#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvg s ARG 3 N 0.00 4.30 0.02 1.43 0.52 -1.26 -5.04 118.95 118.93 3gvg s ARG 3 Ca 0.00 0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 3gvg s ARG 3 Cb 0.00 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 3gvg s ARG 3 CO 0.00 0.28 1.26 0.21 0.02 0.00 0.00 175.30 177.07 3gvg s LYS 4 N 0.17 4.37 0.69 3.54 2.20 -1.26 -5.00 119.74 124.46 3gvg s LYS 4 Ca 0.29 1.82 -0.14 0.00 -0.36 0.00 0.00 55.97 57.58 3gvg s LYS 4 Cb -0.17 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3gvg s LYS 4 CO 0.14 -0.39 1.11 -1.25 -0.36 0.00 0.00 175.35 174.60 3gvg s PRO 5 N 1.63 2.62 -0.08 4.03 0.04 -1.26 -4.83 135.00 137.15 3gvg s PRO 5 Ca 0.60 1.36 0.01 0.00 0.04 0.00 0.00 61.00 63.00 3gvg s PRO 5 Cb -0.29 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.33 3gvg s PRO 5 CO 0.27 -1.39 -0.10 -1.17 0.04 0.00 0.00 177.00 174.65 3gvg s LEU 6 N -5.15 1.45 -0.28 -3.56 2.96 -0.20 -0.84 118.68 113.06 3gvg s LEU 6 Ca 0.66 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3gvg s LEU 6 Cb -0.20 -0.81 0.04 0.00 0.50 0.00 0.00 46.19 45.72 3gvg s LEU 6 CO 0.45 -0.03 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.80 3gvg s ILE 7 N 1.08 2.92 -0.14 6.68 -1.09 0.20 -1.49 121.20 129.36 3gvg s ILE 7 Ca -0.07 -1.28 0.02 0.00 -2.23 0.00 0.00 60.65 57.09 3gvg s ILE 7 Cb -0.14 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 3gvg s ILE 7 CO -0.01 -0.01 -0.19 0.00 -1.23 0.00 0.00 174.94 173.50 3gvg s ALA 8 N 1.27 2.34 -0.41 9.38 0.00 -0.33 -1.19 121.76 132.81 3gvg s ALA 8 Ca -0.04 -1.06 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 3gvg s ALA 8 Cb -0.19 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.89 3gvg s ALA 8 CO -0.02 0.01 0.30 0.20 0.00 0.00 0.00 175.76 176.24 3gvg s GLY 9 N 0.75 2.01 -0.68 0.00 0.00 0.46 -0.54 107.32 109.32 3gvg s GLY 9 Ca -0.08 -1.73 -0.25 0.00 0.00 0.00 0.00 44.72 42.66 3gvg s GLY 9 CO 0.00 0.92 1.13 0.21 0.00 0.00 0.00 173.10 175.36 3gvg s ASN 10 N 1.70 6.21 0.49 1.64 2.47 0.63 -0.33 114.94 127.75 3gvg s ASN 10 Ca 0.05 -0.58 0.32 0.00 0.42 0.00 0.00 52.86 53.06 3gvg s ASN 10 Cb -0.19 -2.50 1.34 0.00 -1.45 0.00 0.00 41.25 38.45 3gvg s ASN 10 CO 0.10 -1.61 1.94 -0.50 -3.72 0.00 0.00 177.10 173.31 3gvg h TRP 11 N 9.75 0.00 -0.25 0.43 4.06 -1.71 -3.41 115.95 124.82 3gvg h TRP 11 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3gvg h TRP 11 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3gvg h TRP 11 CO 1.04 0.00 0.00 1.63 -3.56 0.00 0.00 178.44 177.55 3gvg n LYS 12 N -2.89 0.00 -2.39 0.49 5.02 -1.26 -3.58 118.16 113.55 3gvg n LYS 12 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3gvg n LYS 12 Cb 0.27 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.29 3gvg n LYS 12 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3gvg n MET 13 N 0.00 3.71 -3.83 1.97 0.00 -1.26 -4.24 117.12 113.47 3gvg n MET 13 Ca 0.00 -3.62 -0.12 0.00 -0.00 0.00 0.00 57.70 53.96 3gvg n MET 13 Cb 0.00 -2.88 -0.13 0.00 0.00 0.00 0.00 33.22 30.21 3gvg n MET 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3gvg s ASN 14 N 0.59 -0.13 0.00 6.12 0.01 -1.23 -5.11 114.94 115.19 3gvg s ASN 14 Ca 0.39 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.79 3gvg s ASN 14 Cb 0.09 0.26 0.00 0.00 0.41 0.00 0.00 41.25 42.01 3gvg s ASN 14 CO 0.01 -0.05 0.00 0.18 -1.51 0.00 0.00 177.10 175.74 3gvg n LEU 15 N 3.03 -1.19 0.00 0.60 4.77 -1.26 -4.60 117.00 118.34 3gvg n LEU 15 Ca -0.13 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.60 3gvg n LEU 15 Cb 0.59 -0.30 0.18 0.00 -2.33 0.00 0.00 43.42 41.56 3gvg n LEU 15 CO 0.22 0.00 0.72 -0.46 -1.33 0.00 0.00 177.39 176.54 3gvg n ASN 16 N -0.07 -0.15 0.15 -1.43 0.23 -1.26 -4.76 115.26 107.96 3gvg n ASN 16 Ca 0.00 -1.37 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 3gvg n ASN 16 Cb 0.00 -0.87 0.22 0.00 -2.08 0.00 0.00 39.78 37.05 3gvg n ASN 16 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3gvg h HIS 17 N -1.76 0.00 0.00 -2.53 2.07 -1.94 0.44 115.15 111.43 3gvg h HIS 17 Ca -0.37 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 56.94 3gvg h HIS 17 Cb 1.02 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.96 3gvg h HIS 17 CO 0.00 0.55 -1.22 0.10 -3.07 0.00 0.00 177.93 174.29 3gvg h TYR 18 N 0.00 0.00 -0.57 6.12 -0.00 -1.98 -2.91 116.97 117.62 3gvg h TYR 18 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.70 3gvg h TYR 18 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.71 3gvg h TYR 18 CO 0.00 0.84 0.25 0.93 -0.00 0.00 0.00 178.16 180.19 3gvg h GLU 19 N 0.00 0.81 -0.31 0.10 5.08 -1.87 -2.13 114.58 116.26 3gvg h GLU 19 Ca -0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3gvg h GLU 19 Cb 1.75 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 3gvg h GLU 19 CO 0.09 0.65 0.20 0.00 -1.00 0.00 0.00 179.01 178.94 3gvg h ALA 20 N 1.47 0.39 -0.45 3.43 0.00 -0.90 -0.88 119.26 122.33 3gvg h ALA 20 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gvg h ALA 20 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gvg h ALA 20 CO -0.02 -0.13 0.29 0.82 0.00 0.00 0.00 179.25 180.20 3gvg h ILE 21 N 0.41 1.13 -0.90 0.00 1.08 -1.28 -0.94 117.51 117.00 3gvg h ILE 21 Ca 0.11 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3gvg h ILE 21 Cb -0.02 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.18 3gvg h ILE 21 CO -0.02 0.12 0.50 0.00 -0.69 0.00 0.00 178.15 178.06 3gvg h ALA 22 N 1.15 1.18 -0.21 1.87 0.00 -1.07 -0.06 119.26 122.12 3gvg h ALA 22 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3gvg h ALA 22 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3gvg h ALA 22 CO -0.03 0.66 -0.10 1.25 0.00 0.00 0.00 179.25 181.02 3gvg h LEU 23 N 1.26 0.46 -0.96 0.00 5.85 -0.91 -0.90 115.31 120.11 3gvg h LEU 23 Ca 0.32 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3gvg h LEU 23 Cb 0.02 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 3gvg h LEU 23 CO -0.05 0.77 0.56 0.58 -0.34 0.00 0.00 178.44 179.96 3gvg h VAL 24 N 0.14 1.26 -0.44 1.05 2.07 -0.88 -1.04 116.25 118.42 3gvg h VAL 24 Ca 0.05 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 3gvg h VAL 24 Cb 0.60 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3gvg h VAL 24 CO 0.03 0.27 -0.04 1.56 0.02 0.00 0.00 177.57 179.42 3gvg h GLN 25 N 1.30 0.73 -0.56 1.57 4.20 -0.83 -0.04 115.11 121.48 3gvg h GLN 25 Ca 0.34 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gvg h GLN 25 Cb -0.05 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3gvg h GLN 25 CO -0.06 0.77 0.36 -0.22 -0.67 0.00 0.00 178.83 179.01 3gvg h LYS 26 N 0.68 0.74 -0.11 1.46 1.63 -0.56 -0.86 116.57 119.56 3gvg h LYS 26 Ca 0.13 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3gvg h LYS 26 Cb 0.47 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3gvg h LYS 26 CO 0.02 