#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm7 n HIS 11 N 0.00 -1.39 0.03 -0.32 1.44 -1.26 -5.05 115.22 108.67 3dm7 n HIS 11 Ca 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.54 3dm7 n HIS 11 Cb 0.00 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 3dm7 n HIS 11 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dm7 h ALA 12 N -0.35 0.42 -0.69 1.59 0.00 -2.06 -3.31 119.26 114.87 3dm7 h ALA 12 Ca 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 54.91 53.81 3dm7 h ALA 12 Cb 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3dm7 h ALA 12 CO 0.00 1.28 0.48 -0.22 0.00 0.00 0.00 179.25 180.79 3dm7 h LYS 13 N 0.06 0.14 0.05 0.00 3.64 -2.00 0.15 116.57 118.61 3dm7 h LYS 13 Ca -0.32 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 3dm7 h LYS 13 Cb 2.03 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.83 3dm7 h LYS 13 CO 0.12 0.10 -0.34 0.00 -2.27 0.00 0.00 179.45 177.05 3dm7 h ALA 14 N 1.67 -0.03 -0.36 5.00 0.00 -1.98 -3.01 119.26 120.55 3dm7 h ALA 14 Ca 0.33 -0.56 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3dm7 h ALA 14 Cb 1.11 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3dm7 h ALA 14 CO -0.05 0.15 0.26 0.74 0.00 0.00 0.00 179.25 180.36 3dm7 h PHE 15 N -0.67 0.00 -0.01 0.00 0.05 -1.35 -0.81 116.94 114.15 3dm7 h PHE 15 Ca -0.06 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.73 3dm7 h PHE 15 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.18 3dm7 h PHE 15 CO 0.23 0.00 -0.02 -0.07 -0.18 0.00 0.00 178.31 178.27 3dm7 h LEU 16 N 0.00 0.03 -1.40 1.54 3.38 -1.06 -2.12 115.31 115.68 3dm7 h LEU 16 Ca 0.17 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.64 3dm7 h LEU 16 Cb 0.69 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3dm7 h LEU 16 CO -0.00 0.60 0.48 1.23 0.09 0.00 0.00 178.44 180.84 3dm7 h GLY 17 N -0.54 0.93 2.00 0.83 0.00 -1.15 0.26 103.07 105.41 3dm7 h GLY 17 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3dm7 h GLY 17 CO 0.00 0.20 -0.09 1.41 0.00 0.00 0.00 176.54 178.06 3dm7 h LEU 18 N 0.71 0.00 0.05 3.11 3.38 -1.14 -1.73 115.31 119.68 3dm7 h LEU 18 Ca 0.32 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.14 3dm7 h LEU 18 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dm7 h LEU 18 CO -0.11 0.09 -0.60 0.00 0.09 0.00 0.00 178.44 177.91 3dm7 h ALA 19 N 1.91 0.01 -0.07 1.53 0.00 0.18 -2.97 119.26 119.85 3dm7 h ALA 19 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 3dm7 h ALA 19 Cb 0.69 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dm7 h ALA 19 CO 0.01 0.31 -0.42 0.87 0.00 0.00 0.00 179.25 180.02 3dm7 h LYS 20 N -0.28 0.15 -0.62 0.00 1.57 -1.14 -2.82 116.57 113.44 3dm7 h LYS 20 Ca -0.09 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 3dm7 h LYS 20 Cb 1.37 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.65 3dm7 h LYS 20 CO 0.12 0.55 0.23 0.00 -0.57 0.00 0.00 179.45 179.77 3dm7 h GLU 22 N 0.87 0.63 -0.03 0.00 4.81 -1.33 -0.94 114.58 118.58 3dm7 h GLU 22 Ca 0.20 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 3dm7 h GLU 22 Cb 0.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3dm7 h GLU 22 CO -0.01 0.55 -0.66 0.93 -0.73 0.00 0.00 179.01 179.08 3dm7 h GLU 23 N 0.62 0.12 0.00 1.92 5.08 -1.27 -2.21 114.58 118.84 3dm7 h GLU 23 Ca 0.15 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3dm7 h GLU 23 Cb 0.18 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3dm7 h GLU 23 CO -0.01 0.74 -0.53 1.49 -1.00 0.00 0.00 179.01 179.70 3dm7 h GLU 24 N 0.09 0.00 -0.14 2.33 4.81 -0.43 -2.39 114.58 118.84 3dm7 h GLU 24 Ca -0.01 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3dm7 h GLU 24 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3dm7 h GLU 24 CO 0.09 0.53 -0.31 0.28 -0.73 0.00 0.00 179.01 178.87 3dm7 h VAL 25 N 0.00 1.36 -0.63 0.32 2.07 -0.91 -1.99 116.25 116.47 3dm7 h VAL 25 Ca -0.01 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3dm7 h VAL 25 Cb 0.97 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 3dm7 h VAL 25 CO 0.07 0.47 0.29 0.44 0.02 0.00 0.00 177.57 178.86 3dm7 h ASP 26 N 0.07 0.81 -0.23 0.57 3.32 -1.31 -0.79 116.42 118.87 3dm7 h ASP 26 Ca 0.00 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3dm7 h ASP 26 Cb 0.91 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3dm7 h ASP 26 CO 0.07 0.70 -0.35 0.00 -1.72 0.00 0.00 179.24 177.94 3dm7 h ALA 27 N 1.43 0.76 -0.54 3.45 0.00 -1.41 -2.85 119.26 120.10 3dm7 h ALA 27 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3dm7 h ALA 27 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dm7 h ALA 27 CO -0.03 0.65 0.12 0.82 0.00 0.00 0.00 179.25 180.81 3dm7 h ILE 28 N 0.63 1.25 -0.95 0.00 1.08 -0.73 -1.94 117.51 116.84 3dm7 h ILE 28 Ca 0.06 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 3dm7 h ILE 28 Cb 0.88 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 3dm7 h ILE 28 CO 0.08 0.33 0.63 -0.33 -0.69 0.00 0.00 178.15 178.17 3dm7 h GLU 29 N 0.77 1.24 -0.11 2.37 4.39 -1.03 0.43 114.58 122.64 3dm7 h GLU 29 Ca 0.17 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.60 3dm7 h GLU 29 Cb 0.36 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3dm7 h GLU 29 CO 0.00 0.82 -0.74 -0.09 -1.16 0.00 0.00 179.01 177.85 3dm7 h ARG 30 N 1.28 0.54 -0.84 2.33 2.43 -1.34 -1.99 114.38 116.79 3dm7 h ARG 30 Ca 0.35 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3dm7 h ARG 30 Cb -0.13 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3dm7 h ARG 30 CO -0.08 1.06 0.50 0.93 -1.51 0.00 0.00 179.97 180.87 3dm7 h GLU 31 N 0.37 1.15 -0.54 0.20 5.08 -0.78 0.09 114.58 120.15 3dm7 h GLU 31 Ca -0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3dm7 h GLU 31 Cb 1.33 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3dm7 h GLU 31 CO 0.14 0.81 0.14 0.28 -1.00 0.00 0.00 179.01 179.38 3dm7 h VAL 32 N 1.16 1.24 -0.50 3.13 2.07 -0.81 0.78 116.25 123.32 3dm7 h VAL 32 Ca 0.30 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3dm7 h VAL 32 Cb -0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3dm7 h VAL 32 CO -0.05 0.31 0.09 -0.33 0.02 0.00 0.00 177.57 177.61 3dm7 h GLU 33 N 0.76 0.82 -0.52 1.57 5.08 -0.89 -1.25 114.58 120.15 3dm7 h GLU 33 Ca 0.17 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3dm7 h GLU 33 Cb 0.32 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3dm7 h GLU 33 CO -0.00 0.81 0.04 -0.07 -1.00 0.00 0.00 179.01 178.79 3dm7 h LEU 34 N 0.69 0.81 -0.19 1.33 3.38 -0.79 -0.62 115.31 119.92 3dm7 h LEU 34 Ca 0.15 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3dm7 h LEU 34 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dm7 h LEU 34 CO 0.01 0.85 0.10 0.22 0.09 0.00 0.00 178.44 179.70 3dm7 h TYR 35 N 0.79 0.18 0.16 1.13 3.20 -0.52 -0.56 116.97 121.36 3dm7 h TYR 35 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3dm7 h TYR 35 Cb 0.42 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3dm7 h TYR 35 CO 0.02 0.11 -0.08 -0.09 -1.64 0.00 0.00 178.16 176.49 3dm7 h ARG 36 N 0.21 -0.20 -0.71 1.82 2.43 -0.85 -2.28 114.38 114.80 3dm7 h ARG 36 Ca 0.07 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 