#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 1.00 -0.00 1.43 4.81 -2.06 -2.42 114.58 117.33 1mwn h GLU 2 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1mwn h GLU 2 Cb 0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1mwn h GLU 2 CO 0.00 0.97 0.00 1.25 -0.73 0.00 0.00 179.01 180.50 1mwn h LEU 3 N 0.92 0.00 0.01 1.64 6.46 -2.05 -2.89 115.31 119.39 1mwn h LEU 3 Ca 0.17 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1mwn h LEU 3 Cb 0.50 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1mwn h LEU 3 CO 0.02 0.00 -0.01 -0.08 -0.62 0.00 0.00 178.44 177.76 1mwn h GLU 4 N 0.00 -0.01 -0.32 1.25 4.81 -1.88 0.41 114.58 118.84 1mwn h GLU 4 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1mwn h GLU 4 Cb 0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1mwn h GLU 4 CO -0.00 -0.01 -0.42 1.57 -0.73 0.00 0.00 179.01 179.42 1mwn h LYS 5 N -0.01 0.80 -1.00 1.92 2.10 -1.67 -3.04 116.57 115.66 1mwn h LYS 5 Ca -0.00 -0.43 0.01 0.00 -2.00 0.00 0.00 60.65 58.23 1mwn h LYS 5 Cb 0.01 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.31 1mwn h LYS 5 CO -0.00 1.06 0.66 0.00 -2.00 0.00 0.00 179.45 179.17 1mwn h ALA 6 N 0.88 1.28 -1.00 0.07 0.00 -1.35 -1.66 119.26 117.47 1mwn h ALA 6 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1mwn h ALA 6 Cb 0.99 -0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1mwn h ALA 6 CO 0.09 0.67 0.66 1.98 0.00 0.00 0.00 179.25 182.65 1mwn h MET 7 N 1.36 1.31 -0.96 0.00 1.85 -0.81 -0.62 114.93 117.06 1mwn h MET 7 Ca 0.37 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.38 1mwn h MET 7 Cb -0.15 -0.30 -0.05 0.00 0.43 0.00 0.00 31.60 31.54 1mwn h MET 7 CO -0.08 0.87 0.62 0.28 -0.40 0.00 0.00 176.91 178.20 1mwn h VAL 8 N 1.35 1.25 -0.35 -5.77 2.07 -1.28 -1.51 116.25 112.02 1mwn h VAL 8 Ca 0.37 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1mwn h VAL 8 Cb -0.15 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.46 1mwn h VAL 8 CO -0.08 0.25 0.06 0.00 0.02 0.00 0.00 177.57 177.82 1mwn h ALA 9 N 1.34 0.47 -0.92 1.67 0.00 -0.62 -0.93 119.26 120.27 1mwn h ALA 9 Ca 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1mwn h ALA 9 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1mwn h ALA 9 CO -0.07 0.17 0.53 -0.07 0.00 0.00 0.00 179.25 179.80 1mwn h LEU 10 N 0.42 1.13 -0.33 0.00 4.07 -0.69 0.42 115.31 120.33 1mwn h LEU 10 Ca 0.11 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 1mwn h LEU 10 Cb 0.35 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1mwn h LEU 10 CO 0.01 0.89 -0.18 0.40 -1.08 0.00 0.00 178.44 178.48 1mwn h ILE 11 N 1.28 1.29 -0.35 1.22 2.04 -1.08 -2.02 117.51 119.90 1mwn h ILE 11 Ca 0.33 -1.30 -0.17 0.00 1.00 0.00 0.00 64.86 64.71 1mwn h ILE 11 Cb -0.01 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1mwn h ILE 11 CO -0.06 0.42 -0.46 -0.78 0.00 0.00 0.00 178.15 177.28 1mwn h ASP 12 N 0.48 1.00 -0.52 1.72 1.82 -0.84 -2.77 116.42 117.31 1mwn h ASP 12 Ca 0.07 -0.49 0.04 0.00 -0.39 0.00 0.00 57.03 56.26 1mwn h ASP 12 Cb 0.72 