0.51 0.02 0.82 -3.45 0.00 0.00 179.45 177.37 3gvg h ILE 27 N 0.76 1.22 -0.81 2.00 2.04 -0.79 -1.90 117.51 120.02 3gvg h ILE 27 Ca 0.20 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 3gvg h ILE 27 Cb -0.07 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3gvg h ILE 27 CO -0.04 0.20 0.48 0.00 0.00 0.00 0.00 178.15 178.79 3gvg h ALA 28 N 0.79 1.32 0.00 1.87 0.00 -0.77 -1.48 119.26 120.99 3gvg h ALA 28 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gvg h ALA 28 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gvg h ALA 28 CO 0.00 0.58 -0.29 1.19 0.00 0.00 0.00 179.25 180.74 3gvg n PHE 29 N -4.37 0.49 -0.00 0.00 3.72 -0.35 -3.84 117.46 113.11 3gvg n PHE 29 Ca 0.09 0.14 0.05 0.00 -0.05 0.00 0.00 57.45 57.68 3gvg n PHE 29 Cb 0.07 -0.66 -0.13 0.00 -0.94 0.00 0.00 39.48 37.82 3gvg n PHE 29 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3gvg n SER 30 N -1.96 0.26 -4.44 4.37 7.64 -0.72 -4.87 113.62 113.90 3gvg n SER 30 Ca 0.05 0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 3gvg n SER 30 Cb 0.40 1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.77 3gvg n SER 30 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3gvg s LEU 31 N -5.04 4.95 0.34 -3.43 2.96 -0.63 -4.95 118.68 112.87 3gvg s LEU 31 Ca -0.06 -0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 52.69 3gvg s LEU 31 Cb 0.11 -2.12 -0.13 0.00 0.50 0.00 0.00 46.19 44.55 3gvg s LEU 31 CO 0.86 -0.41 1.12 -2.65 -1.32 0.00 0.00 176.35 173.95 3gvg n PRO 32 N 5.11 1.67 0.27 0.98 -0.02 -1.26 -4.86 135.00 136.89 3gvg n PRO 32 Ca -0.11 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3gvg n PRO 32 Cb 0.47 -2.08 0.79 0.00 -0.02 0.00 0.00 33.50 32.66 3gvg n PRO 32 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gvg h ASP 33 N 2.13 0.00 -0.05 2.55 3.58 -1.97 -2.43 116.42 120.24 3gvg h ASP 33 Ca -0.43 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.03 3gvg h ASP 33 Cb 1.32 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.36 3gvg h ASP 33 CO 0.61 0.09 0.04 0.07 -2.88 0.00 0.00 179.24 177.16 3gvg h LYS 34 N 0.00 0.00 -0.17 0.28 2.10 -2.04 -2.67 116.57 114.07 3gvg h LYS 34 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3gvg h LYS 34 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 3gvg h LYS 34 CO 0.01 0.00 -0.19 1.88 -2.00 0.00 0.00 179.45 179.15 3gvg h TYR 35 N 0.00 0.31 0.00 0.07 -1.99 -1.79 -3.02 116.97 110.55 3gvg h TYR 35 Ca 0.02 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 3gvg h TYR 35 Cb 0.10 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 3gvg h TYR 35 CO 0.00 0.48 -0.04 1.88 -0.00 0.00 0.00 178.16 180.48 3gvg h TYR 36 N 0.27 0.00 0.00 4.88 0.05 -1.67 0.60 116.97 121.11 3gvg h TYR 36 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3gvg h TYR 36 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.24 3gvg h TYR 36 CO 0.01 0.04 0.00 -0.44 -1.05 0.00 0.00 178.16 176.72 3gvg h ASP 37 N 0.00 0.00 0.00 3.88 3.32 -1.72 -3.27 116.42 118.63 3gvg h ASP 37 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gvg h ASP 37 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3gvg h ASP 37 CO 0.00 0.00 -0.21 0.54 -1.72 0.00 0.00 179.24 177.85 3gvg n ARG 38 N -2.59 5.51 -3.76 3.56 1.74 0.08 -5.01 116.66 116.20 3gvg n ARG 38 Ca 0.02 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3gvg n ARG 38 Cb 0.26 -0.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.89 3gvg n ARG 38 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gvg s VAL 39 N -1.42 0.01 -0.04 1.55 0.11 -0.46 -4.27 120.40 115.87 3gvg s VAL 39 Ca 0.02 -0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.81 3gvg s VAL 39 Cb 0.03 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 3gvg s VAL 39 CO 0.18 -0.04 0.54 -1.81 -3.33 0.00 0.00 175.10 170.64 3gvg s ASP 40 N -0.03 6.86 -0.10 3.54 1.01 -0.02 -4.35 116.67 123.58 3gvg s ASP 40 Ca -0.02 1.03 0.01 0.00 0.71 0.00 0.00 52.55 54.28 3gvg s ASP 40 Cb -0.03 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.59 3gvg s ASP 40 CO 0.01 0.10 -0.12 -0.69 0.21 0.00 0.00 175.17 174.67 3gvg s VAL 41 N -0.03 1.26 0.01 -1.27 1.01 -1.26 -0.63 120.40 119.49 3gvg s VAL 41 Ca 0.29 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3gvg s VAL 41 Cb -0.17 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3gvg s VAL 41 CO 0.15 0.40 -0.10 0.00 0.00 0.00 0.00 175.10 175.54 3gvg s ALA 42 N 1.13 0.85 -0.00 5.51 0.00 -0.33 -1.07 121.76 127.84 3gvg s ALA 42 Ca -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.36 3gvg s ALA 42 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3gvg s ALA 42 CO -0.03 0.17 0.02 0.14 0.00 0.00 0.00 175.76 176.06 3gvg s VAL 43 N -0.54 4.29 -0.57 0.00 -7.23 -0.64 -0.40 120.40 115.31 3gvg s VAL 43 Ca 0.01 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 3gvg s VAL 43 Cb -0.06 -2.93 0.17 0.00 0.56 0.00 0.00 36.38 34.12 3gvg s VAL 43 CO 0.00 0.37 0.41 -0.63 -0.31 0.00 0.00 175.10 174.95 3gvg s ILE 44 N -1.11 1.85 0.68 -0.62 -1.09 0.56 -1.08 121.20 120.39 3gvg s ILE 44 Ca 0.20 -3.53 -0.09 0.00 -2.23 0.00 0.00 60.65 55.00 3gvg s ILE 44 Cb -0.12 -2.23 0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3gvg s ILE 44 CO 0.11 -1.07 1.03 -2.84 -1.23 0.00 0.00 174.94 170.93 3gvg s PRO 45 N -0.74 2.64 0.79 2.79 0.02 -1.22 -2.23 135.00 137.06 3gvg s PRO 45 Ca 0.27 0.12 -0.15 0.00 0.02 0.00 0.00 61.00 61.27 3gvg s PRO 45 Cb -0.04 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.38 3gvg s PRO 45 CO -0.16 -1.04 0.79 -2.30 -0.33 0.00 0.00 177.00 173.97 3gvg n PRO 46 N -2.89 0.19 -0.35 5.54 -0.02 -1.26 -4.37 135.00 131.83 3gvg n PRO 46 Ca 0.06 0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.74 3gvg n PRO 46 Cb 0.58 -2.09 0.24 0.00 -0.02 0.00 0.00 33.50 32.21 3gvg n PRO 46 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3gvg h PHE 47 N -0.75 1.08 0.00 6.00 0.04 -1.96 -0.98 116.94 120.38 3gvg h PHE 47 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3gvg h PHE 47 Cb 1.32 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3gvg h PHE 47 CO 0.40 0.40 0.00 0.25 -0.60 0.00 0.00 178.31 178.76 3gvg n THR 48 N -4.66 0.90 1.08 -1.55 -2.24 -1.26 -2.34 114.28 104.20 3gvg n THR 48 Ca 0.19 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 3gvg n THR 48 Cb 0.37 -1.17 0.12 0.00 -2.10 0.00 0.00 70.33 67.56 3gvg n THR 48 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gvg n ASP 49 N -2.07 1.49 -0.13 3.42 8.00 -0.38 -4.64 116.55 122.23 3gvg n ASP 49 Ca 0.02 -1.17 -0.12 0.00 0.71 0.00 0.00 54.79 54.23 3gvg n ASP 49 Cb 0.20 0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.70 3gvg n ASP 49 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gvg h LEU 50 N 1.59 0.84 -0.54 0.64 3.38 -1.49 -1.87 115.31 117.86 3gvg h LEU 50 Ca 0.00 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3gvg h LEU 50 Cb 0.63 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3gvg h LEU 50 CO 0.00 1.04 0.22 -0.09 0.09 0.00 0.00 178.44 179.70 3gvg h ARG 51 N 0.62 0.41 -0.54 1.13 9.65 -1.82 0.14 114.38 123.97 3gvg h ARG 51 Ca 0.09 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3gvg h ARG 51 Cb 0.72 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 3gvg h ARG 51 CO 0.05 0.27 0.15 0.77 2.80 0.00 0.00 179.97 184.01 3gvg h SER 52 N 0.42 0.81 -0.32 -3.80 0.02 -1.80 -1.13 113.55 107.76 3gvg h SER 52 Ca 0.26 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3gvg h SER 52 Cb 0.