3dm7 h ARG 36 Cb 0.01 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3dm7 h ARG 36 CO -0.04 -0.09 0.34 -0.07 -1.51 0.00 0.00 179.97 178.59 3dm7 h LEU 37 N -0.26 0.42 -0.93 3.80 3.38 -0.89 -1.74 115.31 119.09 3dm7 h LEU 37 Ca -0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dm7 h LEU 37 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dm7 h LEU 37 CO 0.04 0.23 0.25 0.78 0.09 0.00 0.00 178.44 179.83 3dm7 h ASN 38 N 0.56 0.96 0.00 -0.43 2.35 -1.01 -1.85 115.58 116.16 3dm7 h ASN 38 Ca 0.35 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dm7 h ASN 38 Cb 0.40 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3dm7 h ASN 38 CO -0.29 0.87 0.00 0.29 -1.65 0.00 0.00 177.43 176.65 3dm7 n LYS 39 N -4.28 0.71 0.00 0.81 4.76 -0.65 -4.40 118.16 115.11 3dm7 n LYS 39 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3dm7 n LYS 39 Cb 0.19 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3dm7 n LYS 39 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3dm7 n LYS 41 N 0.38 0.00 0.14 1.97 4.81 -0.70 -4.09 118.16 120.68 3dm7 n LYS 41 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3dm7 n LYS 41 Cb 0.26 0.00 0.32 0.00 0.02 0.00 0.00 35.03 35.63 3dm7 n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3dm7 h PRO 42 N 0.00 0.13 -0.52 1.64 0.13 -1.87 -2.12 132.00 129.38 3dm7 h PRO 42 Ca 0.00 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.00 3dm7 h PRO 42 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 3dm7 h PRO 42 CO 0.00 0.45 -0.00 0.28 -0.23 0.00 0.00 178.00 178.50 3dm7 h VAL 43 N 0.11 1.26 -0.77 1.56 2.07 -1.94 -1.97 116.25 116.58 3dm7 h VAL 43 Ca 0.01 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3dm7 h VAL 43 Cb 0.65 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3dm7 h VAL 43 CO 0.05 0.39 0.33 1.88 0.02 0.00 0.00 177.57 180.24 3dm7 h TYR 44 N 0.80 1.14 -0.55 1.57 0.05 -1.85 0.89 116.97 119.02 3dm7 h TYR 44 Ca 0.15 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3dm7 h TYR 44 Cb 0.53 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 3dm7 h TYR 44 CO 0.04 0.86 0.35 0.93 -1.05 0.00 0.00 178.16 179.29 3dm7 h GLU 45 N 1.10 0.73 -0.30 4.88 5.08 -1.15 0.32 114.58 125.24 3dm7 h GLU 45 Ca 0.26 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.41 3dm7 h GLU 45 Cb 0.18 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3dm7 h GLU 45 CO -0.03 0.50 -0.45 0.87 -1.00 0.00 0.00 179.01 178.91 3dm7 h LYS 46 N 0.74 0.77 -0.22 2.33 1.57 -1.10 -2.59 116.57 118.06 3dm7 h LYS 46 Ca 0.20 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3dm7 h LYS 46 Cb -0.06 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3dm7 h LYS 46 CO -0.04 1.06 0.02 -0.09 -0.57 0.00 0.00 179.45 179.83 3dm7 h ARG 47 N 0.62 0.37 0.00 3.15 2.43 -0.48 -2.76 114.38 117.70 3dm7 h ARG 47 Ca 0.04 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3dm7 h ARG 47 Cb 1.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3dm7 h ARG 47 CO 0.10 0.53 0.00 -0.44 -1.51 0.00 0.00 179.97 178.65 3dm7 h ASP 48 N 0.16 0.00 0.15 -3.80 3.32 -0.33 -1.26 116.42 114.65 3dm7 h ASP 48 Ca 0.06 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 3dm7 h ASP 48 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dm7 h ASP 48 CO 0.01 0.00 -0.77 0.00 -1.72 0.00 0.00 179.24 176.75 3dm7 h ALA 49 N 2.02 0.48 -0.10 3.45 0.00 -1.17 -1.83 119.26 122.13 3dm7 h ALA 49 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 3dm7 h ALA 49 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3dm7 h ALA 49 CO 0.00 0.75 -0.82 1.88 0.00 0.00 0.00 179.25 181.05 3dm7 h TYR 50 N 0.34 0.89 -0.84 0.00 0.05 -1.20 -3.21 116.97 113.01 3dm7 h TYR 50 Ca -0.04 -0.41 -0.01 0.00 0.05 0.00 0.00 58.73 58.31 3dm7 h TYR 50 Cb 1.37 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.94 3dm7 h TYR 50 CO 0.06 1.23 0.48 0.82 -1.05 0.00 0.00 178.16 179.69 3dm7 h ILE 51 N 0.42 1.24 0.00 -2.88 2.04 -1.21 -1.90 117.51 115.22 3dm7 h ILE 51 Ca -0.06 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3dm7 h ILE 51 Cb 1.44 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3dm7 h ILE 51 CO 0.16 0.26 0.00 0.47 0.00 0.00 0.00 178.15 179.04 3dm7 n ASP 52 N -4.35 0.00 -0.81 1.72 8.00 -0.69 -1.02 116.55 119.39 3dm7 n ASP 52 Ca 0.09 0.17 0.08 0.00 0.71 0.00 0.00 54.79 55.84 3dm7 n ASP 52 Cb 0.08 -0.24 0.17 0.00 -0.02 0.00 0.00 41.12 41.11 3dm7 n ASP 52 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dm7 n GLU 53 N -1.24 2.33 -3.90 -1.24 -0.58 -0.71 -4.86 120.64 110.42 3dm7 n GLU 53 Ca 0.02 -2.02 -0.35 0.00 -0.42 0.00 0.00 57.16 54.40 3dm7 n GLU 53 Cb 0.03 -1.35 -0.13 0.00 -0.57 0.00 0.00 31.44 29.42 3dm7 n GLU 53 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3dm7 s ILE 54 N -1.09 2.93 0.35 -3.67 1.01 -0.19 -5.09 121.20 115.46 3dm7 s ILE 54 Ca 0.28 -1.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.02 3dm7 s ILE 54 Cb 0.16 -2.80 -0.11 0.00 0.01 0.00 0.00 42.46 39.72 3dm7 s ILE 54 CO 0.21 -0.27 1.53 0.00 0.00 0.00 0.00 174.94 176.42 3dm7 s ALA 55 N 1.19 3.64 -2.04 9.38 0.00 -1.26 -2.32 121.76 130.35 3dm7 s ALA 55 Ca -0.01 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3dm7 s ALA 55 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3dm7 s ALA 55 CO -0.03 -1.05 0.00 0.39 0.00 0.00 0.00 175.76 175.08 3dm7 n GLU 56 N 1.05 -1.46 -0.01 0.00 1.02 -1.26 -4.87 120.64 115.10 3dm7 n GLU 56 Ca 0.04 1.14 -0.09 0.00 -0.02 0.00 0.00 57.16 58.22 3dm7 n GLU 56 Cb 0.38 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 26.25 3dm7 n GLU 56 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3dm7 h PHE 57 N 0.00 -0.42 -0.36 -0.32 3.57 -1.80 -1.94 116.94 115.67 3dm7 h PHE 57 Ca -0.41 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.05 3dm7 h PHE 57 Cb 1.28 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3dm7 h PHE 57 CO 0.55 -0.23 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.86 3dm7 h TRP 58 N -0.19 0.62 -0.57 0.41 4.06 -1.85 -1.20 115.95 117.22 3dm7 h TRP 58 Ca 0.10 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 3dm7 h TRP 58 Cb 0.34 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 3dm7 h TRP 58 CO -0.29 0.63 0.34 -0.22 -3.56 0.00 0.00 178.44 175.34 3dm7 h LYS 59 N 0.55 0.77 -0.34 0.49 3.64 -1.74 0.55 116.57 120.49 3dm7 h LYS 59 Ca 0.11 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3dm7 h LYS 59 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3dm7 h LYS 59 CO 0.02 0.56 0.03 0.82 -2.27 0.00 0.00 179.45 178.61 3dm7 h ILE 60 N 0.77 1.25 -0.19 2.00 2.04 -1.02 -2.40 117.51 119.96 3dm7 h ILE 60 Ca 0.20 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3dm7 h ILE 60 Cb -0.02 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3dm7 h ILE 60 CO -0.04 0.30 0.10 0.58 0.00 0.00 0.00 178.15 179.09 3dm7 h VAL 61 N 0.41 1.11 0.00 1.67 2.07 -0.93 -1.44 116.25 119.14 3dm7 h VAL 61 Ca 0.10 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3dm7 h VAL 61 Cb 0.39 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3dm7 h VAL 61 CO 0.01 0.11 -0.11 -0.07 0.02 0.00 0.00 177.57 177.53 3dm7 h