#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mzg s LEU 4 N 0.00 4.29 0.79 -1.96 1.43 -1.26 -5.08 118.68 116.90 1mzg s LEU 4 Ca 0.00 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1mzg s LEU 4 Cb 0.00 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 44.09 1mzg s LEU 4 CO 0.00 0.36 1.10 -2.16 0.23 0.00 0.00 176.35 175.88 1mzg s PRO 5 N -1.28 2.07 0.98 1.29 0.04 -1.26 -5.02 135.00 131.82 1mzg s PRO 5 Ca 0.18 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 1mzg s PRO 5 Cb -0.12 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.72 1mzg s PRO 5 CO 0.08 -1.78 1.17 0.16 0.04 0.00 0.00 177.00 176.67 1mzg s ASP 6 N -3.33 2.90 0.33 6.66 1.47 -1.26 -4.74 116.67 118.71 1mzg s ASP 6 Ca 0.62 0.77 0.02 0.00 1.18 0.00 0.00 52.55 55.14 1mzg s ASP 6 Cb -0.18 -1.19 0.57 0.00 -0.34 0.00 0.00 42.92 41.78 1mzg s ASP 6 CO 0.56 -2.91 1.92 0.07 0.68 0.00 0.00 175.17 175.49 1mzg h LYS 7 N -1.75 0.73 -0.16 2.11 2.10 -1.95 -0.63 116.57 117.02 1mzg h LYS 7 Ca -0.48 -0.10 -0.00 0.00 -2.00 0.00 0.00 60.65 58.06 1mzg h LYS 7 Cb 1.31 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1mzg h LYS 7 CO 0.52 0.60 0.08 1.49 -2.00 0.00 0.00 179.45 180.15 1mzg h GLU 8 N 0.72 0.23 -0.13 0.07 4.81 -1.96 -2.05 114.58 116.27 1mzg h GLU 8 Ca 0.17 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1mzg h GLU 8 Cb 0.14 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1mzg h GLU 8 CO -0.02 0.25 -0.53 0.87 -0.73 0.00 0.00 179.01 178.86 1mzg h LYS 9 N 0.15 0.37 -0.16 1.92 1.57 -1.84 -2.21 116.57 116.37 1mzg h LYS 9 Ca 0.06 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1mzg h LYS 9 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1mzg h LYS 9 CO -0.01 0.81 0.05 1.25 -0.57 0.00 0.00 179.45 180.98 1mzg h LEU 10 N 0.29 0.05 -0.62 2.94 6.46 -0.99 0.60 115.31 124.04 1mzg h LEU 10 Ca 0.01 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.71 1mzg h LEU 10 Cb 1.02 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1mzg h LEU 10 CO 0.09 0.05 0.10 0.25 -0.62 0.00 0.00 178.44 178.31 1mzg h LEU 11 N 0.13 0.98 -0.44 2.25 5.85 -1.27 0.30 115.31 123.10 1mzg h LEU 11 Ca 0.07 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1mzg h LEU 11 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1mzg h LEU 11 CO -0.08 0.99 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.91 1mzg h ARG 12 N 0.93 0.80 -0.30 1.25 2.43 -1.19 -1.64 114.38 116.66 1mzg h ARG 12 Ca 0.19 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1mzg h ARG 12 Cb 0.43 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1mzg h ARG 12 CO 0.01 0.87 -0.38 -0.91 -1.51 0.00 0.00 179.97 178.05 1mzg h ASN 13 N 0.64 0.76 0.36 -3.80 2.35 -0.71 -1.56 115.58 113.62 1mzg h ASN 13 Ca 0.12 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1mzg h ASN 13 Cb 0.52 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1mzg h ASN 13 CO 0.03 1.05 -0.17 0.15 -1.65 0.00 0.00 177.43 176.84 1mzg h PHE 14 N 0.59 -0.44 0.00 1.19 3.57 -0.85 -2.50 116.94 118.50 1mzg h PHE 14 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1mzg h PHE 14 Cb 0.92 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1mzg h PHE 14 CO 0.05 -0.25 0.00 -0.07 -2.23 0.00 0.00 178.31 175.80 1mzg h LEU 15 N -0.51 0.00 -0.61 0.59 4.07 -1.27 -2.10 115.31 115.48 1mzg h LEU 15 Ca -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 1mzg h LEU 15 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1mzg h LEU 15 CO 0.08 0.00 -0.29 0.08 -1.08 0.00 0.00 178.44 177.23 1mzg h ARG 16 N 0.00 0.00 -6.70 1.13 0.11 -0.84 -3.45 114.38 104.64 1mzg h ARG 16 Ca 0.00 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.52 1mzg h ARG 16 Cb 0.35 0.00 0.09 0.00 1.11 0.00 0.00 29.97 31.52 1mzg h ARG 16 CO 0.00 0.29 0.70 0.00 0.10 0.00 0.00 179.97 181.06 1mzg n ALA 18 N 1.72 1.89 -3.77 0.00 0.00 -1.26 -4.90 120.51 114.19 1mzg n ALA 18 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 1mzg n ALA 18 Cb 0.34 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1mzg n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1mzg s ASN 19 N -4.36 -0.26 0.53 0.00 2.20 -1.26 -5.05 114.94 106.73 1mzg s ASN 19 Ca 0.07 -0.46 0.33 0.00 -0.94 0.00 0.00 52.86 51.86 1mzg s ASN 19 Cb 0.10 0.62 1.34 0.00 -2.00 0.00 0.00 41.25 41.31 1mzg s ASN 19 CO 0.47 -1.13 1.96 -0.50 -2.94 0.00 0.00 177.10 174.96 1mzg h TRP 20 N 2.00 0.00 -0.32 1.54 4.06 -1.99 -2.26 115.95 118.98 1mzg h TRP 20 Ca -0.22 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.55 1mzg h TRP 20 Cb 1.