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3gvg h SER 52 CO -0.24 0.82 -0.29 0.58 -1.14 0.00 0.00 176.83 176.57 3gvg h VAL 53 N 0.76 1.29 -0.18 2.27 2.07 -1.13 -2.29 116.25 119.04 3gvg h VAL 53 Ca 0.17 -1.45 0.02 0.00 0.82 0.00 0.00 66.70 66.27 3gvg h VAL 53 Cb 0.32 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3gvg h VAL 53 CO -0.00 0.47 0.05 -0.61 0.02 0.00 0.00 177.57 177.50 3gvg h GLN 54 N 0.52 0.12 -0.68 1.57 -0.00 -0.59 0.51 115.11 116.56 3gvg h GLN 54 Ca 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.71 3gvg h GLN 54 Cb 0.86 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 28.27 3gvg h GLN 54 CO 0.07 0.08 0.44 1.15 0.00 0.00 0.00 178.83 180.58 3gvg h THR 55 N 0.13 1.14 0.10 2.39 2.02 -1.18 0.84 112.91 118.34 3gvg h THR 55 Ca 0.08 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3gvg h THR 55 Cb 0.06 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3gvg h THR 55 CO -0.10 0.16 -0.05 0.25 0.37 0.00 0.00 175.52 176.16 3gvg h LEU 56 N 0.89 -0.11 -0.39 2.58 5.85 -1.15 -0.01 115.31 122.97 3gvg h LEU 56 Ca 0.26 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3gvg h LEU 56 Cb -0.06 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3gvg h LEU 56 CO -0.08 0.22 0.20 0.58 -0.34 0.00 0.00 178.44 179.03 3gvg h VAL 57 N -0.46 1.16 -0.08 1.05 2.07 -0.74 -0.66 116.25 118.59 3gvg h VAL 57 Ca -0.01 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 66.84 3gvg h VAL 57 Cb 0.38 0.73 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3gvg h VAL 57 CO 0.02 0.17 -0.89 0.44 0.02 0.00 0.00 177.57 177.33 3gvg h ASP 58 N 0.49 0.86 -0.05 0.57 3.32 -0.92 -0.52 116.42 120.17 3gvg h ASP 58 Ca 0.14 -0.62 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3gvg h ASP 58 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3gvg h ASP 58 CO -0.02 1.42 -0.33 1.23 -1.72 0.00 0.00 179.24 179.82 3gvg h GLY 59 N 0.63 0.58 -2.22 2.75 0.00 -0.89 -2.84 103.07 101.07 3gvg h GLY 59 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3gvg h GLY 59 CO 0.17 0.48 0.00 1.22 0.00 0.00 0.00 176.54 178.41 3gvg n ASP 60 N -4.07 3.36 -3.80 0.19 8.00 -0.26 -4.97 116.55 115.00 3gvg n ASP 60 Ca -0.01 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.24 3gvg n ASP 60 Cb 0.46 -0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 3gvg n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gvg n LYS 61 N 1.44 -5.65 -2.06 -1.24 5.02 -0.63 -4.94 118.16 110.10 3gvg n LYS 61 Ca 0.19 0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 3gvg n LYS 61 Cb 0.60 -5.45 0.02 0.00 -0.02 0.00 0.00 35.03 30.18 3gvg n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gvg s LEU 62 N -7.07 3.60 0.01 -0.35 1.43 -0.30 -4.95 118.68 111.05 3gvg s LEU 62 Ca 0.43 2.07 0.23 0.00 -1.03 0.00 0.00 54.13 55.83 3gvg s LEU 62 Cb -0.21 -4.56 0.21 0.00 0.03 0.00 0.00 46.19 41.65 3gvg s LEU 62 CO 0.81 -1.35 1.20 0.54 0.23 0.00 0.00 176.35 177.77 3gvg n ARG 63 N -1.77 0.05 -2.13 1.70 1.74 -1.26 -4.85 116.66 110.14 3gvg n ARG 63 Ca 0.11 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.82 3gvg n ARG 63 Cb 0.52 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.45 3gvg n ARG 63 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3gvg s LEU 64 N -3.18 3.83 0.50 0.55 0.05 -1.26 -4.80 118.68 114.37 3gvg s LEU 64 Ca 0.09 2.36 0.05 0.00 0.05 0.00 0.00 54.13 56.68 3gvg s LEU 64 Cb 0.16 -4.43 0.00 0.00 -2.05 0.00 0.00 46.19 39.88 3gvg s LEU 64 CO 0.77 -1.26 0.27 0.42 -0.55 0.00 0.00 176.35 176.00 3gvg s THR 65 N -1.58 1.77 0.21 5.48 -4.23 -0.24 -5.02 115.64 112.04 3gvg s THR 65 Ca 0.71 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 59.51 3gvg s THR 65 Cb -0.29 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 3gvg s THR 65 CO 0.34 0.00 0.31 -0.72 -0.54 0.00 0.00 174.62 174.01 3gvg s TYR 66 N -2.73 0.63 0.31 3.99 -0.85 -1.26 -1.61 117.35 115.82 3gvg s TYR 66 Ca 0.31 -0.95 -0.10 0.00 -0.52 0.00 0.00 57.07 55.81 3gvg s TYR 66 Cb -0.00 -0.12 0.04 0.00 0.38 0.00 0.00 41.96 42.26 3gvg s TYR 66 CO 0.18 -0.81 0.59 0.41 -1.52 0.00 0.00 175.55 174.41 3gvg n GLY 67 N -0.30 1.35 3.63 5.49 0.00 -0.24 -0.47 105.19 114.66 3gvg n GLY 67 Ca -0.02 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 3gvg n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvg s ALA 68 N -1.95 3.22 -1.88 4.61 0.00 -0.50 -3.38 121.76 121.87 3gvg s ALA 68 Ca 0.14 -2.04 0.25 0.00 0.00 0.00 0.00 51.96 50.31 3gvg s ALA 68 Cb -0.03 -0.27 0.40 0.00 0.00 0.00 0.00 23.12 23.22 3gvg s ALA 68 CO 0.10 0.02 1.35 1.04 0.00 0.00 0.00 175.76 178.27 3gvg n GLN 69 N -0.97 1.00 -3.62 0.00 6.02 -1.26 -0.29 117.38 118.26 3gvg n GLN 69 Ca -0.04 -0.72 -0.02 0.00 -0.01 0.00 0.00 57.00 56.21 3gvg n GLN 69 Cb 0.63 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 3gvg n GLN 69 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3gvg s ASP 70 N -2.49 -0.12 0.17 1.08 2.15 -1.19 -4.44 116.67 111.83 3gvg s ASP 70 Ca 0.22 -0.10 -0.20 0.00 0.43 0.00 0.00 52.55 52.90 3gvg s ASP 70 Cb 0.19 0.20 0.05 0.00 -0.30 0.00 0.00 42.92 43.05 3gvg s ASP 70 CO 0.55 -0.35 0.54 -1.48 -0.17 0.00 0.00 175.17 174.25 3gvg s LEU 71 N -2.64 -0.14 0.49 -1.34 2.34 -1.26 -4.87 118.68 111.25 3gvg s LEU 71 Ca 0.12 -0.23 -0.22 0.00 0.06 0.00 0.00 54.13 53.85 3gvg s LEU 71 Cb 0.02 2.30 -0.07 0.00 -0.56 0.00 0.00 46.19 47.88 3gvg s LEU 71 CO -0.04 -0.98 1.20 -0.55 -1.06 0.00 0.00 176.35 174.92 3gvg s SER 72 N -2.80 5.90 0.00 1.48 0.15 -0.01 -4.94 113.70 113.47 3gvg s SER 72 Ca 0.04 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.27 3gvg s SER 72 Cb -0.01 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.50 3gvg s SER 72 CO -0.09 -1.11 1.58 -0.81 1.20 0.00 0.00 173.24 174.01 3gvg n PRO 73 N -0.72 0.04 -4.01 5.44 -0.04 -1.26 -4.65 135.00 129.80 3gvg n PRO 73 Ca 0.09 0.18 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 3gvg n PRO 73 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 3gvg n PRO 73 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gvg s HIS 74 N -2.94 3.34 0.03 0.54 3.76 -1.26 -4.79 115.29 113.96 3gvg s HIS 74 Ca 0.10 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.92 3gvg s HIS 74 Cb 0.12 -1.57 -0.32 0.00 1.11 0.00 0.00 32.58 