.51 1mwn h ASP 54 Cb 0.04 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 1mwn h ASP 54 CO -0.01 0.50 -0.41 0.11 -1.61 0.00 0.00 179.24 177.82 1mwn h LYS 55 N 0.77 0.92 -0.05 0.28 1.57 0.37 0.10 116.57 120.53 1mwn h LYS 55 Ca 0.21 -0.50 -0.18 0.00 -1.87 0.00 0.00 60.65 58.31 1mwn h LYS 55 Cb -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1mwn h LYS 55 CO -0.04 1.15 -0.74 0.28 -0.57 0.00 0.00 179.45 179.53 1mwn h VAL 56 N 0.74 1.41 -0.20 0.50 2.07 0.18 -2.17 116.25 118.79 1mwn h VAL 56 Ca 0.05 -2.24 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 1mwn h VAL 56 Cb 1.01 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1mwn h VAL 56 CO 0.10 0.66 -0.40 -0.03 0.02 0.00 0.00 177.57 177.92 1mwn h MET 57 N 0.20 0.63 -0.10 1.57 1.85 0.56 -2.57 114.93 117.06 1mwn h MET 57 Ca -0.03 -0.41 -0.02 0.00 -0.61 0.00 0.00 59.70 58.64 1mwn h MET 57 Cb 1.31 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.39 1mwn h MET 57 CO 0.12 1.02 -0.01 1.49 -0.40 0.00 0.00 176.91 179.14 1mwn h GLU 58 N 0.32 0.15 0.00 0.39 4.81 -0.76 2.97 114.58 122.45 1mwn h GLU 58 Ca 0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1mwn h GLU 58 Cb 1.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1mwn h GLU 58 CO 0.09 0.17 -0.19 1.15 -0.73 0.00 0.00 179.01 179.50 1mwn h THR 59 N 0.15 1.04 0.00 0.32 2.02 -0.98 -3.24 112.91 112.22 1mwn h THR 59 Ca 0.04 -0.67 -0.26 0.00 0.77 0.00 0.00 66.41 66.28 1mwn h THR 59 Cb 0.11 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 1mwn h THR 59 CO 0.00 0.19 -2.00 0.18 0.37 0.00 0.00 175.52 174.26 1mwn n LEU 60 N -4.18 2.93 -2.13 2.58 4.77 0.02 -4.53 117.00 116.47 1mwn n LEU 60 Ca -0.02 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.79 1mwn n LEU 60 Cb 0.26 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.61 1mwn n LEU 60 CO 0.35 0.78 1.32 -0.67 -1.33 0.00 0.00 177.39 177.85 1mwn n ASP 61 N -3.04 3.86 0.00 -1.43 2.03 0.97 -4.40 116.55 114.54 1mwn n ASP 61 Ca -0.31 -2.22 0.01 0.00 0.52 0.00 0.00 54.79 52.79 1mwn n ASP 61 Cb 0.83 -1.04 0.05 0.00 -0.72 0.00 0.00 41.12 40.23 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 2.63 0.39 0.03 -0.67 -0.58 -1.23 -0.62 120.64 120.59 1mwn n GLU 62 Ca 0.31 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.08 1mwn n GLU 62 Cb 0.68 -1.07 -0.08 0.00 -0.57 0.00 0.00 31.44 30.39 1mwn n GLU 62 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1mwn n ASP 63 N -0.57 0.67 0.00 1.62 8.00 -1.26 -4.94 116.55 120.07 1mwn n ASP 63 Ca 0.01 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.80 1mwn n ASP 63 Cb 0.01 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 1.36 0.69 0.88 0.44 0.00 0.21 -4.86 105.19 103.91 1mwn n GLY 64 Ca -0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 2.59 -2.22 1.61 5.75 -1.26 -4.90 116.55 118.11 1mwn n ASP 65 Ca 0.00 -1.92 -0.15 0.00 -0.01 0.00 0.00 54.79 52.71 1mwn n ASP 65 Cb 0.00 -0.26 0.03 0.00 -1.03 0.00 0.00 41.12 39.86 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 1.30 -0.06 3.13 6.12 0.00 -1.26 -5.01 105.19 109.41 1mwn n GLY 66 Ca 0.17 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.51 