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1mzg h TRP 20 CO 0.39 0.00 -0.49 1.49 -3.56 0.00 0.00 178.44 176.27 1mzg h GLU 21 N 0.00 0.89 -0.38 0.49 4.81 -1.98 0.12 114.58 118.52 1mzg h GLU 21 Ca 0.00 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1mzg h GLU 21 Cb 0.50 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1mzg h GLU 21 CO 0.00 1.17 0.13 1.49 -0.73 0.00 0.00 179.01 181.07 1mzg h GLU 22 N 0.70 0.58 -0.37 1.92 4.81 -1.92 0.07 114.58 120.37 1mzg h GLU 22 Ca 0.03 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1mzg h GLU 22 Cb 1.09 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 1mzg h GLU 22 CO 0.11 0.58 0.16 0.87 -0.73 0.00 0.00 179.01 180.01 1mzg h LYS 23 N 0.47 0.33 -0.22 1.92 1.57 -1.23 0.18 116.57 119.59 1mzg h LYS 23 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1mzg h LYS 23 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1mzg h LYS 23 CO -0.01 0.22 0.13 -0.92 -0.57 0.00 0.00 179.45 178.31 1mzg h TYR 24 N 0.34 0.28 0.00 -1.35 3.20 -0.46 -1.45 116.97 117.54 1mzg h TYR 24 Ca 0.16 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1mzg h TYR 24 Cb 0.10 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1mzg h TYR 24 CO -0.12 0.20 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.15 1mzg h LEU 25 N 0.27 0.00 -0.45 2.82 3.38 -0.82 -2.11 115.31 118.40 1mzg h LEU 25 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1mzg h LEU 25 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1mzg h LEU 25 CO -0.02 0.38 -0.02 0.22 0.09 0.00 0.00 178.44 179.10 1mzg h TYR 26 N 0.00 0.88 -0.30 1.13 3.20 -0.42 0.28 116.97 121.73 1mzg h TYR 26 Ca -0.00 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 1mzg h TYR 26 Cb 0.70 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1mzg h TYR 26 CO 0.00 0.86 0.18 0.82 -1.64 0.00 0.00 178.16 178.37 1mzg h ILE 27 N 0.64 1.11 -0.88 1.81 2.04 -1.01 -0.86 117.51 120.36 1mzg h ILE 27 Ca 0.12 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1mzg h ILE 27 Cb 0.52 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1mzg h ILE 27 CO 0.03 0.11 0.46 0.40 0.00 0.00 0.00 178.15 179.15 1mzg h ILE 28 N 0.38 1.26 -0.31 -0.67 2.04 -1.17 -1.88 117.51 117.17 1mzg h ILE 28 Ca 0.11 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1mzg h ILE 28 Cb 0.02 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 1mzg h ILE 28 CO -0.02 0.30 0.14 -0.08 0.00 0.00 0.00 178.15 178.49 1mzg h GLU 29 N 1.23 0.29 -0.98 2.37 4.81 0.21 -1.31 114.58 121.21 1mzg h GLU 29 Ca 0.31 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1mzg h GLU 29 Cb 0.06 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 1mzg h GLU 29 CO -0.05 0.20 0.63 -0.07 -0.73 0.00 0.00 179.01 178.99 1mzg h LEU 30 N 0.30 1.01 -0.76 1.64 3.38 -0.78 -1.44 115.31 118.67 1mzg h LEU 30 Ca 0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1mzg h LEU 30 Cb 0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1mzg h LEU 30 CO -0.10 0.66 0.50 1.23 0.09 0.00 0.00 178.44 180.82 1mzg h GLY 31 N 1.16 1.08 2.00 0.83 0.00 -0.54 -1.01 103.07 106.60 1mzg h GLY 31 Ca 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1mzg h GLY 31 CO -0.16 0.37 0.00 1.46 0.00 0.00 0.00 176.54 178.20 1mzg h GLN 32 N 1.00 0.00 0.00 4.80 1.08 -0.19 -2.23 115.11 119.57 1mzg h GLN 32 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 1mzg h GLN 32 Cb -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1mzg h GLN 32 CO -0.08 0.00 -0.24 0.54 -0.95 0.00 0.00 178.83 178.10 1mzg n ARG 33 N -2.35 0.26 -1.77 1.46 1.74 -0.39 -4.88 116.66 110.73 1mzg n ARG 33 Ca 0.01 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1mzg n ARG 33 Cb 0.20 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1mzg n ARG 33 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mzg n LEU 34 N -2.17 4.70 -4.73 0.55 4.32 -0.84 -4.93 117.00 113.90 1mzg n LEU 34 Ca 0.05 1.21 -0.36 0.00 -0.02 0.00 0.00 56.01 56.88 1mzg n LEU 34 Cb 0.43 -1.62 0.07 0.00 -1.62 0.00 0.00 43.42 40.68 1mzg n LEU 34 CO 0.33 0.18 0.86 -2.84 -1.22 0.00 0.00 177.39 174.70 1mzg s PRO 35 N -1.67 2.46 0.38 3.23 0.02 -1.26 -4.92 135.00 133.24 1mzg s PRO 35 Ca 0.56 1.94 -0.28 0.00 0.02 0.00 0.00 61.00 63.25 1mzg s PRO 35 Cb -0.48 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.09 1mzg s PRO 35 CO 0.60 -1.64 1.47 -1.21 -0.33 0.00 0.00 177.00 175.89 1mzg s GLU 36 N -3.54 4.07 -0.03 5.54 0.41 -1.26 -4.78 118.70 119.11 1mzg s GLU 36 Ca 0.79 2.53 -0.22 0.00 -0.41 0.00 0.00 54.97 57.67 1mzg s GLU 36 Cb -0.34 -2.93 -0.05 0.00 -1.78 0.00 0.00 34.13 29.03 1mzg s GLU 36 CO 0.41 -0.55 0.66 -1.17 -0.49 0.00 0.00 175.26 174.11 1mzg s LEU 37 N -2.16 4.37 0.24 1.80 0.20 -1.26 -5.01 118.68 116.86 1mzg s LEU 37 Ca 0.54 1.19 -0.31 0.00 0.69 0.00 0.00 54.13 56.23 1mzg s LEU 37 Cb -0.46 -3.02 -0.12 0.00 -0.43 0.00 0.00 46.19 42.16 1mzg s LEU 37 CO 0.62 -0.01 1.64 0.54 -0.29 0.00 0.00 176.35 178.85 1mzg n ARG 38 N 3.22 2.65 -0.18 1.98 3.00 -1.26 -4.83 116.66 121.24 1mzg n ARG 38 Ca -0.04 0.95 0.26 0.00 -0.01 0.00 0.00 57.85 59.01 1mzg n ARG 38 Cb 0.51 -2.75 0.67 0.00 0.00 0.00 0.00 32.46 30.89 1mzg n ARG 38 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1mzg