31.92 3gvg s HIS 74 CO 0.33 0.50 0.96 -0.44 -0.85 0.00 0.00 174.74 175.24 3gvg h ASP 75 N 1.89 0.65 -5.07 1.40 3.32 -1.99 -3.42 116.42 113.19 3gvg h ASP 75 Ca -0.49 -0.75 0.09 0.00 0.02 0.00 0.00 57.03 55.90 3gvg h ASP 75 Cb 1.21 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 3gvg h ASP 75 CO 0.64 1.60 0.33 -0.94 -1.72 0.00 0.00 179.24 179.15 3gvg s SER 76 N -7.35 -0.29 0.00 6.45 1.04 -1.26 -4.66 113.70 107.63 3gvg s SER 76 Ca -0.09 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3gvg s SER 76 Cb 0.05 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3gvg s SER 76 CO 0.90 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3gvg n GLY 77 N -0.43 0.45 2.92 7.32 0.00 -1.26 -4.91 105.19 109.28 3gvg n GLY 77 Ca -0.07 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.51 3gvg n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvg n ALA 78 N -1.00 5.21 -3.20 4.61 0.00 -1.26 -4.66 120.51 120.21 3gvg n ALA 78 Ca 0.00 -4.25 -0.23 0.00 0.00 0.00 0.00 53.44 48.96 3gvg n ALA 78 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 3gvg n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gvg n TYR 79 N 4.39 1.25 -1.63 0.00 4.01 -1.26 -5.10 117.16 118.82 3gvg n TYR 79 Ca 0.41 -3.82 -0.49 0.00 -0.16 0.00 0.00 57.90 53.85 3gvg n TYR 79 Cb 0.37 -0.43 -0.05 0.00 -0.31 0.00 0.00 39.34 38.92 3gvg n TYR 79 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3gvg n THR 80 N 0.76 0.15 0.00 -0.72 -1.04 -1.26 -1.39 114.28 110.77 3gvg n THR 80 Ca 0.25 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3gvg n THR 80 Cb 0.52 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 3gvg n THR 80 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvg n GLY 81 N 2.82 2.34 3.93 3.41 0.00 -1.26 -5.05 105.19 111.38 3gvg n GLY 81 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3gvg n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvg s ASP 82 N -1.53 6.38 -0.11 1.61 1.01 -0.49 -5.09 116.67 118.46 3gvg s ASP 82 Ca 0.00 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.68 3gvg s ASP 82 Cb 0.00 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 3gvg s ASP 82 CO 0.00 -0.05 -0.17 -0.69 0.21 0.00 0.00 175.17 174.47 3gvg s VAL 83 N -1.88 2.72 0.25 -1.27 1.01 -1.26 -5.00 120.40 114.96 3gvg s VAL 83 Ca 0.38 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3gvg s VAL 83 Cb -0.11 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 3gvg s VAL 83 CO 0.29 0.55 0.63 -0.55 0.00 0.00 0.00 175.10 176.02 3gvg s SER 84 N 0.16 6.75 0.55 3.32 0.15 -1.26 -0.83 113.70 122.54 3gvg s SER 84 Ca -0.09 1.11 0.24 0.00 0.70 0.00 0.00 55.95 57.91 3gvg s SER 84 Cb -0.16 -2.30 1.57 0.00 -1.71 0.00 0.00 66.02 63.42 3gvg s SER 84 CO 0.06 -0.08 2.19 1.23 1.20 0.00 0.00 173.24 177.84 3gvg h GLY 85 N 2.70 0.00 1.31 9.45 0.00 -1.82 -0.81 103.07 113.90 3gvg h GLY 85 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3gvg h GLY 85 CO 0.67 0.00 0.32 0.00 0.00 0.00 0.00 176.54 177.52 3gvg h ALA 86 N 1.98 1.36 -0.40 3.60 0.00 -1.92 -0.09 119.26 123.79 3gvg h ALA 86 Ca -0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3gvg h ALA 86 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gvg h ALA 86 CO 0.00 0.51 -0.30 0.74 0.00 0.00 0.00 179.25 180.20 3gvg h PHE 87 N 0.90 1.06 -0.56 0.00 0.04 -1.51 -1.51 116.94 115.36 3gvg h PHE 87 Ca 0.22 -0.30 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 3gvg h PHE 87 Cb 0.08 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3gvg h PHE 87 CO 0.01 1.11 0.15 -0.07 -0.60 0.00 0.00 178.31 178.90 3gvg h LEU 88 N 0.72 0.84 -0.56 1.54 3.38 -1.23 -1.96 115.31 118.04 3gvg h LEU 88 Ca 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3gvg h LEU 88 Cb 0.88 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3gvg h LEU 88 CO 0.08 0.85 0.25 0.00 0.09 0.00 0.00 178.44 179.70 3gvg h ALA 89 N 1.02 0.73 -0.07 1.53 0.00 -0.91 -1.74 119.26 119.82 3gvg h ALA 89 Ca 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3gvg h ALA 89 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gvg h ALA 89 CO -0.00 0.32 -0.22 -0.22 0.00 0.00 0.00 179.25 179.13 3gvg h LYS 90 N 0.76 0.12 0.00 0.00 1.63 -1.06 -0.46 116.57 117.57 3gvg h LYS 90 Ca 0.19 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3gvg h LYS 90 Cb 0.16 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3gvg h LYS 90 CO -0.02 0.34 0.00 1.28 -3.45 0.00 0.00 179.45 177.60 3gvg n LEU 91 N -4.23 0.00 -0.10 5.20 4.77 -0.75 -4.93 117.00 116.95 3gvg n LEU 91 Ca -0.02 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 3gvg n LEU 91 Cb 0.31 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3gvg n LEU 91 CO 0.38 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.04 3gvg n GLY 92 N 0.93 0.50 3.77 -0.72 0.00 -0.18 -4.79 105.19 104.70 3gvg n GLY 92 Ca 0.22 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3gvg n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvg h SER 94 N 3.56 0.22 -3.36 0.00 0.02 -1.11 -3.44 113.55 109.44 3gvg h SER 94 Ca -0.49 -0.49 -0.46 0.00 -0.84 0.00 0.00 61.79 59.51 3gvg h SER 94 Cb 1.23 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 3gvg h SER 94 CO 0.67 1.44 -0.75 -0.31 -1.14 0.00 0.00 176.83 176.74 3gvg s TYR 95 N -2.58 1.71 -0.10 3.45 2.02 -1.16 -1.03 117.35 119.66 3gvg s TYR 95 Ca -0.13 -0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 55.97 3gvg s TYR 95 Cb 0.07 -0.81 0.05 0.00 -0.40 0.00 0.00 41.96 40.87 3gvg s TYR 95 CO 0.80 0.33 0.22 0.54 -1.57 0.00 0.00 175.55 175.88 3gvg s VAL 96 N -2.68 -0.14 0.09 0.71 0.11 -0.67 -1.40 120.40 116.41 3gvg s VAL 96 Ca 0.20 0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 3gvg s VAL 96 Cb -0.02 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.41 3gvg s VAL 96 CO 0.06 0.08 1.08 -0.69 -3.33 0.00 0.00 175.10 172.31 3gvg s VAL 97 N 1.58 4.26 -0.01 2.04 1.01 0.60 -0.31 120.40 129.57 3gvg s VAL 97 Ca -0.06 1.74 0.04 0.00 0.00 0.00 0.00 61.98 63.71 3gvg s VAL 97 Cb -0.11 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3gvg s VAL 97 CO -0.08 0.20 -0.14 0.68 0.00 0.00 0.00 175.10 175.76 3gvg s VAL 98 N 0.52 1.14 -0.53 2.92 -7.23 -0.43 -3.16 120.40 113.64 3gvg s VAL 98 Ca 0.53 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 3gvg s VAL 98 Cb -0.26 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3gvg s VAL 98 CO 0.31 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 176.03 3gvg n GLY 99 N 2.75 0.69 3.68 2.32 0.00 -1.26 -1.31 105.19 112.06 3gvg n GLY 99 Ca -0.14 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3gvg n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gvg n HIS 100 N -3.02 2.04 -0.16 1.61 -0.00 -1.26 -4.38 115.22 110.04 3gvg n HIS 100 Ca -0.05 0.55 0.18 0.00 0.46 0.00 0.00 57.72 58.86 3gvg n HIS 100 Cb 0.23 -2.37 0.56 0.00 -0.12 0.00 0.00 29.99 28.29 3gvg n HIS 100 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 3gvg h SER 101 N 2.25 0.29 -0.42 0.26 4.64 -1.94 0.54 113.55 119.16 3gvg h SER 101 Ca -0.46 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 3gvg h SER 101 Cb 1.30 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3gvg h SER 101 CO 0.61 0.14 0.07 -0.33 -0.87 0.00 0.00 176.83 176.45 3gvg h GLU 102 N 0.30 0.77 0.00 4.77 5.08 -1.99 -0.34 114.58 123.17 3gvg h GLU 102 Ca 0.38 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 58.33 3gvg h GLU 102 Cb 1.