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.42 1mwn h ASP 12 CO 0.05 1.30 0.35 0.58 -1.61 0.00 0.00 179.24 179.91 1mwn h VAL 13 N 0.73 1.04 -0.11 2.25 2.07 -0.10 0.12 116.25 122.25 1mwn h VAL 13 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1mwn h VAL 13 Cb 1.06 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1mwn h VAL 13 CO 0.11 0.10 0.07 0.15 0.02 0.00 0.00 177.57 178.02 1mwn h PHE 14 N 0.56 0.13 0.00 1.57 3.57 -1.06 -2.76 116.94 118.95 1mwn h PHE 14 Ca 0.21 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1mwn h PHE 14 Cb 0.16 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1mwn h PHE 14 CO -0.00 0.08 -0.33 0.45 -2.23 0.00 0.00 178.31 176.28 1mwn h HIS 15 N 0.15 0.00 -0.46 0.41 3.86 -1.33 -2.52 115.15 115.26 1mwn h HIS 15 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1mwn h HIS 15 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1mwn h HIS 15 CO -0.07 0.33 0.30 0.37 0.86 0.00 0.00 177.93 179.72 1mwn h GLN 16 N 0.00 0.60 0.00 2.45 4.15 -0.48 -3.12 115.11 118.72 1mwn h GLN 16 Ca -0.00 -0.04 -0.28 0.00 0.77 0.00 0.00 58.65 59.10 1mwn h GLN 16 Cb 1.19 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 1mwn h GLN 16 CO 0.04 0.40 -2.04 2.48 -1.93 0.00 0.00 178.83 177.78 1mwn n TYR 17 N -4.77 0.00 -0.38 3.99 0.18 -1.20 -4.41 117.16 110.58 1mwn n TYR 17 Ca 0.02 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.78 1mwn n TYR 17 Cb 0.02 -0.75 0.11 0.00 -0.38 0.00 0.00 39.34 38.34 1mwn n TYR 17 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1mwn h SER 18 N 0.00 1.16 -0.19 9.48 0.87 -1.56 -0.94 113.55 122.37 1mwn h SER 18 Ca -0.41 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1mwn h SER 18 Cb 1.92 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1mwn h SER 18 CO 0.02 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1mwn n GLY 19 N -1.37 0.43 0.31 5.77 0.00 -1.18 -4.05 105.19 105.10 1mwn n GLY 19 Ca 0.12 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1mwn n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mwn h ARG 20 N 1.16 1.09 -2.54 1.61 0.11 -1.37 -3.47 114.38 110.98 1mwn h ARG 20 Ca 0.00 -0.33 0.11 0.00 0.10 0.00 0.00 59.98 59.86 1mwn h ARG 20 Cb 0.43 -0.11 -0.10 0.00 1.11 0.00 0.00 29.97 31.30 1mwn h ARG 20 CO 0.03 1.05 0.40 -1.83 0.10 0.00 0.00 179.97 179.72 1mwn s GLU 21 N -5.08 1.20 2.79 0.08 -1.05 -1.26 -5.14 118.70 110.25 1mwn s GLU 21 Ca -0.12 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 1mwn s GLU 21 Cb 0.14 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 1mwn s GLU 21 CO 0.86 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1mwn n GLY 22 N -0.39 -0.05 3.66 -3.83 0.00 -1.26 -4.59 105.19 98.72 1mwn n GLY 22 Ca -0.08 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 7.06 0.48 1.61 -1.08 -1.26 -4.90 116.67 114.57 1mwn s ASP 23 Ca 0.00 1.32 0.17 0.00 -0.52 0.00 0.00 52.55 53.52 1mwn s ASP 23 Cb 0.00 -2.52 1.14 0.00 -1.46 0.00 0.00 42.92 40.08 1mwn s ASP 23 CO 0.00 -0.58 2.05 0.50 0.52 0.00 0.00 175.17 177.65 