h ASP 39 N 5.76 0.10 -0.09 0.55 5.19 -1.95 0.39 116.42 126.38 1mzg h ASP 39 Ca -0.45 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 1mzg h ASP 39 Cb 1.22 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1mzg h ASP 39 CO 0.87 0.04 -0.19 -0.08 -3.12 0.00 0.00 179.24 176.76 1mzg h GLU 40 N 0.10 0.48 0.00 3.56 4.81 -2.04 -2.85 114.58 118.63 1mzg h GLU 40 Ca 0.42 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1mzg h GLU 40 Cb 1.52 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1mzg h GLU 40 CO -0.05 0.65 -0.35 -0.44 -0.73 0.00 0.00 179.01 178.09 1mzg h ASP 41 N 0.43 0.00 -0.46 1.04 3.32 -0.59 -3.38 116.42 116.79 1mzg h ASP 41 Ca 0.07 -0.10 -0.72 0.00 0.02 0.00 0.00 57.03 56.31 1mzg h ASP 41 Cb 0.58 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1mzg h ASP 41 CO 0.04 0.05 2.96 -1.14 -1.72 0.00 0.00 179.24 179.43 1mzg n ARG 42 N -2.30 3.43 -4.27 3.56 0.63 -0.82 -4.59 116.66 112.30 1mzg n ARG 42 Ca 0.04 -2.83 -0.15 0.00 -0.92 0.00 0.00 57.85 54.00 1mzg n ARG 42 Cb 0.45 -3.02 -0.10 0.00 0.45 0.00 0.00 32.46 30.24 1mzg n ARG 42 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1mzg s SER 43 N 2.08 1.63 0.40 6.15 1.04 -1.26 -5.00 113.70 118.74 1mzg s SER 43 Ca 0.51 -1.11 0.20 0.00 0.48 0.00 0.00 55.95 56.03 1mzg s SER 43 Cb 0.14 0.03 1.16 0.00 0.10 0.00 0.00 66.02 67.46 1mzg s SER 43 CO -0.06 -0.45 1.73 -0.65 0.98 0.00 0.00 173.24 174.79 1mzg h PRO 44 N 2.68 0.32 -0.37 4.02 0.11 -1.96 0.73 132.00 137.53 1mzg h PRO 44 Ca -0.37 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.81 1mzg h PRO 44 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1mzg h PRO 44 CO 0.64 0.21 0.26 0.37 -0.21 0.00 0.00 178.00 179.27 1mzg h GLN 45 N 0.33 0.07 -0.42 1.05 5.75 -1.97 -0.75 115.11 119.17 1mzg h GLN 45 Ca 0.66 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.16 1mzg h GLN 45 Cb 1.74 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.27 1mzg h GLN 45 CO -0.36 0.05 0.00 0.09 -2.65 0.00 0.00 178.83 175.95 1mzg n ASN 46 N -4.45 3.41 -4.77 -0.69 3.02 0.24 -4.99 115.26 107.03 1mzg n ASN 46 Ca 0.05 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.25 1mzg n ASN 46 Cb 0.39 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1mzg n ASN 46 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mzg s SER 47 N -1.32 6.70 -0.09 6.41 0.01 -0.29 -1.26 113.70 123.86 1mzg s SER 47 Ca 0.37 2.37 0.02 0.00 1.31 0.00 0.00 55.95 60.03 1mzg s SER 47 Cb 0.21 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1mzg s SER 47 CO 0.29 -0.55 -0.14 -0.63 0.41 0.00 0.00 173.24 172.62 1mzg s ILE 48 N -1.34 3.01 0.17 1.44 -1.09 0.06 -4.90 121.20 118.55 1mzg s ILE 48 Ca 0.54 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1mzg s ILE 48 Cb -0.32 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1mzg s ILE 48 CO 0.41 0.56 0.13 -1.10 -1.23 0.00 0.00 174.94 173.70 1mzg s GLN 49 N -0.17 2.85 0.00 2.79 1.11 -1.26 -4.19 119.66 120.80 1mzg s GLN 49 Ca -0.00 -0.90 0.00 0.00 0.01 0.00 0.00 55.36 54.46 1mzg s GLN 49 Cb -0.13 -2.61 0.00 0.00 -1.01 0.00 0.00 33.01 29.25 1mzg s GLN 49 CO 0.03 0.48 0.00 0.41 0.01 0.00 0.00 175.29 176.22 1mzg n GLY 50 N -0.37 0.81 0.93 3.09 0.00 -1.26 -4.92 105.19 103.47 1mzg n GLY 50 Ca -0.08 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1mzg n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mzg n GLN 52 N -0.40 -2.29 -3.78 0.00 7.27 -1.26 -4.81 117.38 112.11 1mzg n GLN 52 Ca 0.21 0.43 0.01 0.00 0.07 0.00 0.00 57.00 57.72 1mzg n GLN 52 Cb 0.89 -4.94 0.00 0.00 2.41 0.00 0.00 30.24 28.59 1mzg n GLN 52 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1mzg s SER 53 N -1.98 -0.04 -0.08 1.69 1.04 -1.26 -5.07 113.70 108.01 1mzg s SER 53 Ca 0.00 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1mzg s SER 53 Cb 0.00 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1mzg s SER 53 CO 0.00 -0.45 0.97 -1.10 0.98 0.00 0.00 173.24 173.63 1mzg s GLN 54 N -2.35 4.45 -0.02 4.02 -0.21 -1.26 -4.85 119.66 119.44 1mzg s GLN 54 Ca 0.20 1.34 0.02 0.00 0.02 0.00 0.00 55.36 56.93 1mzg s GLN 54 Cb 0.02 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.52 1mzg s GLN 54 CO -0.01 -0.21 -0.07 0.08 -2.12 0.00 0.00 175.29 172.96 1mzg s VAL 55 N 1.64 0.62 -0.07 1.09 1.01 -1.26 -2.40 120.40 121.03 1mzg s VAL 55 Ca 0.48 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1mzg s VAL 55 Cb -0.19 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1mzg s VAL 55 CO 0.21 0.20 -0.14 0.26 0.00 0.00 0.00 175.10 175.63 1mzg s TRP 56 N 0.27 1.60 -0.02 5.22 0.51 0.08 -0.76 118.94 125.84 1mzg s TRP 56 Ca -0.04 -0.59 0.00 0.00 -2.12 0.00 0.00 56.10 53.36 1mzg s TRP 56 Cb -0.08 -1.15 0.02 0.00 -0.81 0.00 0.00 33.47 31.46 1mzg s TRP 56 CO 0.00 -0.28 0.00 0.42 -0.51 0.00 0.00 176.95 176.58 1mzg s ILE 57 N 0.57 0.14 0.46 2.03 1.01 -0.39 -1.12 121.20 123.90 1mzg s ILE 57 Ca -0.14 0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1mzg s ILE 57 Cb -0.16 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1mzg s ILE 57 CO 0.04 0.12 0.09 0.54 0.00 0.00 0.00 174.94 175.73 1mzg s VAL 58 N 0.87 0.73 0.00 2.92 0.11 0.15 -4.74 120.40 120.44 1mzg s VAL 58 Ca -0.09 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 56.96 1mzg s VAL 58 Cb -0.12 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1mzg s VAL 58 CO -0.02 0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.29 1mzg n ARG 60 N -1.09 0.00 -3.49 1.54 1.74 -0.83 -1.22 116.66 113.30 1mzg n ARG 60 Ca -0.12 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.58 1mzg n ARG 60 Cb 0.66 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.03 1mzg n ARG 60 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1mzg s GLN 61 N -2.00 4.04 0.00 5.56 -0.21 -1.26 0.01 119.66 125.80 1mzg s GLN 61 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1mzg s GLN 61 Cb 0.00 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1mzg s GLN 61 CO 0.00 0.50 0.00 0.27 -2.12 0.00 0.00 175.29 173.94 1mzg n ASN 62 N 2.54 -0.02 0.21 5.90 6.94 -1.05 -4.87 115.26 124.90 1mzg n ASN 62 Ca -0.12 -0.11 0.14 0.00 -0.02 0.00 0.00 54.58 54.46 1mzg n ASN 62 Cb 0.52 0.00 0.74 0.00 -2.36 0.00 0.00 39.78 38.68 1mzg n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mzg h ALA 63 N -2.00 1.00 -4.80 -2.53 0.00 -1.99 -3.41 119.26 105.53 1mzg h ALA 63 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1mzg h ALA 63 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1mzg h ALA 63 CO 0.00 0.00 -0.18 0.94 0.00 0.00 0.00 179.25 180.01 1mzg n GLN 64 N -2.49 1.18 -0.94 0.00 0.00 -1.26 -5.03 117.38 108.84 1mzg n GLN 64 Ca -0.01 -1.82 -0.19 0.00 -0.00 0.00 0.00 57.00 54.97 1mzg n GLN 64 Cb 0.07 0.31 0.12 0.00 0.00 0.00 0.00 30.24 30.74 1mzg n GLN 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1mzg n GLY 65 N 1.70 4.06 3.69 1.69 0.00 -1.26 -4.87 105.19 110.19 1mzg n GLY 65 Ca -0.05 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1mzg n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1mzg s ILE 66 N -2.64 4.95 0.26 -0.61 2.07 -1.26 -4.17 121.20 119.80 1mzg s ILE 66 Ca 0.43 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 59.39 1mzg s ILE 66 Cb 0.36 -3.21 -0.10 0.00 0.13 0.00 0.00 42.46 39.64 1mzg s ILE 66 CO 0.06 0.49 1.36 -0.63 -1.91 0.00 0.00 174.94 174.32 1mzg s ILE 67 N 0.05 2.83 -0.22 2.00 -1.09 -1.26 -2.54 121.20 120.97 1mzg s ILE 67 Ca 0.07 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 1mzg s ILE 67 Cb -0.12 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1mzg s ILE 67 CO 0.00 0.13 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.01 1mzg s GLU 68 N -0.71 2.83 -0.12 2.79 2.12 0.10 -4.62 118.70 121.10 1mzg s GLU 68 Ca 0.56 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.90 1mzg s GLU 68 Cb -0.40 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 1mzg s GLU 68 CO 0.45 -0.33 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.33 1mzg s LEU 69 N 1.27 3.52 0.03 2.70 1.43 -1.26 -1.97 118.68 124.40 1mzg s LEU 69 Ca 0.01 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1mzg s LEU 69 Cb -0.15 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1mzg s LEU 69 CO -0.09 0.29 -0.09 -1.10 0.23 0.00 0.00 176.35 175.59 1mzg s GLN 70 N -0.32 0.65 0.19 1.70 -0.21 -0.36 -5.01 119.66 116.29 1mzg s GLN 70 Ca 0.07 -0.59 -0.24 0.00 0.02 0.00 0.00 55.36 54.61 1mzg s GLN 70 Cb -0.12 -0.56 0.05 0.00 1.00 0.00 0.00 33.01 33.37 1mzg s GLN 70 CO 0.02 0.14 0.88 0.20 -2.12 0.00 0.00 175.29 174.41 1mzg s GLY 71 N -1.00 -0.20 0.18 3.09 0.00 -1.26 -0.68 107.32 107.45 1mzg s GLY 71 Ca -0.02 0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.49 1mzg s GLY 71 CO 0.01 -0.02 0.64 -0.35 0.00 0.00 0.00 173.10 173.37 1mzg s ASP 72 N -2.92 -0.50 -0.05 1.64 2.15 -0.28 -4.73 116.67 111.99 1mzg s ASP 72 Ca 0.12 -0.12 -0.19 0.00 0.43 0.00 0.00 52.55 52.79 1mzg s ASP 72 Cb -0.03 0.62 0.04 0.00 -0.30 0.00 0.00 42.92 43.25 1mzg s ASP 72 CO 0.03 -1.03 0.42 -0.55 -0.17 0.00 0.00 175.17 173.87 1mzg s SER 73 N -2.78 -0.35 0.00 -0.34 0.15 -1.26 -0.74 113.70 108.38 1mzg s SER 73 Ca 0.03 0.37 0.23 0.00 0.70 0.00 0.00 55.95 57.28 1mzg s SER 73 Cb -0.02 0.46 1.06 0.00 -1.71 0.00 0.00 66.02 65.82 1mzg s SER 73 CO -0.09 -0.44 1.72 -0.90 1.20 0.00 0.00 173.24 174.74 1mzg n ASP 74 N 1.44 0.95 -4.23 5.45 5.75 -1.01 -4.62 116.55 120.29 1mzg n ASP 74 Ca -0.20 -1.49 -0.35 0.00 -0.01 0.00 0.00 54.79 52.74 1mzg n ASP 74 Cb 0.56 -0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 40.47 1mzg n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mzg s ALA 75 N -1.92 2.77 0.21 2.12 0.00 -1.26 -4.98 121.76 118.69 1mzg s ALA 75 Ca 0.34 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1mzg s ALA 75 Cb 0.17 -1.77 0.25 0.00 0.00 0.00 0.00 23.12 21.78 1mzg s ALA 75 CO 0.28 -0.81 1.65 0.00 0.00 0.00 0.00 175.76 176.88 1mzg h ALA 76 N 8.06 0.51 -0.31 0.00 0.00 -1.99 0.41 119.26 125.93 1mzg h ALA 76 Ca -0.33 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1mzg h ALA 76 Cb 1.11 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1mzg h ALA 76 CO 0.58 -0.41 -0.17 0.97 0.00 0.00 0.00 179.25 180.22 1mzg h ILE 77 N 0.07 1.25 -0.52 0.00 6.09 -1.95 -1.43 117.51 121.02 1mzg h ILE 77 Ca 0.30 -1.15 -0.10 0.00 -1.37 0.00 0.00 64.86 62.53 1mzg h ILE 77 Cb 0.48 1.