LEU 62 N 0.20 0.00 0.08 2.57 3.38 -0.85 -2.05 115.31 118.64 3dm7 h LEU 62 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3dm7 h LEU 62 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3dm7 h LEU 62 CO -0.01 0.11 -1.22 0.28 0.09 0.00 0.00 178.44 177.69 3dm7 h SER 63 N 0.00 0.25 0.68 -0.43 0.02 -1.15 -3.29 113.55 109.63 3dm7 h SER 63 Ca -0.00 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 3dm7 h SER 63 Cb 0.22 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3dm7 h SER 63 CO 0.01 1.23 -0.52 -0.61 -1.14 0.00 0.00 176.83 175.80 3dm7 h GLN 64 N 0.04 0.00 -6.76 3.45 5.75 -0.68 -3.44 115.11 113.47 3dm7 h GLN 64 Ca -0.11 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.86 3dm7 h GLN 64 Cb 1.91 0.00 0.08 0.00 1.07 0.00 0.00 27.48 30.54 3dm7 h GLN 64 CO 0.17 0.52 0.94 -1.58 -2.65 0.00 0.00 178.83 176.23 3dm7 s HIS 65 N -3.65 2.78 0.42 3.99 2.46 -0.83 -4.90 115.29 115.56 3dm7 s HIS 65 Ca -0.01 0.61 0.25 0.00 0.47 0.00 0.00 55.06 56.39 3dm7 s HIS 65 Cb 0.12 -4.11 1.37 0.00 -0.13 0.00 0.00 32.58 29.83 3dm7 s HIS 65 CO 0.73 -3.92 2.05 -0.24 -2.47 0.00 0.00 174.74 170.90 3dm7 h VAL 66 N 3.52 0.66 0.00 0.89 3.04 -1.91 -3.35 116.25 119.09 3dm7 h VAL 66 Ca -0.46 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 3dm7 h VAL 66 Cb 1.21 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3dm7 h VAL 66 CO 0.85 0.13 0.00 -1.54 -1.01 0.00 0.00 177.57 176.00 3dm7 n SER 67 N -3.74 0.03 -0.25 3.17 3.41 -1.26 -4.86 113.62 110.12 3dm7 n SER 67 Ca -0.02 -0.29 0.02 0.00 -0.26 0.00 0.00 58.87 58.33 3dm7 n SER 67 Cb 0.24 0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.77 3dm7 n SER 67 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dm7 h PHE 68 N 0.00 -0.27 -0.47 7.33 3.57 -1.87 -0.90 116.94 124.33 3dm7 h PHE 68 Ca 0.00 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.69 3dm7 h PHE 68 Cb 0.01 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3dm7 h PHE 68 CO 0.00 -0.28 0.34 0.00 -2.23 0.00 0.00 178.31 176.13 3dm7 h ALA 69 N 1.71 2.43 0.00 2.41 0.00 -1.82 -1.80 119.26 122.18 3dm7 h ALA 69 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3dm7 h ALA 69 Cb 0.58 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dm7 h ALA 69 CO -0.71 -0.56 0.00 0.09 0.00 0.00 0.00 179.25 178.07 3dm7 n ASN 70 N -4.40 0.00 0.05 0.00 3.02 -0.34 -3.08 115.26 110.51 3dm7 n ASN 70 Ca 0.08 0.47 0.04 0.00 -0.03 0.00 0.00 54.58 55.14 3dm7 n ASN 70 Cb 0.54 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.16 3dm7 n ASN 70 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dm7 n TYR 71 N -1.49 0.89 -4.41 3.10 4.01 -0.68 -4.97 117.16 113.61 3dm7 n TYR 71 Ca 0.04 0.28 -0.27 0.00 -0.16 0.00 0.00 57.90 57.79 3dm7 n TYR 71 Cb 0.19 -1.01 -0.09 0.00 -0.31 0.00 0.00 39.34 38.12 3dm7 n TYR 71 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3dm7 s ILE 72 N -3.08 2.02 0.36 -0.72 -4.36 -1.18 -4.89 121.20 109.36 3dm7 s ILE 72 Ca -0.03 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.30 3dm7 s ILE 72 Cb 0.09 -2.88 -0.10 0.00 1.25 0.00 0.00 42.46 40.82 3dm7 s ILE 72 CO 0.81 0.00 0.88 -0.13 0.24 0.00 0.00 174.94 176.74 3dm7 s ARG 73 N -3.83 4.27 0.27 0.37 1.81 -1.26 -4.96 118.95 115.62 3dm7 s ARG 73 Ca 0.34 1.05 0.00 0.00 -1.72 0.00 0.00 55.73 55.41 3dm7 s ARG 73 Cb 0.06 -2.45 0.59 0.00 -0.45 0.00 0.00 34.95 32.70 3dm7 s ARG 73 CO 0.18 0.12 1.75 0.00 -0.68 0.00 0.00 175.30 176.68 3dm7 h ALA 74 N 2.43 1.34 0.00 2.13 0.00 -1.98 0.90 119.26 124.08 3dm7 h ALA 74 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3dm7 h ALA 74 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dm7 h ALA 74 CO 0.63 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.40 3dm7 h SER 75 N 0.58 0.00 0.59 0.00 4.64 -2.02 -2.97 113.55 114.37 3dm7 h SER 75 Ca 0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.73 3dm7 h SER 75 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3dm7 h SER 75 CO -0.40 0.00 -0.41 0.44 -0.87 0.00 0.00 176.83 175.59 3dm7 h ASP 76 N 0.00 0.00 -0.73 4.97 3.32 -1.19 -3.29 116.42 119.50 3dm7 h ASP 76 Ca 0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3dm7 h ASP 76 Cb 0.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3dm7 h ASP 76 CO 0.00 0.41 0.49 -0.26 -1.72 0.00 0.00 179.24 178.16 3dm7 h PHE 77 N 0.00 0.37 0.00 4.55 0.04 -1.61 0.03 116.94 120.31 3dm7 h PHE 77 Ca -0.00 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3dm7 h PHE 77 Cb 0.82 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3dm7 h PHE 77 CO 0.00 0.14 -0.26 1.57 -0.60 0.00 0.00 178.31 179.16 3dm7 h LYS 78 N 0.31 0.00 -1.37 1.51 2.10 -1.81 0.37 116.57 117.68 3dm7 h LYS 78 Ca 0.36 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.90 3dm7 h LYS 78 Cb 0.95 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.23 3dm7 h LYS 78 CO -0.09 0.26 0.13 0.66 -2.00 0.00 0.00 179.45 178.41 3dm7 n TYR 79 N -4.11 0.55 0.00 0.07 4.01 -0.01 -3.88 117.16 113.80 3dm7 n TYR 79 Ca -0.02 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.70 3dm7 n TYR 79 Cb 0.32 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 3dm7 n TYR 79 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3dm7 n ASP 81 N 0.60 0.00 -0.41 7.72 8.00 0.12 -4.09 116.55 128.49 3dm7 n ASP 81 Ca 0.11 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.70 3dm7 n ASP 81 Cb 0.63 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 42.08 3dm7 n ASP 81 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dm7 n THR 82 N 0.00 0.19 -2.25 -3.53 -2.24 -1.25 -4.82 114.28 100.38 3dm7 n THR 82 Ca 0.00 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 3dm7 n THR 82 Cb 0.00 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 3dm7 n THR 82 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dm7 s ILE 83 N -1.81 3.97 -0.16 2.28 1.01 -1.26 -0.54 121.20 124.69 3dm7 s ILE 83 Ca 0.28 1.16 0.22 0.00 0.00 0.00 0.00 60.65 62.31 3dm7 s ILE 83 Cb 0.15 -3.81 -0.28 0.00 0.01 0.00 0.00 42.46 38.52 3dm7 s ILE 83 CO 0.22 -0.17 0.60 0.47 0.00 0.00 0.00 174.94 176.06 3dm7 n ASP 84 N 7.16 0.21 -3.63 3.58 8.00 -0.02 -4.66 116.55 127.19 3dm7 n ASP 84 Ca 0.16 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.47 3dm7 n ASP 84 Cb 0.44 1.69 -0.07 0.00 -0.02 0.00 0.00 41.12 43.16 3dm7 n ASP 84 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dm7 s LYS 85 N -3.44 0.74 -0.05 -1.24 2.20 -1.23 -4.92 119.74 111.79 3dm7 s LYS 85 Ca -0.05 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 3dm7 s LYS 85 Cb 0.14 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.83 3dm7 s LYS 85 CO 0.89 -0.09 -0.10 0.42 -0.36 0.00 0.00 175.35 176.10 3dm7 s ILE 86 N 0.30 0.97 -0.04 5.43 1.01 -1.26 -1.63 121.20 125.98 3dm7 s ILE 86 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3dm7 s ILE 86 Cb -0.05 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.55 3dm7 s ILE 86 CO -0.01 0.31 0.02 -0.75 0.00 0.00 0.00 174.94 174.52 3dm7 s LYS 87 N 0.59 0.24 -0.13 2.79 2.47 -0.39 -4.98 119.74 120.32 3dm7 s LYS 87 Ca -0.11 0.19 -0.02 0.00 -1.56 0.00 0.00 55.97 54.47 3dm7 s LYS 87 Cb -0.14 -0.61 -0.03 0.00 -1.46 