1mwn h LYS 24 N 7.42 0.00 0.00 4.34 3.64 -1.81 -1.50 116.57 128.66 1mwn h LYS 24 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1mwn h LYS 24 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1mwn h LYS 24 CO 0.93 0.13 0.00 0.45 -2.27 0.00 0.00 179.45 178.69 1mwn h HIS 25 N 0.00 0.00 -3.51 1.91 3.86 -1.90 -3.43 115.15 112.08 1mwn h HIS 25 Ca -0.00 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.80 1mwn h HIS 25 Cb 0.24 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.53 1mwn h HIS 25 CO 0.00 0.00 -0.75 0.15 0.86 0.00 0.00 177.93 178.19 1mwn s LYS 26 N -3.56 1.05 -0.10 2.45 1.02 -0.57 -4.50 119.74 115.55 1mwn s LYS 26 Ca 0.03 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 54.76 1mwn s LYS 26 Cb 0.08 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.48 1mwn s LYS 26 CO 0.57 0.17 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.45 1mwn s LEU 27 N -2.58 2.30 0.11 3.17 1.43 -0.49 -4.42 118.68 118.20 1mwn s LEU 27 Ca 0.11 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1mwn s LEU 27 Cb -0.04 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1mwn s LEU 27 CO 0.03 0.18 0.29 -0.75 0.23 0.00 0.00 176.35 176.34 1mwn s LYS 28 N 0.21 3.51 0.40 1.70 2.20 -1.26 0.12 119.74 126.61 1mwn s LYS 28 Ca -0.13 -0.33 0.25 0.00 -0.36 0.00 0.00 55.97 55.40 1mwn s LYS 28 Cb -0.16 -2.95 1.37 0.00 -1.51 0.00 0.00 37.83 34.58 1mwn s LYS 28 CO 0.07 0.53 1.59 1.57 -0.36 0.00 0.00 175.35 178.75 1mwn h LYS 29 N 2.79 0.05 -0.55 4.03 2.10 -1.93 1.31 116.57 124.36 1mwn h LYS 29 Ca -0.46 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1mwn h LYS 29 Cb 1.17 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1mwn h LYS 29 CO 0.73 0.03 0.11 0.66 -2.00 0.00 0.00 179.45 178.98 1mwn h SER 30 N 0.05 0.86 -0.38 7.07 4.64 -1.92 0.19 113.55 124.06 1mwn h SER 30 Ca 0.84 -0.25 -0.16 0.00 -0.47 0.00 0.00 61.79 61.75 1mwn h SER 30 Cb 2.39 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 64.25 1mwn h SER 30 CO -0.62 0.89 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.49 1mwn h GLU 31 N 0.79 0.94 -0.68 4.77 5.08 0.12 -2.91 114.58 122.70 1mwn h GLU 31 Ca 0.17 -0.51 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1mwn h GLU 31 Cb 0.38 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1mwn h GLU 31 CO 0.01 1.16 0.19 1.25 -1.00 0.00 0.00 179.01 180.62 1mwn h LEU 32 N 0.76 0.99 -1.01 1.33 5.85 -0.75 -1.66 115.31 120.82 1mwn h LEU 32 Ca 0.06 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1mwn h LEU 32 Cb 1.00 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1mwn h LEU 32 CO 0.10 0.94 0.66 0.50 -0.34 0.00 0.00 178.44 180.29 1mwn h LYS 33 N 1.01 1.22 -0.70 1.25 3.64 -0.84 0.12 116.57 122.27 1mwn h LYS 33 Ca 0.22 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1mwn h LYS 33 Cb 0.32 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1mwn h LYS 33 CO -0.00 0.80 0.29 1.49 -2.27 0.00 0.00 179.45 179.76 1mwn h GLU 34 N 1.25 1.04 -0.15 1.90 4.57 -1.17 0.24 114.58 122.25 1mwn h GLU 34 Ca 0.41 