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.95 1mzg h ILE 77 CO -0.54 0.38 -0.07 0.58 -3.07 0.00 0.00 178.15 175.42 1mzg h VAL 78 N 0.51 1.27 -0.35 2.19 2.07 -1.66 -1.71 116.25 118.57 1mzg h VAL 78 Ca 0.08 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1mzg h VAL 78 Cb 0.59 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1mzg h VAL 78 CO 0.04 0.42 0.05 0.50 0.02 0.00 0.00 177.57 178.60 1mzg h LYS 79 N 0.84 0.52 -0.57 1.57 3.64 -0.59 -0.18 116.57 121.81 1mzg h LYS 79 Ca 0.14 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1mzg h LYS 79 Cb 0.62 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1mzg h LYS 79 CO 0.04 0.51 -0.07 0.78 -2.27 0.00 0.00 179.45 178.44 1mzg h GLY 80 N 0.78 1.13 1.36 5.01 0.00 -0.85 -1.19 103.07 109.32 1mzg h GLY 80 Ca 0.12 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.48 1mzg h GLY 80 CO 0.00 0.81 -0.05 1.41 0.00 0.00 0.00 176.54 178.71 1mzg h LEU 81 N 0.94 0.75 -0.40 3.11 4.07 -0.74 -0.95 115.31 122.09 1mzg h LEU 81 Ca 0.15 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.93 1mzg h LEU 81 Cb 0.64 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1mzg h LEU 81 CO 0.04 0.85 0.23 0.40 -1.08 0.00 0.00 178.44 178.88 1mzg h ILE 82 N 0.71 1.04 -0.80 1.22 2.04 -0.51 -1.50 117.51 119.71 1mzg h ILE 82 Ca 0.13 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1mzg h ILE 82 Cb 0.51 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1mzg h ILE 82 CO 0.03 0.09 0.38 0.00 0.00 0.00 0.00 178.15 178.64 1mzg h ALA 83 N 1.18 1.17 -0.42 1.87 0.00 -0.65 -1.81 119.26 120.60 1mzg h ALA 83 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1mzg h ALA 83 Cb 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1mzg h ALA 83 CO -0.08 0.63 0.27 0.28 0.00 0.00 0.00 179.25 180.35 1mzg h VAL 84 N 1.13 1.09 -0.40 0.00 2.07 -0.60 -0.72 116.25 118.82 1mzg h VAL 84 Ca 0.27 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1mzg h VAL 84 Cb 0.12 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1mzg h VAL 84 CO -0.03 0.10 -0.06 0.58 0.02 0.00 0.00 177.57 178.18 1mzg h VAL 85 N 0.55 1.24 -0.59 2.57 2.07 -1.10 -2.24 116.25 118.75 1mzg h VAL 85 Ca 0.16 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1mzg h VAL 85 Cb -0.04 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1mzg h VAL 85 CO -0.05 0.35 0.19 -0.26 0.02 0.00 0.00 177.57 177.82 1mzg h PHE 86 N 0.62 0.95 0.18 1.57 -1.00 -0.85 -1.10 116.94 117.30 1mzg h PHE 86 Ca 0.12 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1mzg h PHE 86 Cb 0.48 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.76 1mzg h PHE 86 CO 0.02 0.78 -0.09 0.82 -1.61 0.00 0.00 178.31 178.24 1mzg h ILE 87 N 0.84 0.83 -0.50 -0.55 2.04 -0.84 -0.58 117.51 118.74 1mzg h ILE 87 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 1mzg h ILE 87 Cb 0.28 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1mzg h ILE 87 CO -0.01 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.40 1mzg h LEU 88 N -0.24 0.53 -2.65 1.44 -0.00 -1.22 -2.21 115.31 110.97 1mzg h LEU 88 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1mzg h LEU 88 Cb 0.18 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1mzg h LEU 88 CO 0.04 0.38 0.00 -1.22 -0.00 0.00 0.00 178.44 177.64 1mzg n TYR 89 N -4.47 1.19 -2.01 1.13 4.01 -0.43 -4.99 117.16 111.59 1mzg n TYR 89 Ca 0.05 -0.50 -0.41 0.00 -0.16 0.00 0.00 57.90 56.88 1mzg n TYR 89 Cb 0.09 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1mzg n TYR 89 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1mzg s ASP 90 N -0.88 6.65 -0.33 7.72 3.68 -0.25 -4.94 116.67 128.31 1mzg s ASP 90 Ca 0.44 2.70 -0.04 0.00 2.13 0.00 0.00 52.55 57.78 1mzg s ASP 90 Cb 0.27 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 39.12 1mzg s ASP 90 CO 0.24 -0.69 0.14 0.00 0.13 0.00 0.00 175.17 174.99 1mzg n GLN 91 N 1.97 -3.17 -4.52 4.34 6.02 -1.26 -5.08 117.38 115.68 1mzg n GLN 91 Ca 0.05 2.59 -0.25 0.00 -0.01 0.00 0.00 57.00 59.39 1mzg n GLN 91 Cb 0.40 -5.31 -0.11 0.00 1.02 0.00 0.00 30.24 26.24 1mzg n GLN 91 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1mzg s THR 93 N -1.83 1.80 0.17 5.09 -4.23 -1.26 -4.99 115.64 110.38 1mzg s THR 93 Ca 0.06 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 