0.00 0.00 37.83 35.59 3dm7 s LYS 87 CO 0.02 -0.25 -0.06 0.08 0.16 0.00 0.00 175.35 175.31 3dm7 s VAL 88 N 1.67 3.73 -0.07 4.02 1.01 -1.26 -0.36 120.40 129.14 3dm7 s VAL 88 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3dm7 s VAL 88 Cb -0.13 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3dm7 s VAL 88 CO -0.03 0.52 -0.16 -1.61 0.00 0.00 0.00 175.10 173.82 3dm7 s GLU 89 N 0.10 1.99 -0.25 2.72 2.02 -0.46 -4.97 118.70 119.84 3dm7 s GLU 89 Ca -0.02 -0.55 -0.22 0.00 0.02 0.00 0.00 54.97 54.20 3dm7 s GLU 89 Cb -0.14 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 3dm7 s GLU 89 CO 0.03 0.11 0.71 -1.58 0.02 0.00 0.00 175.26 174.55 3dm7 s TRP 90 N 0.46 3.29 0.38 1.61 0.51 -1.26 -0.81 118.94 123.11 3dm7 s TRP 90 Ca -0.13 0.93 0.32 0.00 -2.12 0.00 0.00 56.10 55.10 3dm7 s TRP 90 Cb -0.15 -2.94 1.59 0.00 -0.81 0.00 0.00 33.47 31.16 3dm7 s TRP 90 CO 0.04 -0.37 2.10 -0.07 -0.51 0.00 0.00 176.95 178.15 3dm7 h LEU 91 N 9.05 0.00 -2.45 2.99 3.38 -1.59 -2.62 115.31 124.07 3dm7 h LEU 91 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3dm7 h LEU 91 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3dm7 h LEU 91 CO 0.82 0.08 -0.01 0.00 0.09 0.00 0.00 178.44 179.41 3dm7 h ALA 92 N 1.92 1.06 0.00 1.53 0.00 -1.75 0.16 119.26 122.18 3dm7 h ALA 92 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dm7 h ALA 92 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dm7 h ALA 92 CO 0.01 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.21 3dm7 h LEU 93 N 0.00 0.00 0.02 0.00 3.38 -1.85 -3.11 115.31 113.75 3dm7 h LEU 93 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3dm7 h LEU 93 Cb 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3dm7 h LEU 93 CO 0.00 0.00 -1.84 -0.62 0.09 0.00 0.00 178.44 176.07 3dm7 n GLU 94 N -2.78 0.66 -3.62 1.13 -0.58 0.53 -4.99 120.64 110.99 3dm7 n GLU 94 Ca 0.02 0.25 -0.11 0.00 -0.42 0.00 0.00 57.16 56.91 3dm7 n GLU 94 Cb 0.34 -1.74 -0.07 0.00 -0.57 0.00 0.00 31.44 29.40 3dm7 n GLU 94 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3dm7 s SER 95 N -6.15 -0.50 -0.67 1.62 0.15 -1.03 -5.08 113.70 102.04 3dm7 s SER 95 Ca -0.08 0.90 -0.06 0.00 0.70 0.00 0.00 55.95 57.40 3dm7 s SER 95 Cb 0.08 0.89 -0.06 0.00 -1.71 0.00 0.00 66.02 65.22 3dm7 s SER 95 CO 0.81 -0.22 1.82 -1.84 1.20 0.00 0.00 173.24 175.02 3dm7 n GLU 96 N 2.03 1.50 0.00 5.44 0.28 -1.26 -4.36 120.64 124.27 3dm7 n GLU 96 Ca -0.13 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 3dm7 n GLU 96 Cb 0.56 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 31.04 3dm7 n GLU 96 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3dm7 n TYR 98 N 4.78 0.00 -2.42 -1.84 4.01 -1.26 -5.05 117.16 115.39 3dm7 n TYR 98 Ca 0.35 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.73 3dm7 n TYR 98 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.14 3dm7 n TYR 98 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dm7 s ASP 99 N 0.00 6.22 0.06 7.72 -1.08 -1.26 -4.60 116.67 123.73 3dm7 s ASP 99 Ca 0.00 2.08 0.11 0.00 -0.52 0.00 0.00 52.55 54.22 3dm7 s ASP 99 Cb 0.00 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 3dm7 s ASP 99 CO 0.00 -0.87 1.34 0.35 0.52 0.00 0.00 175.17 176.51 3dm7 n THR 100 N -0.81 1.37 0.98 1.71 -2.24 -1.26 -1.18 114.28 112.86 3dm7 n THR 100 Ca 0.09 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.39 3dm7 n THR 100 Cb 0.51 -1.29 0.30 0.00 -2.10 0.00 0.00 70.33 67.75 3dm7 n THR 100 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dm7 n ARG 101 N -1.66 0.01 -2.55 -0.78 1.74 -1.26 -4.83 116.66 107.32 3dm7 n ARG 101 Ca 0.01 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 3dm7 n ARG 101 Cb 0.10 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 3dm7 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dm7 s ASP 102 N -3.04 7.35 0.16 0.55 1.01 -0.32 -4.90 116.67 117.47 3dm7 s ASP 102 Ca 0.11 2.12 -0.17 0.00 0.71 0.00 0.00 52.55 55.32 3dm7 s ASP 102 Cb 0.18 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.53 3dm7 s ASP 102 CO 0.68 -0.12 0.47 0.72 0.21 0.00 0.00 175.17 177.13 3dm7 s PHE 103 N -0.73 -0.17 0.11 4.23 -0.12 -0.32 -1.56 117.98 119.40 3dm7 s PHE 103 Ca 0.46 -0.15 0.09 0.00 -0.05 0.00 0.00 56.93 57.28 3dm7 s PHE 103 Cb -0.29 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 3dm7 s PHE 103 CO 0.36 -0.81 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.00 3dm7 s SER 104 N -2.84 3.82 -0.07 1.98 1.04 0.01 -0.47 113.70 117.18 3dm7 s SER 104 Ca 0.06 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.94 3dm7 s SER 104 Cb 0.00 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 65.62 3dm7 s SER 104 CO -0.08 0.19 -0.07 -0.51 0.98 0.00 0.00 173.24 173.75 3dm7 s ILE 105 N -1.10 0.84 -0.14 -1.02 2.07 0.47 -1.36 121.20 120.96 3dm7 s ILE 105 Ca 0.17 -0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3dm7 s ILE 105 Cb -0.10 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 3dm7 s ILE 105 CO 0.09 0.31 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.47 3dm7 s THR 106 N 1.11 3.59 -0.05 4.00 2.01 0.51 -0.94 115.64 125.87 3dm7 s THR 106 Ca -0.07 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3dm7 s THR 106 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 3dm7 s THR 106 CO -0.01 0.51 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.86 3dm7 s PHE 107 N 0.25 2.51 -0.19 4.92 0.08 0.73 -1.27 117.98 125.03 3dm7 s PHE 107 Ca -0.05 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 3dm7 s PHE 107 Cb -0.14 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3dm7 s PHE 107 CO 0.04 -0.07 -0.14 -1.58 -0.10 0.00 0.00 175.22 173.37 3dm7 s HIS 108 N -0.37 2.83 -0.17 0.36 5.65 -0.65 -0.68 115.29 122.27 3dm7 s HIS 108 Ca 0.03 -1.27 -0.05 0.00 0.25 0.00 0.00 55.06 54.02 3dm7 s HIS 108 Cb -0.12 -1.97 -0.03 0.00 -1.18 0.00 0.00 32.58 29.28 3dm7 s HIS 108 CO 0.02 -0.64 0.01 -0.06 -0.65 0.00 0.00 174.74 173.42 3dm7 s PHE 109 N 1.22 3.11 -1.04 3.88 0.08 0.68 -0.84 117.98 125.07 3dm7 s PHE 109 Ca 0.02 -0.17 0.29 0.00 0.12 0.00 0.00 56.93 57.19 3dm7 s PHE 109 Cb -0.14 -2.02 1.23 0.00 -0.57 0.00 0.00 43.02 41.52 3dm7 s PHE 109 CO -0.07 0.01 1.92 -2.39 -0.10 0.00 0.00 175.22 174.60 3dm7 n HIS 110 N 3.63 0.00 -0.39 0.36 1.44 0.29 -1.37 115.22 119.19 3dm7 n HIS 110 Ca -0.17 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.59 3dm7 n HIS 110 Cb 0.52 -0.47 -0.01 0.00 0.12 0.00 0.00 29.99 30.15 3dm7 n HIS 110 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dm7 n GLY 111 N 1.48 -1.61 2.83 -1.39 0.00 -1.26 -4.23 105.19 101.01 3dm7 n GLY 111 Ca 0.08 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 3dm7 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dm7 s ILE 112 N -1.58 0.63 -0.03 -0.61 1.01 0.15 -4.92 121.20 115.85 3dm7 s ILE 112 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 60.65 60.23 3dm7 s ILE 112 Cb 0.00 -0.72 -0.15 0.00 0.01 0.00 0.00 42.46 41.60 3dm7 s ILE 112 CO 0.00 0.30 1.58 1.21 0.00 0.00 0.00 174.94 178.03 3dm7 n GLU 113 N 4.95 1.51 -0.97 2.79 4.07 -1.26 -0.71 120.64 131.03 3dm7 n GLU 113 Ca -0.11 