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1mwn h GLU 34 Cb 0.04 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1mwn h GLU 34 CO -0.14 0.86 0.10 1.25 -1.18 0.00 0.00 179.01 179.90 1mwn h LEU 35 N 0.99 0.18 -0.32 1.64 7.12 -0.04 1.52 115.31 126.40 1mwn h LEU 35 Ca 0.23 -0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.12 1mwn h LEU 35 Cb 0.20 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 1mwn h LEU 35 CO -0.02 0.13 -0.26 0.40 -0.13 0.00 0.00 178.44 178.56 1mwn h ILE 36 N 0.21 1.29 0.00 4.05 2.04 -0.53 -2.24 117.51 122.33 1mwn h ILE 36 Ca 0.06 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.42 1mwn h ILE 36 Cb -0.02 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1mwn h ILE 36 CO -0.01 0.46 -0.73 -1.13 0.00 0.00 0.00 178.15 176.74 1mwn h ASN 37 N 0.51 0.00 0.42 1.72 -0.73 -0.39 -2.95 115.58 114.16 1mwn h ASN 37 Ca 0.06 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.92 1mwn h ASN 37 Cb 0.83 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.39 1mwn h ASN 37 CO 0.07 0.33 -1.70 -1.13 -0.37 0.00 0.00 177.43 174.63 1mwn h ASN 38 N 0.00 0.20 0.53 1.15 -0.00 0.21 -3.16 115.58 114.52 1mwn h ASN 38 Ca -0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 56.30 55.88 1mwn h ASN 38 Cb 1.29 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 39.55 1mwn h ASN 38 CO 0.04 1.33 -0.96 -0.62 -0.00 0.00 0.00 177.43 177.22 1mwn n GLU 39 N -3.27 0.30 -2.74 6.67 -0.58 -0.84 -4.70 120.64 115.47 1mwn n GLU 39 Ca -0.20 0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.51 1mwn n GLU 39 Cb 1.04 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.02 -2.95 0.00 -4.62 -0.00 -1.11 -4.97 117.00 101.32 1mwn n LEU 40 Ca 0.02 -2.84 0.00 0.00 -0.00 0.00 0.00 56.01 53.19 1mwn n LEU 40 Cb 0.44 0.76 0.00 0.00 -0.00 0.00 0.00 43.42 44.62 1mwn n LEU 40 CO 0.39 1.88 0.00 -1.54 -0.00 0.00 0.00 177.39 178.12 1mwn n SER 41 N 2.32 0.00 0.01 1.45 3.41 -1.19 -4.21 113.62 115.41 1mwn n SER 41 Ca 0.13 0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.92 1mwn n SER 41 Cb 0.60 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.93 1mwn n SER 41 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1mwn h HIS 42 N 0.00 0.19 -1.00 7.33 3.86 -1.88 -2.53 115.15 121.12 1mwn h HIS 42 Ca 0.00 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1mwn h HIS 42 Cb 0.00 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1mwn h HIS 42 CO 0.00 1.24 0.66 0.74 0.86 0.00 0.00 177.93 181.43 1mwn h PHE 43 N 0.03 1.27 -2.00 2.45 0.04 -1.95 -3.44 116.94 113.33 1mwn h PHE 43 Ca -0.27 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 1mwn h PHE 43 Cb 1.99 -0.43 -0.21 0.00 2.20 0.00 0.00 35.95 39.51 1mwn h PHE 43 CO 0.03 0.80 0.14 -1.17 -0.60 0.00 0.00 178.31 177.51 1mwn s LEU 44 N -10.11 -0.73 -0.16 1.54 2.96 -1.26 -5.05 118.68 105.88 1mwn s LEU 44 Ca -0.13 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1mwn s LEU 44 Cb 0.18 2.48 0.01 0.00 0.50 0.00 0.00 46.19 49.35 1mwn s LEU 44 CO 0.82 -0.31 0.04 -0.62 -1.32 0.00 0.00 176.35 174.95 1mwn n GLU 45 N 2.38 -2.36 -3.52 1.98 1.02 -1.26 -3.86 120.64 115.01 1mwn n GLU 45 Ca -0.15 2.06 -0.37 0.00 -0.02 0.00 0.00 57.16 58.68 1mwn n GLU 45 Cb 0.55 -3.40 -0.06 0.00 -0.02 0.00 0.00 31.44 28.51 1mwn n GLU 45 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1mwn s GLU 46 N -1.12 4.01 -0.25 3.49 -1.05 -0.95 -4.13 118.70 118.70 1mwn s GLU 46 Ca -0.04 0.28 -0.02 0.00 -0.15 0.00 0.00 54.97 55.04 1mwn s GLU 46 Cb 0.00 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.42 1mwn s GLU 46 CO 0.44 0.51 -0.05 0.42 0.95 0.00 0.00 175.26 177.53 1mwn s ILE 47 N -0.44 2.90 0.00 1.83 -1.09 -1.26 -4.91 121.20 118.23 1mwn s ILE 47 Ca 0.21 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1mwn s ILE 47 Cb -0.15 -2.49 0.00 0.00 -1.58 0.00 0.00 42.46 38.24 1mwn s ILE 47 CO 0.10 0.17 0.00 0.29 -1.23 0.00 0.00 174.94 174.26 1mwn n LYS 48 N 4.67 3.90 -4.36 2.79 4.01 -1.26 -4.99 118.16 122.92 1mwn n LYS 48 Ca -0.16 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.42 1mwn n LYS 48 Cb 0.47 -0.64 -0.11 0.00 -0.51 0.00 0.00 35.03 34.24 1mwn n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1mwn s GLU 49 N -1.23 1.34 0.17 1.97 2.02 -1.26 -5.01 118.70 116.70 1mwn s GLU 49 Ca 0.00 -1.49 0.27 0.00 0.02 0.00 0.00 54.97 53.77 1mwn s GLU 49 Cb 0.00 -1.37 0.89 0.00 0.10 0.00 0.00 34.13 33.74 1mwn s GLU 49 CO 0.00 0.27 1.80 0.00 0.02 0.00 0.00 175.26 177.35 1mwn n GLN 50 N 0.07 0.21 -0.23 1.61 -0.00 -1.26 -3.56 117.38 114.22 1mwn n GLN 50 Ca -0.11 0.18 -0.08 0.00 -0.00 0.00 0.00 57.00 56.98 1mwn n GLN 50 Cb 0.58 -1.75 0.03 0.00 -0.00 0.00 0.00 30.24 29.10 1mwn n GLN 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 1mwn h GLU 51 N 0.00 1.07 -0.38 2.61 4.11 -1.98 1.11 114.58 121.13 1mwn h GLU 51 Ca 0.00 -0.28 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 1mwn h GLU 51 Cb 0.69 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1mwn h GLU 51 CO 0.00 0.98 0.20 0.28 0.07 0.00 0.00 179.01 180.55 1mwn h VAL 52 N 0.99 1.15 -0.06 -1.06 2.07 -1.98 0.31 116.25 117.67 1mwn h VAL 52 Ca 0.20 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1mwn h VAL 52 Cb 0.42 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mwn h VAL 52 CO 0.01 0.16 0.04 0.58 0.02 0.00 0.00 177.57 178.38 1mwn h VAL 53 N 0.49 1.02 -0.55 2.57 2.07 -1.56 1.21 116.25 121.50 1mwn h VAL 53 Ca 0.13 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1mwn h VAL 53 Cb 0.08 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1mwn h VAL 53 CO -0.02 0.02 0.29 0.44 0.02 0.00 0.00 177.57 178.31 1mwn h ASP 54 N 0.08 0.70 -0.37 0.57 5.19 0.18 2.76 116.42 125.53 1mwn h ASP 54 Ca 0.02 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.16 1mwn h ASP 54 Cb -0.01 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1mwn h ASP 54 CO -0.00 0.60 -0.41 0.50 -3.12 0.00 0.00 179.24 176.81 1mwn h LYS 55 N 0.73 0.93 -0.23 3.56 3.64 -0.07 0.72 116.57 125.86 1mwn h LYS 55 Ca 0.19 -0.50 -0.18 0.00 -1.27 0.00 0.00 60.65 58.88 1mwn h LYS 55 Cb 0.07 