1mzg s THR 93 Cb -0.02 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.14 1mzg s THR 93 CO 0.76 -0.12 1.76 -0.65 -0.54 0.00 0.00 174.62 175.83 1mzg h PRO 94 N 2.02 0.33 -0.40 3.99 0.11 -1.88 -1.90 132.00 134.27 1mzg h PRO 94 Ca -0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1mzg h PRO 94 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1mzg h PRO 94 CO 0.73 0.22 0.20 0.37 -0.21 0.00 0.00 178.00 179.30 1mzg h GLN 95 N 0.33 0.55 -0.47 1.05 5.75 -1.94 -1.78 115.11 118.59 1mzg h GLN 95 Ca 0.20 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1mzg h GLN 95 Cb 0.17 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1mzg h GLN 95 CO -0.19 0.42 -0.03 -0.44 -2.65 0.00 0.00 178.83 175.94 1mzg h ASP 96 N 0.55 0.78 -0.54 -0.69 3.32 -1.79 -2.22 116.42 115.85 1mzg h ASP 96 Ca 0.14 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 1mzg h ASP 96 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1mzg h ASP 96 CO -0.02 0.87 -0.01 0.40 -1.72 0.00 0.00 179.24 178.75 1mzg h ILE 97 N 0.75 1.26 -0.78 0.35 2.04 -0.80 -1.92 117.51 118.41 1mzg h ILE 97 Ca 0.14 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1mzg h ILE 97 Cb 0.50 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1mzg h ILE 97 CO 0.03 0.40 0.36 0.58 0.00 0.00 0.00 178.15 179.52 1mzg h VAL 98 N 0.83 1.25 -0.07 1.67 2.07 -1.11 -2.94 116.25 117.95 1mzg h VAL 98 Ca 0.15 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1mzg h VAL 98 Cb 0.55 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1mzg h VAL 98 CO 0.03 0.31 0.00 -0.46 0.02 0.00 0.00 177.57 177.47 1mzg n ASN 99 N -4.35 2.25 -4.64 0.57 0.23 -0.86 -4.85 115.26 103.62 1mzg n ASN 99 Ca 0.07 -1.75 -0.43 0.00 -0.53 0.00 0.00 54.58 51.94 1mzg n ASN 99 Cb 0.15 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 37.79 1mzg n ASN 99 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1mzg s PHE 100 N -1.93 2.90 -0.54 -2.53 5.36 -0.73 -4.99 117.98 115.52 1mzg s PHE 100 Ca 0.34 1.02 -0.24 0.00 -0.96 0.00 0.00 56.93 57.09 1mzg s PHE 100 Cb 0.20 -3.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.14 1mzg s PHE 100 CO 0.31 -1.31 0.91 0.34 -1.46 0.00 0.00 175.22 174.01 1mzg s ASP 101 N 2.23 6.35 0.21 6.13 2.15 -1.26 -4.88 116.67 127.59 1mzg s ASP 101 Ca 0.51 -0.35 0.24 0.00 0.43 0.00 0.00 52.55 53.39 1mzg s ASP 101 Cb -0.15 -2.42 0.47 0.00 -0.30 0.00 0.00 42.92 40.51 1mzg s ASP 101 CO 0.19 -1.18 1.50 -0.37 -0.17 0.00 0.00 175.17 175.14 1mzg h VAL 102 N 6.01 0.00 -0.73 1.11 -1.51 -1.96 -3.39 116.25 115.79 1mzg h VAL 102 Ca -0.26 -0.63 0.14 0.00 -1.23 0.00 0.00 66.70 64.72 1mzg h VAL 102 Cb 1.08 1.42 -0.14 0.00 -2.13 0.00 0.00 31.29 31.51 1mzg h VAL 102 CO 1.07 0.00 -0.25 -0.09 -1.23 0.00 0.00 177.57 177.07 1mzg h ARG 103 N 0.00 -0.05 -0.03 5.19 9.65 -2.00 -0.12 114.38 127.03 1mzg h ARG 103 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1mzg h ARG 103 Cb 0.81 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1mzg h ARG 103 CO 0.00 -0.03 0.01 -1.00 2.80 0.00 0.00 179.97 181.75 1mzg h PRO 104 N -0.05 0.03 -0.29 0.20 0.13 -2.00 -0.20 132.00 129.82 1mzg h PRO 104 Ca 0.33 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.36 1mzg h PRO 104 Cb 0.56 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1mzg h PRO 104 CO -0.77 0.03 -0.17 -1.49 -0.23 0.00 0.00 178.00 175.37 1mzg h TRP 105 N 0.03 0.73 -0.13 1.56 4.06 -1.30 -2.33 115.95 118.58 1mzg h TRP 105 Ca 0.01 -0.19 -0.10 0.00 2.06 0.00 0.00 58.89 60.67 1mzg h TRP 105 Cb 0.01 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 1mzg h TRP 105 CO 0.00 0.88 -0.35 0.74 -3.56 0.00 0.00 178.44 176.15 1mzg h PHE 106 N 0.37 0.30 -0.29 0.49 0.04 -0.98 -2.93 116.94 113.94 1mzg h PHE 106 Ca 0.06 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1mzg h PHE 106 Cb 0.71 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1mzg h PHE 106 CO 0.06 0.59 0.09 0.93 -0.60 0.00 0.00 178.31 179.38 1mzg h GLU 107 N 0.23 0.45 -1.92 1.51 5.08 -0.96 -0.62 114.58 118.35 1mzg h GLU 107 Ca 0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1mzg h GLU 107 Cb 0.73 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1mzg h GLU 107 CO 0.06 0.50 0.00 1.17 -1.00 0.00 0.00 179.01 179.74 1mzg n LYS 108 N -4.71 0.09 0.00 2.33 3.00 -0.88 -4.68 118.16 113.30 1mzg n LYS 108 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1mzg n LYS 108 Cb 0.16 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1mzg n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mzg n ALA 110 N 1.02 0.00 0.08 3.14 0.00 -0.24 -5.02 120.51 119.48 1mzg n ALA 110 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1mzg n ALA 110 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 1mzg n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1mzg h LEU 111 N 0.00 -0.30 -2.82 0.00 4.07 -1.82 -2.65 