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 3dm7 n GLU 113 Cb 0.50 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 3dm7 n GLU 113 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dm7 n GLY 114 N 3.45 0.75 0.51 8.31 0.00 -1.26 -4.76 105.19 112.20 3dm7 n GLY 114 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3dm7 n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dm7 n ASP 115 N -0.03 0.00 -3.82 1.61 2.03 -0.31 -4.86 116.55 111.17 3dm7 n ASP 115 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 3dm7 n ASP 115 Cb 0.02 0.01 -0.17 0.00 -0.72 0.00 0.00 41.12 40.26 3dm7 n ASP 115 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3dm7 s PHE 116 N -1.25 0.66 0.31 -0.67 5.36 0.12 -0.53 117.98 121.97 3dm7 s PHE 116 Ca 0.00 -0.17 -0.28 0.00 -0.96 0.00 0.00 56.93 55.52 3dm7 s PHE 116 Cb 0.00 -0.71 -0.09 0.00 -0.34 0.00 0.00 43.02 41.87 3dm7 s PHE 116 CO 0.00 -0.26 1.13 0.21 -1.46 0.00 0.00 175.22 174.84 3dm7 s LYS 117 N 1.51 4.49 0.06 10.12 2.20 -1.26 0.30 119.74 137.16 3dm7 s LYS 117 Ca -0.02 1.84 -0.31 0.00 -0.36 0.00 0.00 55.97 57.13 3dm7 s LYS 117 Cb -0.13 -3.06 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 3dm7 s LYS 117 CO -0.03 0.06 1.39 -2.00 -0.36 0.00 0.00 175.35 174.42 3dm7 s GLU 118 N -1.68 4.31 0.10 4.03 2.12 -1.26 -4.32 118.70 121.99 3dm7 s GLU 118 Ca 0.48 2.02 -0.25 0.00 0.36 0.00 0.00 54.97 57.58 3dm7 s GLU 118 Cb -0.32 -3.40 0.08 0.00 0.26 0.00 0.00 34.13 30.74 3dm7 s GLU 118 CO 0.41 -0.49 0.68 1.14 -0.54 0.00 0.00 175.26 176.46 3dm7 s GLN 119 N 1.70 1.15 -0.11 4.30 -2.07 -0.47 -4.95 119.66 119.21 3dm7 s GLN 119 Ca 0.64 -0.35 0.02 0.00 -1.82 0.00 0.00 55.36 53.85 3dm7 s GLN 119 Cb -0.34 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 3dm7 s GLN 119 CO 0.29 -0.49 -0.16 -1.14 -1.32 0.00 0.00 175.29 172.47 3dm7 s GLN 120 N -3.31 3.15 -0.02 9.60 0.74 -1.26 -0.23 119.66 128.33 3dm7 s GLN 120 Ca 0.01 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.69 3dm7 s GLN 120 Cb -0.01 -2.50 0.01 0.00 1.10 0.00 0.00 33.01 31.61 3dm7 s GLN 120 CO -0.10 0.27 -0.05 0.08 -0.55 0.00 0.00 175.29 174.94 3dm7 s VAL 121 N 0.18 0.51 -0.12 1.34 1.01 0.14 -4.97 120.40 118.50 3dm7 s VAL 121 Ca -0.10 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3dm7 s VAL 121 Cb -0.16 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3dm7 s VAL 121 CO 0.06 0.18 -0.21 -0.89 0.00 0.00 0.00 175.10 174.24 3dm7 s THR 122 N 0.36 1.93 -0.03 3.92 2.01 -1.26 -0.19 115.64 122.37 3dm7 s THR 122 Ca -0.04 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.10 3dm7 s THR 122 Cb -0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 3dm7 s THR 122 CO -0.00 0.53 -0.21 -0.75 -0.69 0.00 0.00 174.62 173.49 3dm7 s LYS 123 N 0.68 2.28 -0.14 4.92 2.20 -0.11 -4.89 119.74 124.68 3dm7 s LYS 123 Ca -0.11 -0.84 -0.02 0.00 -0.36 0.00 0.00 55.97 54.64 3dm7 s LYS 123 Cb -0.16 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 3dm7 s LYS 123 CO 0.02 0.58 -0.08 0.08 -0.36 0.00 0.00 175.35 175.59 3dm7 s VAL 124 N -0.64 3.49 -0.11 4.02 1.01 -1.26 -0.40 120.40 126.51 3dm7 s VAL 124 Ca 0.10 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3dm7 s VAL 124 Cb -0.10 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 3dm7 s VAL 124 CO -0.00 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 175.04 3dm7 s PHE 125 N 0.32 2.63 -0.03 5.22 0.08 0.38 -4.07 117.98 122.51 3dm7 s PHE 125 Ca -0.07 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 55.90 3dm7 s PHE 125 Cb -0.15 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3dm7 s PHE 125 CO 0.04 -0.38 0.25 1.14 -0.10 0.00 0.00 175.22 176.17 3dm7 s GLN 126 N 0.37 0.53 0.29 0.44 -2.07 -0.23 -1.18 119.66 117.81 3dm7 s GLN 126 Ca -0.16 -0.12 -0.29 0.00 -1.82 0.00 0.00 55.36 52.96 3dm7 s GLN 126 Cb -0.17 0.23 -0.10 0.00 -1.09 0.00 0.00 33.01 31.88 3dm7 s GLN 126 CO 0.08 -0.13 1.16 0.42 -1.32 0.00 0.00 175.29 175.50 3dm7 s ILE 127 N -1.00 3.28 0.07 3.63 -1.09 -1.26 -0.70 121.20 124.14 3dm7 s ILE 127 Ca -0.11 1.28 0.04 0.00 -2.23 0.00 0.00 60.65 59.64 3dm7 s ILE 127 Cb -0.05 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3dm7 s ILE 127 CO 0.02 0.30 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.38 3dm7 s LYS 128 N -1.48 0.75 0.00 2.79 1.02 -0.53 -4.93 119.74 117.36 3dm7 s LYS 128 Ca 0.46 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3dm7 s LYS 128 Cb -0.34 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3dm7 s LYS 128 CO 0.44 0.14 0.00 1.63 -0.92 0.00 0.00 175.35 176.64 3dm7 n LYS 129 N 1.24 -0.14 -3.73 1.68 4.76 -1.26 -2.20 118.16 118.52 3dm7 n LYS 129 Ca -0.21 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.14 3dm7 n LYS 129 Cb 0.55 -0.54 -0.03 0.00 -1.84 0.00 0.00 35.03 33.16 3dm7 n LYS 129 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dm7 s GLY 137 N 0.00 -0.17 0.11 0.72 0.00 -1.26 -5.19 107.32 101.54 3dm7 s GLY 137 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.63 3dm7 s GLY 137 CO 0.00 -0.14 -0.13 -0.26 0.00 0.00 0.00 173.10 172.58 3dm7 s ILE 138 N -3.87 1.19 0.32 0.90 -4.36 -0.93 -5.08 121.20 109.37 3dm7 s ILE 138 Ca 0.09 -1.70 -0.28 0.00 -0.26 0.00 0.00 60.65 58.50 3dm7 s ILE 138 Cb -0.03 -1.48 -0.09 0.00 1.25 0.00 0.00 42.46 42.11 3dm7 s ILE 138 CO -0.01 -0.47 1.14 -0.76 0.24 0.00 0.00 174.94 175.08 3dm7 s LEU 139 N -2.47 4.42 0.19 0.37 1.43 -1.26 -1.46 118.68 119.91 3dm7 s LEU 139 Ca 0.08 2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.50 3dm7 s LEU 139 Cb -0.04 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3dm7 s LEU 139 CO 0.02 -0.35 0.11 0.42 0.23 0.00 0.00 176.35 176.78 3dm7 s THR 140 N -1.26 0.09 0.35 5.49 -4.23 0.13 -4.76 115.64 111.44 3dm7 s THR 140 Ca 0.49 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 3dm7 s THR 140 Cb -0.32 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.12 3dm7 s THR 140 CO 0.41 -0.09 0.69 -0.55 -0.54 0.00 0.00 174.62 174.54 3dm7 s SER 141 N -3.16 0.14 0.14 3.99 0.15 -0.45 -1.07 113.70 113.43 3dm7 s SER 141 Ca 0.36 -1.11 0.09 0.00 0.70 0.00 0.00 55.95 56.00 3dm7 s SER 141 Cb 0.07 0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 3dm7 s SER 141 CO 0.10 -1.51 -0.21 -1.61 1.20 0.00 0.00 173.24 171.22 3dm7 s GLU 142 N -2.89 1.25 0.49 5.44 2.02 -1.26 -4.36 118.70 119.40 3dm7 s GLU 142 Ca 0.18 -1.31 -0.23 0.00 0.02 0.00 0.00 54.97 53.64 3dm7 s GLU 142 Cb -0.04 -1.49 -0.06 0.00 0.10 0.00 0.00 34.13 32.64 3dm7 s GLU 142 CO 0.12 0.33 1.30 -2.14 0.02 0.00 0.00 175.26 174.89 3dm7 s PRO 143 N -2.30 3.48 -0.01 0.39 0.02 -1.26 -4.76 135.00 130.56 3dm7 s PRO 143 Ca 0.12 2.10 0.04 0.00 0.02 0.00 0.00 61.00 63.28 3dm7 s PRO 143 Cb -0.08 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 32.02 3dm7 s PRO 143 CO 0.06 -0.87 -0.14 0.54 -0.33 0.00 0.00 177.00 176.26 3dm7 s VAL 144 N -1.36 1.10 0.40 3.83 0.11 -0.92 -5.00 120.40 118.56 3dm7 s VAL 144 Ca 0.66 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.85 3dm7 s VAL 144 Cb -0.37 -0.92 -0.10 0.00 -1.53 0.00 0.00 36.38 33.46 3dm7 s VAL 144 CO 0.45 0.31 1.44 -2.84 -3.33 0.00 0.00 175.10 171.13 3dm7 s PRO 145 N -0.28 