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1mwn h LYS 55 CO -0.03 1.16 -0.58 0.28 -2.27 0.00 0.00 179.45 178.01 1mwn h VAL 56 N 0.75 1.29 -0.31 2.00 2.07 0.19 -0.83 116.25 121.42 1mwn h VAL 56 Ca 0.06 -1.80 -0.16 0.00 0.82 0.00 0.00 66.70 65.61 1mwn h VAL 56 Cb 1.01 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1mwn h VAL 56 CO 0.10 0.57 -0.43 -0.03 0.02 0.00 0.00 177.57 177.80 1mwn h MET 57 N 0.56 0.85 -0.14 1.57 1.85 0.50 -2.44 114.93 117.68 1mwn h MET 57 Ca 0.00 -0.49 -0.05 0.00 -0.61 0.00 0.00 59.70 58.55 1mwn h MET 57 Cb 1.17 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.23 1mwn h MET 57 CO 0.12 1.13 -0.14 1.49 -0.40 0.00 0.00 176.91 179.11 1mwn h GLU 58 N 0.63 0.21 -0.73 0.39 4.81 0.55 2.96 114.58 123.40 1mwn h GLU 58 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1mwn h GLU 58 Cb 1.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1mwn h GLU 58 CO 0.10 0.36 0.21 1.15 -0.73 0.00 0.00 179.01 180.10 1mwn h THR 59 N 0.20 1.26 0.01 0.32 2.02 -0.70 -3.22 112.91 112.80 1mwn h THR 59 Ca 0.04 -0.93 -0.41 0.00 0.77 0.00 0.00 66.41 65.88 1mwn h THR 59 Cb 0.37 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1mwn h THR 59 CO 0.02 0.36 -2.31 0.18 0.37 0.00 0.00 175.52 174.15 1mwn n LEU 60 N -4.24 2.16 -2.26 2.58 4.32 -0.79 -4.38 117.00 114.38 1mwn n LEU 60 Ca 0.06 0.26 -0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1mwn n LEU 60 Cb 0.24 -0.87 -0.11 0.00 -1.62 0.00 0.00 43.42 41.05 1mwn n LEU 60 CO 0.42 0.61 1.50 -0.67 -1.22 0.00 0.00 177.39 178.03 1mwn n ASP 61 N -4.07 4.17 0.00 -1.43 -0.08 0.98 -4.34 116.55 111.78 1mwn n ASP 61 Ca -0.49 -2.25 0.05 0.00 -1.51 0.00 0.00 54.79 50.60 1mwn n ASP 61 Cb 0.88 -1.07 0.31 0.00 2.34 0.00 0.00 41.12 43.58 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 2.79 0.32 0.08 -0.67 2.13 -1.21 -0.44 120.64 123.64 1mwn n GLU 62 Ca 0.35 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.05 1mwn n GLU 62 Cb 0.62 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.76 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 0.37 0.00 4.31 3.32 -1.89 -3.46 116.42 119.07 1mwn h ASP 63 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1mwn h ASP 63 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1mwn h ASP 63 CO 0.00 1.17 0.00 0.61 -1.72 0.00 0.00 179.24 179.30 1mwn n GLY 64 N 1.11 0.55 0.26 2.75 0.00 0.41 -4.87 105.19 105.41 1mwn n GLY 64 Ca -0.06 -0.06 0.13 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 0.11 0.81 -1.49 1.61 5.75 -1.26 -4.87 116.55 117.20 1mwn n ASP 65 Ca 0.00 -1.38 -0.13 0.00 -0.01 0.00 0.00 54.79 53.27 1mwn n ASP 65 Cb 0.00 -0.02 -0.00 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 1.04 -0.14 3.19 6.12 0.00 -1.26 -4.99 105.19 109.14 1mwn n GLY 66 Ca 0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.70 0.80 -0.09 1.61 2.02 -1.26 -3.72 118.70 113.37 1mwn s GLU 67 Ca 0.02 -0.98 -0.00 0.00 0.02 0.00 0.00 54.97 54.03 1mwn s GLU 67 Cb -0.01 0.32 0.02 0.00 0.10 0.00 0.00 34.13 34.56 1mwn s GLU 67 CO 