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3gvg h GLU 102 CO -0.10 0.73 -0.96 0.00 -1.00 0.00 0.00 179.01 177.69 3gvg h ARG 103 N 0.74 0.45 -0.69 2.33 3.08 -1.28 0.51 114.38 119.51 3gvg h ARG 103 Ca 0.16 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 3gvg h ARG 103 Cb 0.34 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3gvg h ARG 103 CO 0.01 1.14 0.40 0.00 -1.07 0.00 0.00 179.97 180.45 3gvg h ARG 104 N 0.25 0.94 0.00 0.04 3.08 -0.98 -1.04 114.38 116.66 3gvg h ARG 104 Ca -0.09 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 3gvg h ARG 104 Cb 1.59 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 3gvg h ARG 104 CO 0.17 0.67 -0.61 1.15 -1.07 0.00 0.00 179.97 180.27 3gvg h THR 105 N 0.95 0.81 0.00 2.04 2.02 -1.02 -3.05 112.91 114.66 3gvg h THR 105 Ca 0.25 -1.80 -0.09 0.00 0.77 0.00 0.00 66.41 65.53 3gvg h THR 105 Cb -0.02 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3gvg h THR 105 CO -0.04 0.27 -0.47 1.88 0.37 0.00 0.00 175.52 177.53 3gvg h TYR 106 N -1.00 0.00 0.00 3.16 0.05 -0.99 -3.36 116.97 114.83 3gvg h TYR 106 Ca -0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3gvg h TYR 106 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 3gvg h TYR 106 CO 0.06 0.42 -0.03 0.72 -1.05 0.00 0.00 178.16 178.28 3gvg n HIS 107 N -3.18 0.00 -3.70 4.88 8.25 -0.41 -5.02 115.22 116.03 3gvg n HIS 107 Ca 0.02 -0.74 -0.23 0.00 -0.26 0.00 0.00 57.72 56.51 3gvg n HIS 107 Cb 0.71 -0.11 0.04 0.00 1.12 0.00 0.00 29.99 31.75 3gvg n HIS 107 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvg n ASN 108 N -0.99 -2.31 -4.59 0.41 5.03 -1.13 -4.90 115.26 106.77 3gvg n ASN 108 Ca 0.09 -0.77 -0.39 0.00 0.87 0.00 0.00 54.58 54.38 3gvg n ASN 108 Cb 0.51 -4.21 -0.09 0.00 -1.02 0.00 0.00 39.78 34.96 3gvg n ASN 108 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3gvg s GLU 109 N -6.05 3.89 0.53 3.52 2.02 -1.16 -5.02 118.70 116.43 3gvg s GLU 109 Ca 0.17 -0.12 0.07 0.00 0.02 0.00 0.00 54.97 55.11 3gvg s GLU 109 Cb -0.08 -3.69 0.05 0.00 0.10 0.00 0.00 34.13 30.51 3gvg s GLU 109 CO 0.80 -0.33 0.72 0.16 0.02 0.00 0.00 175.26 176.64 3gvg s ASP 110 N 1.68 5.26 0.26 -0.19 1.47 -1.26 -4.43 116.67 119.47 3gvg s ASP 110 Ca 0.13 -0.53 -0.02 0.00 1.18 0.00 0.00 52.55 53.31 3gvg s ASP 110 Cb -0.16 -0.25 0.46 0.00 -0.34 0.00 0.00 42.92 42.63 3gvg s ASP 110 CO 0.11 -1.15 1.81 0.44 0.68 0.00 0.00 175.17 177.06 3gvg h ASP 111 N 0.27 0.73 -0.68 2.11 3.32 -1.94 -1.61 116.42 118.62 3gvg h ASP 111 Ca -0.36 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 3gvg h ASP 111 Cb 1.28 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 3gvg h ASP 111 CO 0.44 0.39 0.33 0.00 -1.72 0.00 0.00 179.24 178.68 3gvg h ALA 112 N 1.49 0.88 -0.56 3.45 0.00 -1.95 0.10 119.26 122.67 3gvg h ALA 112 Ca 0.43 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3gvg h ALA 112 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gvg h ALA 112 CO -0.27 0.44 0.06 1.25 0.00 0.00 0.00 179.25 180.72 3gvg h LEU 113 N 0.95 0.92 -0.51 0.00 5.85 -1.80 -1.50 115.31 119.21 3gvg h LEU 113 Ca 0.23 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3gvg h LEU 113 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3gvg h LEU 113 CO -0.03 0.97 0.33 0.58 -0.34 0.00 0.00 178.44 179.95 3gvg h VAL 114 N 0.84 1.12 -0.86 1.05 2.07 -0.78 0.11 116.25 119.80 3gvg h VAL 114 Ca 0.17 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gvg h VAL 114 Cb 0.46 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gvg h VAL 114 CO 0.02 0.12 0.51 0.00 0.02 0.00 0.00 177.57 178.24 3gvg h ALA 115 N 1.19 1.28 -0.43 1.67 0.00 -0.51 0.68 119.26 123.13 3gvg h ALA 115 Ca 0.19 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3gvg h ALA 115 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3gvg h ALA 115 CO -0.05 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 3gvg h ALA 116 N 1.37 0.58 -0.73 0.00 0.00 -0.92 -1.42 119.26 118.15 3gvg h ALA 116 Ca 0.31 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3gvg h ALA 116 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3gvg h ALA 116 CO -0.06 0.37 0.24 0.87 0.00 0.00 0.00 179.25 180.67 3gvg h LYS 117 N 0.60 1.13 -0.43 0.00 1.57 -0.51 -1.09 116.57 117.84 3gvg h LYS 117 Ca 0.12 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3gvg h LYS 117 Cb 0.49 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3gvg h LYS 117 CO 0.02 0.96 0.25 0.00 -0.57 0.00 0.00 179.45 180.11 3gvg h ALA 118 N 1.12 0.55 -0.61 3.86 0.00 -0.73 0.96 119.26 124.42 3gvg h ALA 118 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gvg h ALA 118 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gvg h ALA 118 CO -0.01 0.05 0.25 0.00 0.00 0.00 0.00 179.25 179.54 3gvg h ALA 119 N 1.11 0.79 -0.42 0.00 0.00 -1.07 -1.98 119.26 117.68 3gvg h ALA 119 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3gvg h ALA 119 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gvg h ALA 119 CO -0.03 0.39 -0.12 1.15 0.00 0.00 0.00 179.25 180.65 3gvg h THR 120 N 0.84 1.26 -0.28 0.00 2.02 -0.85 -1.38 112.91 114.51 3gvg h THR 120 Ca 0.20 -1.17 0.05 0.00 0.77 0.00 0.00 66.41 66.26 3gvg h THR 120 Cb 0.19 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3gvg h THR 120 CO -0.02 0.40 0.01 0.00 0.37 0.00 0.00 175.52 176.28 3gvg h ALA 121 N 1.18 0.26 -0.42 6.16 0.00 -0.53 -2.56 119.26 123.35 3gvg h ALA 121 Ca 0.12 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gvg h ALA 121 Cb 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3gvg h ALA 121 CO 0.04 -0.40 0.05 -0.07 0.00 0.00 0.00 179.25 178.86 3gvg h LEU 122 N 0.09 0.60 -1.97 0.00 3.38 -0.97 -1.29 115.31 115.16 3gvg h LEU 122 Ca 0.14 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.09 3gvg h LEU 122 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3gvg h LEU 122 CO -0.22 0.64 0.25 0.50 0.09 0.00 0.00 178.44 179.70 3gvg h LYS 123 N 0.62 0.04 -0.63 1.13 3.64 -0.87 -1.54 116.57 118.95 3gvg h LYS 123 Ca 0.13 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3gvg h LYS 123 Cb 0.32 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3gvg h LYS 123 CO 0.01 0.02 0.00 0.72 -2.27 0.00 0.00 179.45 177.93 3gvg n HIS 124 N -4.44 1.43 -1.14 1.91 8.25 -0.73 -4.95 115.22 115.55 3gvg n HIS 124 Ca 0.05 -0.61 -0.05 0.00 -0.26 0.00 0.00 57.72 56.85 3gvg n HIS 124 Cb 0.40 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 3gvg n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gvg n GLY 125 N 1.07 0.76 3.91 -1.41 0.00 -0.58 -4.71 105.19 104.23 3gvg n GLY 125 Ca 0.25 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3gvg n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvg s LEU 126 N -1.13 4.31 -0.51 0.99 1.43 -0.57 -4.97 118.68 118.23 3gvg s LEU 126 Ca 0.00 0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 3gvg s LEU 126 Cb 0.00 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 43.12 3gvg s LEU 126 CO 0.00 0.10 0.66 -0.89 0.23 0.00 0.00 176.35 176.45 3gvg s THR 127 N -1.60 4.82 0.34 5.49 2.01 -0.20 -3.79 115.64 122.71 3gvg s THR 127 Ca 0.38 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.74 3gvg s THR 127 Cb -0.12 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 67.97 3gvg s THR 127 CO 0.26 -0.82 1.18 -2.16 -0.69 0.00 0.00 174.62 172.39 3gvg s PRO 128 N 2.79 4.35 -0.50 4.92 0.04 -1.26 -1.66 135.00 143.67 3gvg s PRO 128 Ca 0.17 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3gvg s PRO 128 Cb -0.18 -2.96 0.12 0.00 0.04 0.00 0.00 34.50 31.52 3gvg s PRO 128 CO 0.13 -0.09 0.41 0.42 0.04 0.00 0.00 177.00 177.91 3gvg s ILE 129 N -1.26 4.63 -0.30 0.56 1.01 0.58 -1.26 121.20 125.16 3gvg s ILE 129 Ca 0.50 -1.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.30 3gvg s ILE 129 Cb -0.33 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3gvg s ILE 129 CO 0.43 -0.81 0.63 -0.69 0.00 0.00 0.00 174.94 174.50 3gvg s VAL 130 N 1.46 4.95 -0.14 2.92 1.01 0.83 -1.31 120.40 130.12 3gvg s VAL 130 Ca 0.05 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 62.81 3gvg s VAL 130 Cb -0.28 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3gvg s VAL 130 CO 0.01 -0.12 0.18 0.00 0.00 0.00 0.00 175.10 175.17 3gvg s ILE 132 N -0.47 0.45 0.00 0.00 -4.36 -0.61 -4.63 121.20 111.58 3gvg s ILE 132 Ca 0.14 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3gvg s ILE 132 Cb -0.12 -1.45 0.00 0.00 1.25 0.00 0.00 42.46 42.14 3gvg s ILE 132 CO 0.03 -0.87 0.00 0.61 0.24 0.00 0.00 174.94 174.95 3gvg n GLY 133 N 0.23 2.21 3.93 6.27 0.00 -1.26 -0.37 105.19 116.20 3gvg n GLY 133 Ca -0.14 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 3gvg n GLY 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gvg s GLU 134 N -2.00 3.41 0.75 1.61 1.03 -1.25 -4.77 118.70 117.48 3gvg s GLU 134 Ca 0.00 -0.56 -0.09 0.00 0.03 0.00 0.00 54.97 54.35 3gvg s GLU 134 Cb 0.00 -2.97 0.07 0.00 -0.80 0.00 0.00 34.13 30.42 3gvg s GLU 134 CO 0.00 0.55 1.09 -1.01 -1.33 0.00 0.00 175.26 174.55 3gvg s HIS 135 N -1.66 2.94 0.32 4.83 3.76 -1.26 -2.00 115.29 122.22 3gvg s HIS 135 Ca 0.34 0.59 0.05 0.00 -0.15 0.00 0.00 55.06 55.89 3gvg s HIS 135 Cb -0.12 -3.32 0.55 0.00 1.11 0.00 0.00 32.58 30.81 3gvg s HIS 135 CO 0.28 -1.56 1.82 1.25 -0.85 0.00 0.00 174.74 175.68 3gvg h LEU 136 N -0.79 0.43 -0.98 0.89 5.85 -1.86 -2.13 115.31 116.71 3gvg h LEU 136 Ca -0.45 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.18 3gvg h LEU 136 Cb 1.32 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3gvg h LEU 136 CO 0.63 0.60 0.65 -2.24 -0.34 0.00 0.00 178.44 177.73 3gvg h ASP 137 N 0.41 1.10 -0.20 1.25 2.03 -1.96 0.35 116.42 119.39 3gvg h ASP 137 Ca 0.08 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.28 3gvg h ASP 137 Cb 0.49 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.72 3gvg h ASP 137 CO 0.03 0.77 -0.18 0.58 -1.03 0.00 0.00 179.24 179.41 3gvg h VAL 138 N 1.28 1.33 -0.48 4.15 2.07 -1.79 -1.93 116.25 120.89 3gvg h VAL 138 Ca 0.38 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.61 3gvg h VAL 138 Cb -0.07 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3gvg h VAL 138 CO -0.10 0.41 0.22 -0.09 0.02 0.00 0.00 177.57 178.02 3gvg h ARG 139 N 0.16 0.41 -0.44 1.57 9.65 -0.91 -2.33 114.38 122.50 3gvg h ARG 139 Ca 0.03 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3gvg h ARG 139 Cb 0.72 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 3gvg h ARG 139 CO 0.05 0.27 0.05 0.93 2.80 0.00 0.00 179.97 184.07 3gvg h GLU 140 N 0.43 0.69 0.00 0.20 5.08 -0.21 -0.63 114.58 120.13 3gvg h GLU 140 Ca 0.21 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gvg h GLU 140 Cb 0.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3gvg h GLU 140 CO -0.17 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 3gvg n ALA 141 N -2.47 1.62 -1.31 3.43 0.00 -0.74 -4.88 120.51 116.15 3gvg n ALA 141 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 3gvg n ALA 141 Cb 0.25 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 3gvg n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvg n GLY 142 N -0.20 0.68 0.79 0.00 0.00 -0.24 -4.93 105.19 101.29 3gvg n GLY 142 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3gvg n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvg n ASN 143 N 1.12 3.40 -0.30 1.61 3.02 -0.90 -4.70 115.26 118.52 3gvg n ASN 143 Ca -0.05 -2.44 -0.01 0.00 -0.03 0.00 0.00 54.58 52.05 3gvg n ASN 143 Cb 0.24 -0.37 0.12 0.00 -0.61 0.00 0.00 39.78 39.15 3gvg n ASN 143 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3gvg h HIS 144 N 2.02 0.95 0.07 3.10 2.07 -1.85 -1.66 115.15 119.85 3gvg h HIS 144 Ca 0.00 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.54 3gvg h HIS 144 Cb 1.06 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.73 3gvg h HIS 144 CO 0.36 0.51 -0.03 0.28 -3.07 0.00 0.00 177.93 175.99 3gvg h VAL 145 N 0.96 1.03 -0.74 6.12 2.07 -1.96 -2.07 116.25 121.67 3gvg h VAL 145 Ca 0.34 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3gvg h VAL 145 Cb 0.10 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3gvg h VAL 145 CO -0.15 0.08 0.32 0.00 0.02 0.00 0.00 177.57 177.84 3gvg h ALA 146 N 0.70 1.18 -0.48 1.67 0.00 -1.89 -1.02 119.26 119.40 3gvg h ALA 146 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3gvg h ALA 146 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gvg h ALA 146 CO 0.02 0.61 0.16 1.25 0.00 0.00 0.00 179.25 181.28 3gvg h HIS 147 N 1.06 0.77 -0.70 0.00 6.17 -1.29 -1.23 115.15 119.93 3gvg h HIS 147 Ca 0.25 -0.07 -0.07 0.00 0.71 0.00 0.00 60.37 61.19 3gvg h HIS 147 Cb 0.16 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 3gvg h HIS 147 CO 0.02 0.67 0.18 -0.91 0.71 0.00 0.00 177.93 178.59 3gvg h ASN 148 N 0.65 1.06 -0.46 3.26 2.35 -0.78 -0.72 115.58 120.94 3gvg h ASN 148 Ca 0.16 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3gvg h ASN 148 Cb 0.26 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3gvg h ASN 148 CO -0.01 1.01 0.18 0.40 -1.65 0.00 0.00 177.43 177.36 3gvg h ILE 149 N 1.06 1.21 -0.64 2.81 1.08 -0.93 0.32 117.51 122.42 3gvg h ILE 149 Ca 0.22 -0.64 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 