115.31 111.79 1mzg h LEU 111 Ca 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1mzg h LEU 111 Cb 0.00 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1mzg h LEU 111 CO 0.00 -0.16 -0.00 0.71 -1.08 0.00 0.00 178.44 177.91 1mzg h THR 112 N -0.22 0.17 0.00 0.22 1.35 -1.90 -0.66 112.91 111.87 1mzg h THR 112 Ca 0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1mzg h THR 112 Cb 0.23 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1mzg h THR 112 CO -0.06 0.00 -0.49 1.56 -0.25 0.00 0.00 175.52 176.28 1mzg h GLN 113 N 0.00 0.00 0.00 4.72 7.50 -1.88 -3.38 115.11 122.08 1mzg h GLN 113 Ca -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1mzg h GLN 113 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1mzg h GLN 113 CO 0.00 0.00 -1.29 0.72 -1.50 0.00 0.00 178.83 176.76 1mzg n HIS 114 N -2.27 0.00 -3.01 2.96 8.25 -0.38 -5.04 115.22 115.74 1mzg n HIS 114 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 1mzg n HIS 114 Cb 0.45 -0.15 0.01 0.00 1.12 0.00 0.00 29.99 31.43 1mzg n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mzg s LEU 115 N -3.48 3.67 0.71 2.41 1.43 -0.46 -5.07 118.68 117.89 1mzg s LEU 115 Ca -0.02 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1mzg s LEU 115 Cb 0.04 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1mzg s LEU 115 CO 0.26 -0.68 1.09 0.42 0.23 0.00 0.00 176.35 177.67 1mzg s THR 116 N -2.54 3.39 0.27 5.49 -4.23 -1.26 -4.80 115.64 111.95 1mzg s THR 116 Ca 0.48 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1mzg s THR 116 Cb -0.10 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 70.95 1mzg s THR 116 CO 0.38 -0.50 1.91 -0.65 -0.54 0.00 0.00 174.62 175.22 1mzg h PRO 117 N -0.52 1.18 -0.84 3.99 0.11 -1.98 -1.20 132.00 132.74 1mzg h PRO 117 Ca -0.45 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1mzg h PRO 117 Cb 1.23 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1mzg h PRO 117 CO 0.53 0.78 0.51 1.03 -0.21 0.00 0.00 178.00 180.65 1mzg h SER 118 N 1.22 1.00 -0.27 -2.05 0.87 -1.99 -0.19 113.55 112.13 1mzg h SER 118 Ca 0.39 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1mzg h SER 118 Cb 0.03 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1mzg h SER 118 CO -0.13 0.77 0.08 -0.09 -0.53 0.00 0.00 176.83 176.92 1mzg h ARG 119 N 1.15 0.42 -0.53 2.24 9.65 -1.62 -1.50 114.38 124.19 1mzg h ARG 119 Ca 0.30 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 59.09 1mzg h ARG 119 Cb -0.06 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1mzg h ARG 119 CO -0.06 0.50 0.35 0.77 2.80 0.00 0.00 179.97 184.34 1mzg h SER 120 N 0.27 0.61 -0.37 -3.80 0.02 -0.86 -0.72 113.55 108.70 1mzg h SER 120 Ca 0.09 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1mzg h SER 120 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1mzg h SER 120 CO -0.00 0.44 -0.25 1.56 -1.14 0.00 0.00 176.83 177.44 1mzg h GLN 121 N 0.71 0.88 -0.70 3.45 4.20 -0.71 -1.32 115.11 121.63 1mzg h GLN 121 Ca 0.20 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1mzg h GLN 121 Cb -0.07 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1mzg h GLN 121 CO -0.04 1.03 0.27 0.78 -0.67 0.00 0.00 178.83 180.20 1mzg h GLY 122 N 0.91 1.12 1.10 3.46 0.00 -0.26 0.43 103.07 109.84 1mzg h GLY 122 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1mzg h GLY 122 CO 0.07 0.58 0.38 -2.00 0.00 0.00 0.00 176.54 175.57 1mzg h LEU 123 N 0.99 1.05 -0.63 3.11 5.85 -0.86 -2.54 115.31 122.28 1mzg h LEU 123 Ca 0.23 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1mzg h LEU 123 Cb 0.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1mzg h LEU 123 CO -0.02 0.89 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.41 1mzg h GLU 124 N 1.15 0.83 -0.42 1.25 5.08 -0.69 -2.45 114.58 119.33 1mzg h GLU 124 Ca 0.28 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1mzg h GLU 124 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mzg h GLU 124 CO -0.03 0.98 0.00 0.00 -1.00 0.00 0.00 179.01 178.95 1mzg n ALA 125 N -2.51 1.11 0.00 3.43 0.00 0.09 -0.98 120.51 121.65 1mzg n ALA 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mzg n ALA 125 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1mzg n ALA 125 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1mzg n ILE 127 N 0.61 0.00 -0.25 0.00 5.41 -0.92 -0.39 119.36 123.81 1mzg n ILE 127 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1mzg n ILE 127 Cb 0.00 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.04 1mzg n ILE 127 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1mzg h ARG 128 N 0.00 0.76 -0.65 0.38 2.43 -1.34 -0.18 114.38 115.78 1mzg h ARG 128 Ca 0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1mzg h ARG 128 Cb 0.00 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1mzg h ARG 128 CO 0.00 0.50 0.16 0.00 -1.51 0.00 0.00 179.97 179.12 1mzg h ALA 