0.03 -0.24 -0.05 0.00 0.02 0.00 0.00 175.26 175.02 1mwn s ASP 69 N 1.58 4.83 0.27 0.00 1.01 -1.26 -1.39 116.67 121.71 1mwn s ASP 69 Ca 0.01 0.89 -0.01 0.00 0.71 0.00 0.00 52.55 54.15 1mwn s ASP 69 Cb -0.13 -1.49 0.47 0.00 1.01 0.00 0.00 42.92 42.79 1mwn s ASP 69 CO -0.05 -1.71 1.86 2.19 0.21 0.00 0.00 175.17 177.67 1mwn h PHE 70 N -0.91 1.18 -0.84 4.23 -0.00 -1.96 0.29 116.94 118.93 1mwn h PHE 70 Ca -0.46 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 57.52 1mwn h PHE 70 Cb 1.30 -0.38 -0.04 0.00 -0.00 0.00 0.00 35.95 36.83 1mwn h PHE 70 CO 0.38 0.55 0.42 1.96 -0.00 0.00 0.00 178.31 181.61 1mwn h GLN 71 N 1.10 1.19 -0.34 6.09 4.20 -1.97 0.32 115.11 125.69 1mwn h GLN 71 Ca 0.46 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.86 1mwn h GLN 71 Cb 0.31 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1mwn h GLN 71 CO -0.22 0.90 -0.37 0.93 -0.67 0.00 0.00 178.83 179.41 1mwn h GLU 72 N 1.18 0.86 -0.56 1.46 5.08 -1.28 -2.48 114.58 118.84 1mwn h GLU 72 Ca 0.29 -0.46 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1mwn h GLU 72 Cb 0.09 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1mwn h GLU 72 CO -0.04 1.10 0.13 0.35 -1.00 0.00 0.00 179.01 179.55 1mwn h PHE 73 N 0.65 0.89 -0.34 4.33 3.57 -0.13 -1.12 116.94 124.79 1mwn h PHE 73 Ca 0.05 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1mwn h PHE 73 Cb 0.96 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1mwn h PHE 73 CO 0.07 0.75 0.23 1.98 -2.23 0.00 0.00 178.31 179.11 1mwn h MET 74 N 0.83 0.45 0.00 1.11 4.05 -0.13 0.57 114.93 121.81 1mwn h MET 74 Ca 0.18 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1mwn h MET 74 Cb 0.31 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1mwn h MET 74 CO 0.00 0.30 -0.33 0.00 0.23 0.00 0.00 176.91 177.11 1mwn h ALA 75 N 1.79 1.24 -0.74 0.39 0.00 -0.75 -2.79 119.26 118.39 1mwn h ALA 75 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1mwn h ALA 75 Cb -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1mwn h ALA 75 CO -0.03 0.41 0.49 0.35 0.00 0.00 0.00 179.25 180.48 1mwn h PHE 76 N 0.00 0.93 -0.48 0.00 3.57 -0.69 0.20 116.94 120.47 1mwn h PHE 76 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1mwn h PHE 76 Cb 0.68 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1mwn h PHE 76 CO 0.00 0.59 0.30 0.28 -2.23 0.00 0.00 178.31 177.25 1mwn h VAL 77 N 1.01 1.14 -0.87 1.41 2.07 -1.49 -0.65 116.25 118.86 1mwn h VAL 77 Ca 0.27 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1mwn h VAL 77 Cb -0.12 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 1mwn h VAL 77 CO -0.06 0.14 0.48 0.28 0.02 0.00 0.00 177.57 178.42 1mwn h SER 78 N 0.65 1.09 -0.28 0.57 0.02 -1.17 0.79 113.55 115.21 1mwn h SER 78 Ca 0.17 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1mwn h SER 78 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1mwn h SER 78 CO -0.04 0.87 -0.01 -0.03 -1.14 0.00 0.00 176.83 176.49 1mwn h MET 79 N 1.21 0.51 -0.23 3.45 -1.53 -0.07 0.15 114.93 118.41 1mwn h MET 79 Ca 0.31 -0.17 -0.15 0.00 -3.44 0.00 0.00 59.70 56.25 1mwn h MET 79 Cb 0.03 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.03 1mwn h MET 79 CO -0.05 0.67 -0.48 0.28 0.14 0.00 0.00 176.91 177.47 1mwn h VAL 80 N 0.29 1.31 -0.86 -5.77 2.07 -0.81 -1.50 116.25 110.98 1mwn h VAL 80 Ca 0.08 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1mwn h VAL 80 Cb 0.44 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1mwn h VAL 80 CO 0.02 0.53 0.41 0.74 0.02 0.00 0.00 177.57 179.29 1mwn h THR 81 N 0.49 1.26 -0.29 2.57 2.02 0.82 0.12 112.91 119.90 1mwn h THR 81 Ca 0.03 -0.73 -0.19 0.00 0.77 0.00 0.00 66.41 66.28 1mwn h THR 81 Cb 1.02 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1mwn h THR 81 CO 0.10 0.32 -0.55 0.71 0.37 0.00 0.00 175.52 176.46 1mwn h THR 82 N 1.22 1.27 -0.28 3.16 1.35 -0.79 -2.41 112.91 116.44 1mwn h THR 82 Ca 0.29 -1.73 -0.09 0.00 -0.55 0.00 0.00 66.41 64.33 1mwn h THR 82 Cb 0.12 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1mwn h THR 82 CO -0.04 0.57 -0.18 0.00 -0.25 0.00 0.00 175.52 175.62 1mwn h ALA 83 N 0.68 0.40 -0.13 6.62 0.00 -0.97 -0.15 119.26 125.71 1mwn h ALA 83 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1mwn h ALA 83 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1mwn h ALA 83 CO 0.12 0.32 0.07 0.00 0.00 0.00 0.00 179.25 179.76 1mwn h HIS 85 N 0.10 1.25 -0.98 0.00 6.17 -1.41 -2.25 115.15 118.03 1mwn h HIS 85 Ca 0.05 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.14 1mwn h HIS 85 Cb 0.09 -0.41 -0.05 0.00 2.52 0.00 0.00 27.41 29.56 1mwn h HIS 85 CO -0.04 0.82 0.65 1.49 0.71 0.00 0.00 177.93 181.56 1mwn h GLU 86 N 1.31 1.27 -5.78 5.26 4.81 -0.53 -3.39 114.58 117.53 1mwn h GLU 86 Ca 0.34 -0.08 -0.53 0.00 -0.13 0.00 0.00 59.36 58.97 1mwn h GLU 86 Cb -0.07 -0.29 0.00 0.00 0.63 0.00 0.00 28.75 29.02 1mwn h GLU 86 CO -0.07 0.84 1.57 0.34 -0.73 0.00 0.00 179.01 180.97 1mwn n PHE 87 N -4.39 1.66 -5.04 0.92 7.35 -0.62 -4.92 117.46 112.41 1mwn n PHE 87 Ca 0.12 0.02 -0.32 0.00 -0.76 0.00 0.00 57.45 56.50 1mwn n PHE 87 Cb 0.03 -2.67 -0.14 0.00 0.35 0.00 0.00 39.48 37.04 1mwn n PHE 87 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1mwn s PHE 88 N 10.29 2.57 -0.48 -5.13 5.36 -1.26 -5.01 117.98 124.31 1mwn s PHE 88 Ca 1.00 -0.26 -0.27 0.00 -0.96 0.00 0.00 56.93 56.44 1mwn s PHE 88 Cb -0.29 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 1mwn s PHE 88 CO 0.31 0.10 1.05 -2.00 -1.46 0.00 0.00 175.22 173.22 1mwn s GLU 89 N -0.68 3.61 0.25 10.12 2.12 -1.26 -4.89 118.70 127.98 1mwn s GLU 89 Ca 0.11 0.34 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 1mwn s GLU 89 Cb -0.10 -3.93 0.27 0.00 0.26 0.00 0.00 34.13 30.62 1mwn s GLU 89 CO -0.00 -1.34 1.93 0.45 -0.54 0.00 0.00 175.26 175.76 1mwn h HIS 90 N 9.20 1.26 0.00 5.30 3.86 -2.01 -3.57 115.15 129.19 1mwn h HIS 90 Ca -0.24 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1mwn h HIS 90 Cb 1.07 -0.43 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1mwn h HIS 90 CO 0.93 0.80 0.00 0.39 0.86 0.00 0.00 177.93 180.91