3gvg h ILE 149 Cb 0.36 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 3gvg h ILE 149 CO 0.00 0.24 0.14 -0.33 -0.69 0.00 0.00 178.15 177.51 3gvg h GLU 150 N 0.60 1.04 -0.37 2.37 5.08 -0.95 -0.62 114.58 121.72 3gvg h GLU 150 Ca 0.15 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3gvg h GLU 150 Cb 0.20 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3gvg h GLU 150 CO -0.01 0.95 -0.20 0.37 -1.00 0.00 0.00 179.01 179.12 3gvg h GLN 151 N 0.96 0.71 -0.14 2.33 4.15 -0.78 -1.66 115.11 120.69 3gvg h GLN 151 Ca 0.20 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3gvg h GLN 151 Cb 0.39 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3gvg h GLN 151 CO 0.01 0.86 0.06 1.25 -1.93 0.00 0.00 178.83 179.07 3gvg h LEU 152 N 0.63 0.19 -0.65 -2.39 5.85 -0.71 -0.02 115.31 118.20 3gvg h LEU 152 Ca 0.09 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3gvg h LEU 152 Cb 0.68 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3gvg h LEU 152 CO 0.05 0.29 0.42 0.03 -0.34 0.00 0.00 178.44 178.89 3gvg h ARG 153 N 0.07 0.82 -0.31 1.25 3.08 -0.93 -1.33 114.38 117.02 3gvg h ARG 153 Ca 0.05 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3gvg h ARG 153 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3gvg h ARG 153 CO -0.00 0.54 -0.31 0.78 -1.07 0.00 0.00 179.97 179.91 3gvg h GLY 154 N 0.84 0.73 1.91 0.04 0.00 -1.16 -2.15 103.07 103.28 3gvg h GLY 154 Ca 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3gvg h GLY 154 CO -0.08 0.61 0.00 1.44 0.00 0.00 0.00 176.54 178.51 3gvg n SER 155 N -4.08 0.00 -0.24 0.19 7.64 -0.03 -2.85 113.62 114.25 3gvg n SER 155 Ca -0.01 0.36 0.02 0.00 1.01 0.00 0.00 58.87 60.25 3gvg n SER 155 Cb 0.47 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 63.27 3gvg n SER 155 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gvg n LEU 156 N -1.45 2.15 -4.68 -3.43 4.77 -0.53 -3.16 117.00 110.66 3gvg n LEU 156 Ca 0.08 -1.79 -0.44 0.00 -0.03 0.00 0.00 56.01 53.84 3gvg n LEU 156 Cb 0.31 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3gvg n LEU 156 CO 0.25 0.53 1.01 0.00 -1.33 0.00 0.00 177.39 177.85 3gvg n ALA 157 N -0.02 1.28 0.00 -1.18 0.00 -0.82 -1.61 120.51 118.15 3gvg n ALA 157 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3gvg n ALA 157 Cb 0.28 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3gvg n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvg n GLY 158 N 1.83 2.40 3.76 0.00 0.00 -1.26 -4.80 105.19 107.12 3gvg n GLY 158 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3gvg n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvg s LEU 159 N 0.00 4.63 0.75 0.99 1.43 -0.64 -5.05 118.68 120.79 3gvg s LEU 159 Ca 0.00 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 3gvg s LEU 159 Cb 0.00 -3.50 0.04 0.00 0.03 0.00 0.00 46.19 42.76 3gvg s LEU 159 CO 0.00 0.17 1.12 -0.76 0.23 0.00 0.00 176.35 177.11 3gvg s LEU 160 N -1.12 2.74 0.21 1.79 1.43 -1.26 -4.81 118.68 117.65 3gvg s LEU 160 Ca 0.39 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.43 3gvg s LEU 160 Cb -0.25 -3.71 0.26 0.00 0.03 0.00 0.00 46.19 42.52 3gvg s LEU 160 CO 0.30 -1.58 1.76 0.00 0.23 0.00 0.00 176.35 177.06 3gvg h ALA 161 N -0.83 0.81 0.00 4.21 0.00 -1.93 -0.24 119.26 121.28 3gvg h ALA 161 Ca -0.46 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3gvg h ALA 161 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gvg h ALA 161 CO 0.64 -0.13 -0.13 1.05 0.00 0.00 0.00 179.25 180.68 3gvg h GLU 162 N 0.48 0.00 -0.14 0.00 9.09 -1.94 -1.89 114.58 120.18 3gvg h GLU 162 Ca 0.30 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.49 3gvg h GLU 162 Cb 0.33 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.43 3gvg h GLU 162 CO -0.27 0.13 -0.79 1.96 0.05 0.00 0.00 179.01 180.09 3gvg h GLN 163 N 0.00 0.75 -0.49 1.06 4.20 -1.47 -2.99 115.11 116.16 3gvg h GLN 163 Ca -0.00 -0.62 -0.02 0.00 0.06 0.00 0.00 58.65 58.07 3gvg h GLN 163 Cb 0.61 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3gvg h GLN 163 CO 0.02 1.23 0.24 0.82 -0.67 0.00 0.00 178.83 180.47 3gvg h ILE 164 N 0.50 1.16 0.00 2.54 2.04 -0.47 -0.19 117.51 123.11 3gvg h ILE 164 Ca -0.05 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3gvg h ILE 164 Cb 1.42 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3gvg h ILE 164 CO 0.16 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.11 3gvg n GLY 165 N -1.24 -0.82 0.70 5.37 0.00 -0.77 -2.32 105.19 106.11 3gvg n GLY 165 Ca 0.04 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3gvg n GLY 165 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvg n SER 166 N -1.87 2.58 -4.94 1.61 7.64 -0.09 -4.84 113.62 113.71 3gvg n SER 166 Ca 0.00 -1.75 -0.19 0.00 1.01 0.00 0.00 58.87 57.94 3gvg n SER 166 Cb 0.07 -0.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 3gvg n SER 166 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gvg s VAL 167 N -1.20 3.67 0.02 0.44 -7.23 -0.98 -4.41 120.40 110.71 3gvg s VAL 167 Ca 0.22 -1.13 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3gvg s VAL 167 Cb 0.14 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 3gvg s VAL 167 CO 0.20 -0.13 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.95 3gvg s VAL 168 N -2.26 2.44 -0.04 1.32 1.01 -0.39 -4.37 120.40 118.10 3gvg s VAL 168 Ca 0.45 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3gvg s VAL 168 Cb -0.08 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3gvg s VAL 168 CO 0.30 0.44 -0.03 -0.63 0.00 0.00 0.00 175.10 175.18 3gvg s ILE 169 N -0.79 4.00 -0.10 2.22 -1.09 -0.55 -0.12 121.20 124.77 3gvg s ILE 169 Ca 0.12 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3gvg s ILE 169 Cb -0.10 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3gvg s ILE 169 CO 0.02 0.51 -0.16 0.00 -1.23 0.00 0.00 174.94 174.08 3gvg s ALA 170 N -0.94 1.68 -0.33 9.38 0.00 -0.20 0.13 121.76 131.47 3gvg s ALA 170 Ca 0.15 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 3gvg s ALA 170 Cb -0.11 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 3gvg s ALA 170 CO 0.05 -0.02 0.44 -0.47 0.00 0.00 0.00 175.76 175.76 3gvg s TYR 171 N 0.89 3.20 -0.39 0.00 5.04 -0.12 -1.58 117.35 124.39 3gvg s TYR 171 Ca -0.09 0.15 -0.14 0.00 -2.44 0.00 0.00 57.07 54.56 3gvg s TYR 171 Cb -0.15 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.40 3gvg s TYR 171 CO 0.00 -0.45 0.27 -1.21 -1.34 0.00 0.00 175.55 172.81 3gvg s GLU 172 N 2.21 2.96 -1.25 4.97 2.02 0.50 0.09 118.70 130.20 3gvg s GLU 172 Ca 0.16 -1.02 -0.20 0.00 0.02 0.00 0.00 54.97 53.93 3gvg s GLU 172 Cb -0.16 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.18 3gvg s GLU 172 CO 0.12 -0.71 1.84 -0.35 0.02 0.00 0.00 175.26 176.17 3gvg n PRO 173 N 5.10 2.52 0.24 0.39 -0.04 -1.26 -3.96 135.00 137.99 3gvg n PRO 173 Ca -0.11 -2.91 0.08 0.00 -0.04 0.00 0.00 63.50 60.52 3gvg n PRO 173 Cb 0.47 -3.57 0.59 0.00 -0.04 0.00 0.00 33.50 30.95 3gvg n PRO 173 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gvg h VAL 174 N 5.73 0.94 0.00 0.52 2.07 -1.84 0.26 116.25 123.92 3gvg h VAL 174 Ca 0.36 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gvg h VAL 174 Cb 0.88 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3gvg h VAL 174 CO 1.39 0.15 0.00 4.11 0.02 0.00 0.00 177.57 183.24 3gvg h TRP 175 N 0.00 0.00 -0.57 1.57 5.08 -1.67 -1.77 115.95 118.59 3gvg h TRP 175 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3gvg h TRP 175 Cb 0.