4.00 -0.25 1.54 0.02 -1.26 -4.67 135.00 134.11 3dm7 s PRO 145 Ca 0.04 2.47 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 3dm7 s PRO 145 Cb -0.06 -2.88 0.07 0.00 0.02 0.00 0.00 34.50 31.65 3dm7 s PRO 145 CO -0.00 -0.58 0.63 -1.50 -0.33 0.00 0.00 177.00 175.21 3dm7 s ILE 146 N -1.15 -0.00 -0.61 2.83 2.07 -1.26 -4.90 121.20 118.17 3dm7 s ILE 146 Ca 0.55 0.01 -0.27 0.00 -1.41 0.00 0.00 60.65 59.54 3dm7 s ILE 146 Cb -0.45 -0.89 0.04 0.00 0.13 0.00 0.00 42.46 41.29 3dm7 s ILE 146 CO 0.59 0.00 1.14 -1.61 -1.91 0.00 0.00 174.94 173.16 3dm7 s GLU 147 N 0.94 3.38 0.76 3.50 0.41 -1.26 -5.02 118.70 121.40 3dm7 s GLU 147 Ca -0.05 -0.04 -0.14 0.00 -0.41 0.00 0.00 54.97 54.33 3dm7 s GLU 147 Cb -0.05 -4.07 0.06 0.00 -1.78 0.00 0.00 34.13 28.28 3dm7 s GLU 147 CO -0.08 -1.74 1.20 -1.58 -0.49 0.00 0.00 175.26 172.57 3dm7 s TRP 148 N 4.82 1.98 0.53 1.61 0.52 -1.26 -4.65 118.94 122.49 3dm7 s TRP 148 Ca 0.37 1.63 -0.20 0.00 0.02 0.00 0.00 56.10 57.91 3dm7 s TRP 148 Cb -0.09 -3.46 -0.06 0.00 -1.15 0.00 0.00 33.47 28.71 3dm7 s TRP 148 CO 0.21 -2.67 1.18 -2.14 0.02 0.00 0.00 176.95 173.55 3dm7 s PRO 149 N -4.02 3.34 0.44 4.98 0.02 -1.26 -4.85 135.00 133.64 3dm7 s PRO 149 Ca 0.73 1.77 0.10 0.00 0.02 0.00 0.00 61.00 63.63 3dm7 s PRO 149 Cb -0.29 -2.12 0.98 0.00 0.02 0.00 0.00 34.50 33.10 3dm7 s PRO 149 CO 0.47 -0.90 2.07 1.96 -0.33 0.00 0.00 177.00 180.28 3dm7 h GLN 150 N 1.37 0.39 -0.01 5.54 4.20 -1.15 -0.78 115.11 124.67 3dm7 h GLN 150 Ca -0.50 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3dm7 h GLN 150 Cb 1.27 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 3dm7 h GLN 150 CO 0.57 0.26 0.02 0.77 -0.67 0.00 0.00 178.83 179.78 3dm7 h SER 151 N 0.40 0.00 -0.42 1.46 0.02 -1.91 -1.59 113.55 111.51 3dm7 h SER 151 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3dm7 h SER 151 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3dm7 h SER 151 CO -0.03 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.44 3dm7 n TYR 152 N -3.63 0.55 -0.32 3.45 4.02 -0.30 -4.56 117.16 116.38 3dm7 n TYR 152 Ca -0.03 -0.28 0.17 0.00 -0.01 0.00 0.00 57.90 57.75 3dm7 n TYR 152 Cb 0.10 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 39.78 3dm7 n TYR 152 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3dm7 h ASP 153 N 3.38 0.37 0.99 7.72 5.19 -1.35 0.92 116.42 133.64 3dm7 h ASP 153 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3dm7 h ASP 153 Cb 0.76 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.41 3dm7 h ASP 153 CO 0.00 -0.05 0.00 0.77 -3.12 0.00 0.00 179.24 176.84 3dm7 h SER 154 N 0.37 0.00 -0.18 6.45 4.64 -1.84 -2.90 113.55 120.09 3dm7 h SER 154 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3dm7 h SER 154 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3dm7 h SER 154 CO -0.56 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.70 3dm7 n ILE 155 N -2.96 1.22 -2.63 0.95 -5.35 0.17 -4.86 119.36 105.90 3dm7 n ILE 155 Ca 0.01 -1.21 -0.43 0.00 -0.27 0.00 0.00 62.75 60.85 3dm7 n ILE 155 Cb 0.30 0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 38.53 3dm7 n ILE 155 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dm7 s ASN 156 N -1.27 7.05 0.58 7.28 3.84 -0.34 -3.91 114.94 128.16 3dm7 s ASN 156 Ca 0.18 1.33 0.27 0.00 0.21 0.00 0.00 52.86 54.85 3dm7 s ASN 156 Cb 0.12 -2.54 1.69 0.00 -0.55 0.00 0.00 41.25 39.96 3dm7 s ASN 156 CO 0.08 -0.73 2.21 1.55 -2.79 0.00 0.00 177.10 177.42 3dm7 h PRO 157 N 7.67 0.00 -0.01 0.43 0.13 -1.91 -1.59 132.00 136.72 3dm7 h PRO 157 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3dm7 h PRO 157 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3dm7 h PRO 157 CO 0.99 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 178.47 3dm7 n ASP 158 N -3.99 1.44 -3.87 1.44 8.00 -1.26 -4.90 116.55 113.42 3dm7 n ASP 158 Ca -0.02 -1.41 -0.30 0.00 0.71 0.00 0.00 54.79 53.76 3dm7 n ASP 158 Cb 0.13 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.11 3dm7 n ASP 158 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dm7 s LEU 159 N -2.07 3.67 0.00 0.64 1.43 -0.60 -5.22 118.68 116.53 3dm7 s LEU 159 Ca 0.36 -2.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.04 3dm7 s LEU 159 Cb 0.21 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3dm7 s LEU 159 CO 0.36 -0.32 0.00 0.29 0.23 0.00 0.00 176.35 176.91 3dm7 n LYS 161 N 3.87 0.00 -3.67 1.70 5.02 -1.26 -4.97 118.16 118.85 3dm7 n LYS 161 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.95 3dm7 n LYS 161 Cb 0.37 -0.05 -0.10 0.00 -0.02 0.00 0.00 35.03 35.24 3dm7 n LYS 161 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dm7 s ASP 162 N -1.23 5.47 -0.19 4.39 2.15 -1.26 -4.87 116.67 121.13 3dm7 s ASP 162 Ca 0.00 -2.23 0.15 0.00 0.43 0.00 0.00 52.55 50.89 3dm7 s ASP 162 Cb 0.00 -1.91 -0.22 0.00 -0.30 0.00 0.00 42.92 40.49 3dm7 s ASP 162 CO 0.00 -0.55 0.04 0.29 -0.17 0.00 0.00 175.17 174.78 3dm7 n LYS 163 N 4.39 0.96 0.27 4.34 5.02 -1.26 -4.06 118.16 127.82 3dm7 n LYS 163 Ca -0.01 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 3dm7 n LYS 163 Cb 0.41 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 3dm7 n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dm7 h ARG 164 N 0.00 -0.66 -6.10 1.97 3.08 -1.90 -2.62 114.38 108.15 3dm7 h ARG 164 Ca -0.50 0.05 -0.60 0.00 0.07 0.00 0.00 59.98 59.00 3dm7 h ARG 164 Cb 2.10 0.15 0.18 0.00 0.08 0.00 0.00 29.97 32.48 3dm7 h ARG 164 CO 0.02 -0.37 -1.02 0.45 -1.07 0.00 0.00 179.97 177.98 3dm7 n SER 165 N -5.31 -3.19 0.31 7.04 2.88 -1.26 -4.46 113.62 109.63 3dm7 n SER 165 Ca -0.11 0.66 0.20 0.00 -1.33 0.00 0.00 58.87 58.29 3dm7 n SER 165 Cb 0.32 -0.91 1.02 0.00 -0.75 0.00 0.00 64.21 63.89 3dm7 n SER 165 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3dm7 h PRO 166 N 0.02 0.00 0.00 -1.46 0.13 -1.96 0.14 132.00 128.87 3dm7 h PRO 166 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.58 3dm7 h PRO 166 Cb 1.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.54 3dm7 h PRO 166 CO 0.43 0.01 -1.18 1.49 -0.23 0.00 0.00 178.00 178.52 3dm7 h GLU 167 N 0.00 0.00 0.04 0.86 4.81 -1.93 -3.21 114.58 115.15 3dm7 h GLU 167 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3dm7 h GLU 167 Cb 0.16 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.55 3dm7 h GLU 167 CO 0.00 0.29 -0.54 0.78 -0.73 0.00 0.00 179.01 178.81 3dm7 h GLY 168 N 3.71 0.33 1.09 1.92 0.00 -1.05 -3.02 103.07 106.04 3dm7 h GLY 168 Ca -0.11 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.62 3dm7 h GLY 168 CO 0.04 0.58 0.44 0.50 0.00 0.00 0.00 176.54 178.11 3dm7 h LYS 169 N -0.34 0.63 -0.18 4.80 1.57 -0.44 0.40 116.57 123.02 3dm7 h LYS 169 Ca -0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3dm7 h LYS 169 Cb 1.32 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3dm7 h LYS 169 CO 0.11 0.42 0.02 -0.22 -0.57 0.00 0.00 179.45 179.20 3dm7 h LYS 170 N 0.65 0.31 -0.27 3.15 3.64 -1.59 -1.58 116.57 120.88 3dm7 h LYS 170 Ca 0.29 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3dm7 h LYS 170 Cb 0.