0.62 -0.11 1.61 2.02 -1.26 -3.40 118.70 112.67 1mwn s GLU 67 Ca 0.27 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 1mwn s GLU 67 Cb -0.12 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.39 1mwn s GLU 67 CO 0.34 -0.16 -0.04 0.00 0.02 0.00 0.00 175.26 175.41 1mwn s ASP 69 N 1.79 4.71 0.23 0.00 1.01 -1.26 -1.43 116.67 121.72 1mwn s ASP 69 Ca 0.04 0.38 -0.09 0.00 0.71 0.00 0.00 52.55 53.60 1mwn s ASP 69 Cb -0.13 -0.99 0.37 0.00 1.01 0.00 0.00 42.92 43.18 1mwn s ASP 69 CO -0.07 -1.66 1.64 0.15 0.21 0.00 0.00 175.17 175.44 1mwn h PHE 70 N -0.63 -0.07 -0.83 4.23 3.04 -1.96 0.62 116.94 121.34 1mwn h PHE 70 Ca -0.44 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.53 1mwn h PHE 70 Cb 1.31 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.92 1mwn h PHE 70 CO 0.23 -0.22 0.37 1.96 -2.02 0.00 0.00 178.31 178.63 1mwn h GLN 71 N 0.10 1.22 -0.32 1.11 4.20 -1.97 0.60 115.11 120.05 1mwn h GLN 71 Ca 0.37 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1mwn h GLN 71 Cb 0.63 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1mwn h GLN 71 CO -0.62 0.96 -0.35 0.93 -0.67 0.00 0.00 178.83 179.08 1mwn h GLU 72 N 1.20 0.80 -0.28 1.46 5.08 -0.75 -1.78 114.58 120.31 1mwn h GLU 72 Ca 0.28 -0.43 -0.15 0.00 -1.00 0.00 0.00 59.36 58.06 1mwn h GLU 72 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1mwn h GLU 72 CO -0.03 1.06 -0.43 0.35 -1.00 0.00 0.00 179.01 178.97 1mwn h PHE 73 N 0.57 0.84 -0.25 4.33 3.57 0.29 -2.40 116.94 123.89 1mwn h PHE 73 Ca 0.05 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1mwn h PHE 73 Cb 0.93 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1mwn h PHE 73 CO 0.07 1.00 0.16 1.98 -2.23 0.00 0.00 178.31 179.30 1mwn h MET 74 N 0.56 0.33 0.00 1.11 4.05 0.36 0.10 114.93 121.44 1mwn h MET 74 Ca 0.04 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1mwn h MET 74 Cb 0.97 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1mwn h MET 74 CO 0.09 0.22 -0.27 0.00 0.23 0.00 0.00 176.91 177.17 1mwn h ALA 75 N 1.84 1.18 -0.98 0.39 0.00 -0.80 -2.51 119.26 118.39 1mwn h ALA 75 Ca 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1mwn h ALA 75 Cb -0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1mwn h ALA 75 CO -0.02 0.34 0.65 0.35 0.00 0.00 0.00 179.25 180.57 1mwn h PHE 76 N 0.00 1.23 -0.15 0.00 3.57 -0.69 0.63 116.94 121.52 1mwn h PHE 76 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1mwn h PHE 76 Cb 0.65 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1mwn h PHE 76 CO 0.00 0.77 0.04 0.28 -2.23 0.00 0.00 178.31 177.18 1mwn h VAL 77 N 1.33 1.19 -0.11 1.41 2.07 -1.45 0.15 116.25 120.82 1mwn h VAL 77 Ca 0.36 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1mwn h VAL 77 Cb -0.15 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1mwn h VAL 77 CO -0.08 0.17 0.08 0.77 0.02 0.00 0.00 177.57 178.53 1mwn h SER 78 N 0.06 0.13 -0.63 0.57 4.64 -1.13 2.08 113.55 119.26 1mwn h SER 78 Ca 0.05 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1mwn h SER 78 Cb 0.23 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1mwn h SER 78 CO -0.00 0.10 0.24 -0.03 -0.87 0.00 0.00 176.83 176.27 1mwn h MET 79 N 0.15 0.94 0.00 4.77 -1.53 0.33 -0.59 114.93 119.00 1mwn h MET 79 Ca 0.04 -0.18 -0.21 0.00 -3.44 0.00 0.00 59.70 55.91 1mwn h MET 79 Cb -0.01 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 30.85 1mwn h MET 79 CO -0.01 0.80 -1.05 0.28 0.14 0.00 0.00 176.91 177.08 1mwn h VAL 80 N 0.88 1.56 -0.66 -5.77 2.07 -0.71 -2.72 116.25 110.90 1mwn h VAL 80 Ca 0.21 -3.26 -0.09 0.00 0.82 0.00 0.00 66.70 64.38 1mwn h VAL 80 Cb 0.22 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1mwn h VAL 80 CO -0.02 0.89 0.08 0.74 0.02 0.00 0.00 177.57 179.29 1mwn h THR 81 N 0.00 1.27 -0.35 2.57 2.02 0.36 -2.57 112.91 116.21 1mwn h THR 81 Ca -0.04 -1.08 -0.17 0.00 0.77 0.00 0.00 66.41 65.90 1mwn h THR 81 Cb 1.77 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1mwn h THR 81 CO 0.12 0.40 -0.43 0.71 0.37 0.00 0.00 175.52 176.69 1mwn h THR 82 N 1.04 1.27 -0.43 3.16 1.35 -1.15 -2.42 112.91 115.74 1mwn h THR 82 Ca 0.20 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1mwn h THR 82 Cb 0.48 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1mwn h THR 82 CO 0.02 0.53 0.28 0.00 -0.25 0.00 0.00 175.52 176.11 1mwn h ALA 83 N 0.78 0.54 -0.32 6.62 0.00 -1.23 0.68 119.26 126.33 1mwn h ALA 83 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1mwn h ALA 83 Cb 1.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1mwn h ALA 83 CO 0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 1mwn h HIS 85 N 0.38 1.21 0.00 0.00 6.17 -1.04 -1.14 115.15 120.74 1mwn h HIS 85 Ca 0.09 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1mwn h HIS 85 Cb 0.51 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1mwn h HIS 85 CO 0.04 0.82 0.00 0.93 0.71 0.00 0.00 177.93 180.44 1mwn h GLU 86 N 1.24 0.00 -1.01 5.26 5.08 0.62 -3.12 114.58 122.64 1mwn h GLU 86 Ca 0.31 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1mwn h GLU 86 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1mwn h GLU 86 CO -0.05 0.00 0.67 0.35 -1.00 0.00 0.00 179.01 178.98 1mwn h PHE 87 N 0.00 1.27 -3.87 4.33 3.04 0.24 -3.40 116.94 118.55 1mwn h PHE 87 Ca 0.00 0.03 -0.52 0.00 3.98 0.00 0.00 57.97 61.46 1mwn h PHE 87 Cb 0.51 -0.43 0.06 0.00 2.56 0.00 0.00 35.95 38.65 1mwn h PHE 87 CO 0.00 0.79 0.61 0.12 -2.02 0.00 0.00 178.31 177.81 1mwn s PHE 88 N -6.12 3.15 -0.59 0.41 2.19 -1.18 -3.70 117.98 112.15 1mwn s PHE 88 Ca -0.13 1.47 -0.12 0.00 0.33 0.00 0.00 56.93 58.48 1mwn s PHE 88 Cb 0.18 -3.60 0.02 0.00 -1.31 0.00 0.00 43.02 38.31 1mwn s PHE 88 CO 0.82 -1.59 0.64 -1.91 1.83 0.00 0.00 175.22 175.01 1mwn n GLU 89 N 0.88 -1.84 -0.38 10.12 2.13 -1.26 -4.85 120.64 125.43 1mwn n GLU 89 Ca -0.00 1.62 -0.02 0.00 0.66 0.00 0.00 57.16 59.42 1mwn n GLU 89 Cb 0.42 -4.70 0.11 0.00 0.27 0.00 0.00 31.44 27.54 1mwn n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1mwn h HIS 90 N 1.18 1.26 0.00 4.31 3.86 -1.77 -3.50 115.15 120.49 1mwn h HIS 90 Ca -0.17 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1mwn h HIS 90 Cb 1.12 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1mwn h HIS 90 CO 0.14 0.79 0.00 0.39 0.86 0.00 0.00 177.93 180.11