129 N 1.36 0.85 -0.25 2.80 0.00 -0.97 0.16 119.26 123.21 1mzg h ALA 129 Ca 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1mzg h ALA 129 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mzg h ALA 129 CO -0.17 0.56 0.01 0.82 0.00 0.00 0.00 179.25 180.46 1mzg h ILE 130 N 0.95 1.25 -0.92 0.00 2.04 -1.61 -2.23 117.51 116.99 1mzg h ILE 130 Ca 0.20 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1mzg h ILE 130 Cb 0.35 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1mzg h ILE 130 CO 0.00 0.28 0.55 0.03 0.00 0.00 0.00 178.15 179.01 1mzg h ARG 131 N 0.22 1.25 -0.38 2.37 3.08 -0.99 -0.95 114.38 118.97 1mzg h ARG 131 Ca 0.07 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1mzg h ARG 131 Cb 0.39 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1mzg h ARG 131 CO 0.01 0.88 0.17 0.00 -1.07 0.00 0.00 179.97 179.96 1mzg h ALA 132 N 1.34 0.47 -0.77 0.04 0.00 -0.72 0.31 119.26 119.93 1mzg h ALA 132 Ca 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1mzg h ALA 132 Cb -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1mzg h ALA 132 CO -0.06 -0.20 0.26 0.87 0.00 0.00 0.00 179.25 180.12 1mzg h LYS 133 N 0.35 1.18 -0.36 0.00 1.57 -1.03 -0.63 116.57 117.65 1mzg h LYS 133 Ca 0.17 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 1mzg h LYS 133 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1mzg h LYS 133 CO -0.14 0.98 -0.29 0.00 -0.57 0.00 0.00 179.45 179.43 1mzg h ALA 134 N 1.14 0.80 -0.37 3.86 0.00 -0.69 -2.98 119.26 121.01 1mzg h ALA 134 Ca 0.25 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1mzg h ALA 134 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1mzg h ALA 134 CO -0.01 0.65 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 1mzg h ALA 135 N 1.01 0.80 0.00 0.00 0.00 -0.00 -2.48 119.26 118.59 1mzg h ALA 135 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mzg h ALA 135 Cb 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1mzg h ALA 135 CO 0.07 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1mzg h ALA 136 N 1.01 1.00 0.00 0.00 0.00 -1.01 0.38 119.26 120.65 1mzg h ALA 136 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1mzg h ALA 136 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mzg h ALA 136 CO 0.07 0.00 -1.18 1.28 0.00 0.00 0.00 179.25 179.42 1mzg n LEU 137 N -2.51 0.70 0.00 0.00 4.77 -0.97 -4.64 117.00 114.35 1mzg n LEU 137 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1mzg n LEU 137 Cb 0.16 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1mzg n LEU 137 CO 0.18 0.16 -0.08 -1.54 -1.33 0.00 0.00 177.39 174.77 1mzg n SER 138 N -1.73 0.84 -4.60 -1.43 3.41 -0.67 -4.98 113.62 104.45 1mzg n SER 138 Ca 0.02 -0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.11 1mzg n SER 138 Cb 0.40 0.52 0.10 0.00 -0.26 0.00 0.00 64.21 64.96 1mzg n SER 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mzg n LEU 139 N -0.60 3.17 -4.72 1.04 -0.00 0.13 -4.96 117.00 111.06 1mzg n LEU 139 Ca 0.00 0.61 -0.40 0.00 -0.00 0.00 0.00 56.01 56.22 1mzg n LEU 139 Cb 0.00 -1.40 -0.04 0.00 -0.00 0.00 0.00 43.42 41.98 1mzg n LEU 139 CO 0.00 -2.19 0.47 -1.61 -0.00 0.00 0.00 177.39 174.06 1mzg s GLU 140 N -3.51 4.47 -1.10 1.47 0.41 -1.26 -4.98 118.70 114.20 1mzg s GLU 140 Ca 0.71 1.02 -0.11 0.00 -0.41 0.00 0.00 54.97 56.19 1mzg s GLU 140 Cb -0.32 -3.44 0.25 0.00 -1.78 0.00 0.00 34.13 28.84 1mzg s GLU 140 CO 0.53 0.07 1.14 -1.01 -0.49 0.00 0.00 175.26 175.50 1mzg s HIS 141 N 0.72 4.07 0.20 1.61 3.76 -1.26 -5.02 115.29 119.36 1mzg s HIS 141 Ca 0.41 -2.51 -0.32 0.00 -0.15 0.00 0.00 55.06 52.49 1mzg s HIS 141 Cb -0.19 -3.93 -0.15 0.00 1.11 0.00 0.00 32.58 29.42 1mzg s HIS 141 CO 0.21 -1.04 1.13 0.72 -0.85 0.00 0.00 174.74 174.91 1mzg n HIS 142 N 3.41 1.29 0.25 1.40 -0.00 -1.26 -4.88 115.22 115.44 1mzg n HIS 142 Ca 0.25 0.68 0.11 0.00 -0.00 0.00 0.00 57.72 58.76 1mzg n HIS 142 Cb 0.41 -2.27 0.66 0.00 -0.00 0.00 0.00 29.99 28.78 1mzg n HIS 142 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1mzg h HIS 143 N 3.10 0.00 0.00 4.41 2.76 -2.02 -1.49 115.15 121.92 1mzg h HIS 143 Ca -0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 1mzg h HIS 143 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1mzg h HIS 143 CO 0.53 0.15 0.00 -2.39 -1.30 0.00 0.00 177.93 174.92 1mzg n HIS 144 N -3.73 0.42 1.03 5.26 1.44 -1.26 -2.39 115.22 116.00 1mzg n HIS 144 Ca -0.02 0.15 0.11 0.00 -2.01 0.00 0.00 57.72 55.95 1mzg n HIS 144 Cb 0.26 -0.74 0.04 0.00 0.12 0.00 0.00 29.99 29.67 1mzg n HIS 144 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1mzg n HIS 145 N -1.87 0.00 0.71 -1.40 -0.00 -0.57 -5.29 115.22 106.80 1mzg n HIS 145 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.82 1mzg n HIS 145 Cb 0.28 -0.02 0.34 0.00 -0.00 0.00 0.00 29.99 30.59 1mzg n HIS 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06