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3dm7 h LYS 170 CO -0.09 0.50 -0.38 0.87 -2.27 0.00 0.00 179.45 178.07 3dm7 h LYS 171 N 0.09 0.63 0.09 1.90 1.57 -1.21 -2.42 116.57 117.22 3dm7 h LYS 171 Ca 0.05 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3dm7 h LYS 171 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3dm7 h LYS 171 CO 0.01 0.91 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.82 3dm7 h TYR 172 N 0.52 -0.15 -0.65 -1.35 3.20 -0.12 -1.47 116.97 116.95 3dm7 h TYR 172 Ca 0.05 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3dm7 h TYR 172 Cb 0.89 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 3dm7 h TYR 172 CO 0.04 -0.09 0.43 0.00 -1.64 0.00 0.00 178.16 176.90 3dm7 h ARG 173 N -0.15 0.83 -0.06 1.82 3.08 -1.25 -2.55 114.38 116.10 3dm7 h ARG 173 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dm7 h ARG 173 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3dm7 h ARG 173 CO 0.00 0.55 0.04 1.96 -1.07 0.00 0.00 179.97 181.44 3dm7 h GLN 174 N 0.85 0.08 -1.91 0.04 4.20 -0.90 -1.79 115.11 115.68 3dm7 h GLN 174 Ca 0.25 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3dm7 h GLN 174 Cb -0.04 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3dm7 h GLN 174 CO -0.06 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 3dm7 n GLY 175 N -1.04 0.37 0.12 3.46 0.00 -0.61 -3.04 105.19 104.45 3dm7 n GLY 175 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3dm7 n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dm7 n LYS 177 N 1.18 0.00 -2.41 1.61 5.02 -0.68 -3.84 118.16 119.04 3dm7 n LYS 177 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 3dm7 n LYS 177 Cb 0.06 -0.05 0.02 0.00 -0.02 0.00 0.00 35.03 35.05 3dm7 n LYS 177 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3dm7 s THR 178 N 0.00 4.06 0.53 -0.18 -4.23 -1.17 -4.22 115.64 110.43 3dm7 s THR 178 Ca 0.00 0.12 0.21 0.00 -1.18 0.00 0.00 61.69 60.84 3dm7 s THR 178 Cb 0.00 -3.59 0.33 0.00 1.34 0.00 0.00 72.50 70.57 3dm7 s THR 178 CO 0.00 -0.62 2.09 -0.29 -0.54 0.00 0.00 174.62 175.26 3dm7 h ILE 179 N -0.09 0.85 0.00 2.99 6.09 -1.90 0.16 117.51 125.61 3dm7 h ILE 179 Ca -0.46 0.00 -0.07 0.00 -1.37 0.00 0.00 64.86 62.96 3dm7 h ILE 179 Cb 1.24 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 39.41 3dm7 h ILE 179 CO 0.61 0.00 -0.34 -0.26 -3.07 0.00 0.00 178.15 175.09 3dm7 h PHE 180 N 0.00 0.00 -0.05 2.19 0.04 -1.92 -1.72 116.94 115.47 3dm7 h PHE 180 Ca 0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.75 3dm7 h PHE 180 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3dm7 h PHE 180 CO 0.00 0.34 -0.54 0.78 -0.60 0.00 0.00 178.31 178.29 3dm7 h GLY 181 N 1.23 0.17 1.73 -1.45 0.00 -0.80 -2.77 103.07 101.18 3dm7 h GLY 181 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3dm7 h GLY 181 CO 0.04 0.17 0.14 -0.25 0.00 0.00 0.00 176.54 176.64 3dm7 h TRP 182 N 0.12 0.35 0.00 5.60 7.01 -1.03 -1.83 115.95 126.17 3dm7 h TRP 182 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3dm7 h TRP 182 Cb 0.99 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.93 3dm7 h TRP 182 CO 0.01 0.26 0.00 0.74 -2.79 0.00 0.00 178.44 176.66 3dm7 h PHE 183 N 0.37 0.00 -0.36 2.65 0.04 -1.37 -1.31 116.94 116.96 3dm7 h PHE 183 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3dm7 h PHE 183 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3dm7 h PHE 183 CO 0.00 0.00 0.00 2.89 -0.60 0.00 0.00 178.31 180.60 3dm7 n ARG 184 N -3.06 2.35 -1.92 1.51 1.85 -0.70 -2.16 116.66 114.54 3dm7 n ARG 184 Ca -0.01 -2.16 -0.40 0.00 -1.00 0.00 0.00 57.85 54.29 3dm7 n ARG 184 Cb 0.19 -1.45 0.01 0.00 -1.05 0.00 0.00 32.46 30.15 3dm7 n ARG 184 CO 0.00 0.00 0.00 -0.46 -0.01 0.00 0.00 177.63 177.16 3dm7 s TRP 185 N -1.32 2.62 0.00 2.89 -0.00 -0.50 -4.38 118.94 118.26 3dm7 s TRP 185 Ca 0.34 1.34 0.00 0.00 -0.00 0.00 0.00 56.10 57.78 3dm7 s TRP 185 Cb 0.20 -3.79 0.00 0.00 -0.00 0.00 0.00 33.47 29.88 3dm7 s TRP 185 CO 0.27 -2.53 0.00 0.25 -0.00 0.00 0.00 176.95 174.95 3dm7 n THR 186 N -0.08 0.00 -0.77 5.86 -2.24 -1.26 -4.19 114.28 111.60 3dm7 n THR 186 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3dm7 n THR 186 Cb 0.43 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 3dm7 n THR 186 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dm7 n GLY 187 N 1.78 0.88 0.96 3.38 0.00 -1.26 -1.35 105.19 109.58 3dm7 n GLY 187 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3dm7 n GLY 187 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dm7 n LEU 188 N 0.00 2.97 -3.20 0.99 4.77 -1.26 -4.54 117.00 116.73 3dm7 n LEU 188 Ca 0.00 -1.07 -0.24 0.00 -0.03 0.00 0.00 56.01 54.67 3dm7 n LEU 188 Cb 0.00 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3dm7 n LEU 188 CO 0.00 0.54 -0.14 0.29 -1.33 0.00 0.00 177.39 176.75 3dm7 n LYS 189 N 1.28 1.51 -1.61 3.23 4.76 -1.26 -5.11 118.16 120.95 3dm7 n LYS 189 Ca 0.16 -3.79 -0.62 0.00 -2.87 0.00 0.00 58.31 51.18 3dm7 n LYS 189 Cb 0.58 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 3dm7 n LYS 189 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3dm7 n PRO 190 N 0.78 0.07 -0.62 1.97 -0.02 -1.26 -0.83 135.00 135.08 3dm7 n PRO 190 Ca 0.25 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3dm7 n PRO 190 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3dm7 n PRO 190 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dm7 n GLY 191 N 2.65 1.64 0.22 -1.23 0.00 -1.26 -4.84 105.19 102.37 3dm7 n GLY 191 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.34 3dm7 n GLY 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dm7 n LYS 192 N -2.00 1.97 -4.03 1.61 4.76 -0.01 -5.03 118.16 115.42 3dm7 n LYS 192 Ca 0.00 -0.51 -0.24 0.00 -2.87 0.00 0.00 58.31 54.68 3dm7 n LYS 192 Cb 0.00 -1.21 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 3dm7 n LYS 192 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3dm7 n GLU 193 N -0.54 1.02 -1.58 1.97 1.02 -1.25 -5.07 120.64 116.21 3dm7 n GLU 193 Ca 0.05 -2.82 -0.55 0.00 -0.02 0.00 0.00 57.16 53.82 3dm7 n GLU 193 Cb 0.28 0.82 -0.07 0.00 -0.02 0.00 0.00 31.44 32.45 3dm7 n GLU 193 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dm7 n PHE 194 N -0.95 1.35 -1.87 -0.32 7.35 -1.26 -4.82 117.46 116.93 3dm7 n PHE 194 Ca -0.15 0.76 -0.42 0.00 -0.76 0.00 0.00 57.45 56.88 3dm7 n PHE 194 Cb 0.49 -2.28 -0.02 0.00 0.35 0.00 0.00 39.48 38.02 3dm7 n PHE 194 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3dm7 s PRO 195 N 0.75 4.18 -1.48 -7.13 0.02 -1.26 -3.23 135.00 126.86 3dm7 s PRO 195 Ca 0.88 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 64.25 3dm7 s PRO 195 Cb -1.07 -3.07 0.06 0.00 0.02 0.00 0.00 34.50 30.44 3dm7 s PRO 195 CO 0.53 -0.56 0.97 0.72 -0.33 0.00 0.00 177.00 178.32 3dm7 n HIS 196 N 2.58 -2.32 0.22 6.54 8.25 -1.26 -4.87 115.22 124.37 3dm7 n HIS 196 Ca 0.09 0.91 0.06 0.00 -0.26 0.00 0.00 57.72 58.52 3dm7 n HIS 196 Cb 0.38 -4.18 0.55 0.00 1.12 0.00 0.00 29.99 27.86 3dm7 n HIS 196 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dm7 h GLY 197 N -2.13 0.04 1.17 -1.41 0.00 -1.93 -1.89 103.07 96.92 3dm7 h GLY 197 Ca -0.58 -0.02 -0.23 0.00 0.00 0.00 0.00 47.33 46.49 3dm7 h GLY 197 CO 0.64 0.02 -0.86 1.29 0.00 0.00 0.00 176.54 177.63 3dm7 h ASP 198 N 0.04 0.92 -0.57 0.19 2.03 -1.90 -2.27 116.42 114.86 3dm7 h ASP 198 Ca 0.01 -0.67 -0.06 0.00 -0.73 0.00 0.00 57.03 55.58 3dm7 h ASP 198 Cb 0.17 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 38.37 3dm7 h ASP 198 CO 0.01 1.45 0.13 0.28 -1.03 0.00 0.00 179.24 180.08 3dm7 h SER 199 N 0.46 0.91 -0.43 4.15 0.02 -1.84 -0.78 113.55 116.04 3dm7 h SER 199 Ca -0.08 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 3dm7 h SER 199 Cb 1.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3dm7 h SER 199 CO 0.17 0.89 -0.04 0.25 -1.14 0.00 0.00 176.83 176.97 3dm7 h LEU 200 N 0.92 0.78 -0.35 5.07 5.85 -1.35 0.01 115.31 126.24 3dm7 h LEU 200 Ca 0.19 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3dm7 h LEU 200 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3dm7 h LEU 200 CO 0.00 0.92 0.21 0.00 -0.34 0.00 0.00 178.44 179.24 3dm7 h ALA 201 N 0.88 0.44 -0.29 1.25 0.00 -1.12 -1.72 119.26 118.70 3dm7 h ALA 201 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3dm7 h ALA 201 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3dm7 h ALA 201 CO 0.03 -0.14 -0.06 0.77 0.00 0.00 0.00 179.25 179.85 3dm7 h SER 202 N 0.43 0.44 -0.70 0.00 0.02 -0.99 -1.77 113.55 110.98 3dm7 h SER 202 Ca 0.14 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3dm7 h SER 202 Cb -0.00 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3dm7 h SER 202 CO -0.06 0.55 0.43 0.25 -1.14 0.00 0.00 176.83 176.86 3dm7 h LEU 203 N 0.44 0.69 -0.03 5.07 5.85 -0.15 0.20 115.31 127.37 3dm7 h LEU 203 Ca 0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3dm7 h LEU 203 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3dm7 h LEU 203 CO 0.02 0.47 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.31 3dm7 h PHE 204 N 0.82 0.06 0.00 1.25 0.04 -0.78 0.70 116.94 119.03 3dm7 h PHE 204 Ca 0.29 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.96 3dm7 h PHE 204 Cb 0.06 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3dm7 h PHE 204 CO -0.05 0.46 -0.40 0.66 -0.60 0.00 0.00 178.31 178.38 3dm7 h SER 205 N -0.35 0.00 0.00 2.17 4.64 -1.17 -0.76 113.55 118.08 3dm7 h SER 205 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3dm7 h SER 205 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3dm7 h SER 205 CO 0.00 0.40 -1.72 -0.62 -0.87 0.00 0.00 176.83 174.02 3dm7 n GLU 206 N -3.37 0.56 0.07 4.77 1.02 0.68 -4.56 120.64 119.81 3dm7 n GLU 206 Ca 0.01 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3dm7 n GLU 206 Cb 0.59 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3dm7 n GLU 206 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dm7 n GLU 207 N -2.07 0.00 0.20 3.49 1.02 -0.66 -4.74 120.64 117.88 3dm7 n GLU 207 Ca -0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 3dm7 n GLU 207 Cb 0.45 -0.38 -0.08 0.00 -0.02 0.00 0.00 31.44 31.40 3dm7 n GLU 207 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3dm7 h ILE 208 N 0.00 0.68 -0.12 -3.67 2.04 -0.96 -1.24 117.51 114.23 3dm7 h ILE 208 Ca 0.00 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 3dm7 h ILE 208 Cb 0.00 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3dm7 h ILE 208 CO 0.00 0.02 -0.20 0.22 0.00 0.00 0.00 178.15 178.19 3dm7 h TYR 209 N -0.50 0.44 -0.57 1.37 3.20 -1.37 -1.47 116.97 118.08 3dm7 h TYR 209 Ca -0.05 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.64 3dm7 h TYR 209 Cb 0.38 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3dm7 h TYR 209 CO -0.04 0.81 0.23 -1.35 -1.64 0.00 0.00 178.16 176.17 3dm7 h PRO 210 N -0.05 0.86 -0.34 1.82 0.11 -1.75 -3.28 132.00 129.36 3dm7 h PRO 210 Ca 0.01 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 3dm7 h PRO 210 Cb 0.77 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 3dm7 h PRO 210 CO 0.05 0.74 0.02 1.19 -0.21 0.00 0.00 178.00 179.78 3dm7 n PHE 211 N -4.49 1.19 -0.35 0.65 3.72 -0.47 -4.69 117.46 113.02 3dm7 n PHE 211 Ca 0.03 -0.99 0.09 0.00 -0.05 0.00 0.00 57.45 56.53 3dm7 n PHE 211 Cb 0.16 -0.39 0.27 0.00 -0.94 0.00 0.00 39.48 38.58 3dm7 n PHE 211 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dm7 h VAL 213 N 0.93 1.26 -0.71 0.00 2.07 -1.86 0.11 116.25 118.04 3dm7 h VAL 213 Ca 0.51 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3dm7 h VAL 213 Cb 0.59 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3dm7 h VAL 213 CO -0.28 0.33 0.25 0.11 0.02 0.00 0.00 177.57 178.00 3dm7 h LYS 214 N 1.20 1.08 -0.32 1.57 1.57 -1.52 0.21 116.57 120.36 3dm7 h LYS 214 Ca 0.28 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3dm7 h LYS 214 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3dm7 h LYS 214 CO -0.03 0.90 -0.11 1.88 -0.57 0.00 0.00 179.45 181.52 3dm7 h TYR 215 N 1.05 0.74 -0.45 -1.35 0.05 -0.94 -2.16 116.97 113.90 3dm7 h TYR 215 Ca 0.24 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3dm7 h TYR 215 Cb 0.25 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3dm7 h TYR 215 CO 0.02 0.84 0.26 -0.92 -1.05 0.00 0.00 178.16 177.31 3dm7 h TYR 216 N 0.42 0.61 -0.86 4.88 3.20 -0.67 -1.94 116.97 122.61 3dm7 h TYR 216 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3dm7 h TYR 216 Cb 0.62 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 3dm7 h TYR 216 CO 0.05 0.44 0.55 0.00 -1.64 0.00 0.00 178.16 177.57 3dm7 h ALA 217 N 1.11 1.09 -0.95 1.82 0.00 -0.92 -1.70 119.26 119.71 3dm7 h ALA 217 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dm7 h ALA 217 Cb 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3dm7 h ALA 217 CO -0.03 0.51 0.58 1.49 0.00 0.00 0.00 179.25 181.80 3dm7 h GLU 218 N 1.16 1.29 0.00 0.00 4.81 -1.01 -0.71 114.58 120.12 3dm7 h GLU 218 Ca 0.31 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3dm7 h GLU 218 Cb -0.11 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 28.99 3dm7 h GLU 218 CO -0.07 0.90 -0.19 0.00 -0.73 0.00 0.00 179.01 178.92 3dm7 h ALA 219 N 1.32 1.14 0.10 2.92 0.00 -0.65 -2.89 119.26 121.20 3dm7 h ALA 219 Ca 0.34 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3dm7 h ALA 219 Cb -0.07 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dm7 h ALA 219 CO -0.07 0.24 -0.95 1.96 0.00 0.00 0.00 179.25 180.43 3dm7 h GLN 220 N 0.00 0.48 0.00 0.00 1.08 -0.31 -3.21 115.11 113.15 3dm7 h GLN 220 Ca -0.00 -0.64 -0.00 0.00 -1.45 0.00 0.00 58.65 56.55 3dm7 h GLN 220 Cb 0.57 0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 3dm7 h GLN 220 CO 0.03 1.27 -0.01 0.00 -0.95 0.00 0.00 178.83 179.16 3dm7 h ARG 221 N -0.01 0.00 -0.90 1.46 3.08 -1.04 0.15 114.38 117.11 3dm7 h ARG 221 Ca -0.15 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3dm7 h ARG 221 Cb 1.68 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.70 3dm7 h ARG 221 CO 0.18 0.01 0.07 -0.25 -1.07 0.00 0.00 179.97 178.92 3dm7 n ASP 222 N -3.89 2.82 0.00 7.04 9.92 -1.11 -5.12 116.55 126.22 3dm7 n ASP 222 Ca -0.03 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.84 3dm7 n ASP 222 Cb 0.09 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 3dm7 n ASP 222 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33