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3gvg h TRP 175 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 3gvg n ALA 176 N -1.85 2.42 -2.61 0.11 0.00 0.08 -4.63 120.51 114.05 3gvg n ALA 176 Ca -0.01 -1.33 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 3gvg n ALA 176 Cb 0.10 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 3gvg n ALA 176 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gvg s ILE 177 N -1.19 5.02 -1.24 0.00 1.01 -0.67 -4.44 121.20 119.70 3gvg s ILE 177 Ca 0.40 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3gvg s ILE 177 Cb 0.22 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3gvg s ILE 177 CO 0.25 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3gvg n GLY 178 N 5.09 1.26 0.07 6.18 0.00 -1.26 -4.83 105.19 111.70 3gvg n GLY 178 Ca -0.12 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.58 3gvg n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gvg n THR 179 N -2.60 0.00 -0.55 2.61 -2.24 -1.26 -4.99 114.28 105.26 3gvg n THR 179 Ca -0.12 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3gvg n THR 179 Cb 0.42 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3gvg n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gvg n GLY 180 N 1.18 1.47 3.83 3.38 0.00 -1.26 -5.03 105.19 108.76 3gvg n GLY 180 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3gvg n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gvg s ARG 181 N -0.11 4.05 -0.06 1.61 1.81 -1.26 -5.08 118.95 119.92 3gvg s ARG 181 Ca 0.00 1.05 0.04 0.00 -1.72 0.00 0.00 55.73 55.11 3gvg s ARG 181 Cb 0.00 -2.15 -0.00 0.00 -0.45 0.00 0.00 34.95 32.35 3gvg s ARG 181 CO 0.00 -0.18 -0.20 0.08 -0.68 0.00 0.00 175.30 174.32 3gvg s VAL 182 N -2.40 1.64 -0.16 3.52 1.01 -1.26 -4.63 120.40 118.14 3gvg s VAL 182 Ca 0.61 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3gvg s VAL 182 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3gvg s VAL 182 CO 0.23 0.47 0.53 0.00 0.00 0.00 0.00 175.10 176.32 3gvg s ALA 183 N 0.10 3.50 0.64 5.51 0.00 -1.26 -5.06 121.76 125.20 3gvg s ALA 183 Ca -0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 3gvg s ALA 183 Cb -0.14 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.24 3gvg s ALA 183 CO 0.04 -0.24 0.95 -1.54 0.00 0.00 0.00 175.76 174.97 3gvg s SER 184 N 0.91 5.28 0.34 0.00 1.04 -1.26 -4.94 113.70 115.06 3gvg s SER 184 Ca 0.26 0.63 0.05 0.00 0.48 0.00 0.00 55.95 57.37 3gvg s SER 184 Cb -0.15 -1.47 0.70 0.00 0.10 0.00 0.00 66.02 65.20 3gvg s SER 184 CO 0.11 -1.29 1.91 0.00 0.98 0.00 0.00 173.24 174.94 3gvg h ALA 185 N -0.37 1.69 -0.64 5.32 0.00 -1.95 -1.35 119.26 121.97 3gvg h ALA 185 Ca -0.45 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3gvg h ALA 185 Cb 1.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3gvg h ALA 185 CO 0.61 0.14 0.14 0.00 0.00 0.00 0.00 179.25 180.13 3gvg h ALA 186 N 1.57 1.04 -0.71 0.00 0.00 -1.93 -0.30 119.26 118.93 3gvg h ALA 186 Ca 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gvg h ALA 186 Cb 0.42 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3gvg h ALA 186 CO -0.16 0.62 0.38 -0.44 0.00 0.00 0.00 179.25 179.65 3gvg h ASP 187 N 0.96 0.89 -0.32 0.00 3.32 -1.72 -1.07 116.42 118.48 3gvg h ASP 187 Ca 0.20 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3gvg h ASP 187 Cb 0.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3gvg h ASP 187 CO 0.00 0.74 0.06 0.00 -1.72 0.00 0.00 179.24 178.32 3gvg h ALA 188 N 1.19 0.42 -0.84 3.45 0.00 -0.95 -2.81 119.26 119.72 3gvg h ALA 188 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gvg h ALA 188 Cb 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3gvg h ALA 188 CO -0.04 0.11 0.43 0.37 0.00 0.00 0.00 179.25 180.12 3gvg h GLN 189 N 0.35 1.19 -0.40 0.00 5.75 -0.84 -0.15 115.11 121.01 3gvg h GLN 189 Ca 0.10 -0.16 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 3gvg h GLN 189 Cb 0.34 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 3gvg h GLN 189 CO 0.01 0.90 0.23 1.49 -2.65 0.00 0.00 178.83 178.80 3gvg h GLU 190 N 1.19 0.45 -0.17 1.69 4.81 -1.07 0.62 114.58 122.09 3gvg h GLU 190 Ca 0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 3gvg h GLU 190 Cb 0.08 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3gvg h GLU 190 CO -0.04 0.30 -0.26 0.28 -0.73 0.00 0.00 179.01 178.56 3gvg h VAL 191 N 0.47 1.35 -0.30 0.32 2.07 -1.23 -2.74 116.25 116.18 3gvg h VAL 191 Ca 0.16 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 3gvg h VAL 191 Cb 0.01 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3gvg h VAL 191 CO -0.08 0.45 -0.14 0.00 0.02 0.00 0.00 177.57 177.82 3gvg h ALA 193 N 1.38 1.05 -0.23 0.00 0.00 -0.89 -1.55 119.26 119.02 3gvg h ALA 193 Ca 0.08 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3gvg h ALA 193 Cb 0.53 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gvg h ALA 193 CO 0.03 0.57 -0.44 0.00 0.00 0.00 0.00 179.25 179.41 3gvg h ALA 194 N 1.24 0.81 -0.08 0.00 0.00 -1.01 -1.87 119.26 118.36 3gvg h ALA 194 Ca 0.29 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3gvg h ALA 194 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3gvg h ALA 194 CO -0.05 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.62 3gvg h ILE 195 N 0.46 0.82 -0.69 0.00 2.04 -0.62 -1.57 117.51 117.95 3gvg h ILE 195 Ca 0.03 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3gvg h ILE 195 Cb 0.95 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3gvg h ILE 195 CO 0.08 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.39 3gvg h ARG 196 N -0.07 1.03 -0.80 2.37 2.43 -1.01 0.31 114.38 118.64 3gvg h ARG 196 Ca 0.05 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3gvg h ARG 196 Cb 0.15 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3gvg h ARG 196 CO -0.12 0.86 0.39 -0.22 -1.51 0.00 0.00 179.97 179.37 3gvg h LYS 197 N 1.00 1.15 -0.37 0.20 3.64 -1.13 -1.42 116.57 119.65 3gvg h LYS 197 Ca 0.23 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 3gvg h LYS 197 Cb 0.23 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3gvg h LYS 197 CO -0.02 0.89 -0.38 1.49 -2.27 0.00 0.00 179.45 179.16 3gvg h GLU 198 N 1.13 0.88 -0.55 1.90 4.57 -0.73 -2.50 114.58 119.29 3gvg h GLU 198 Ca 0.28 -0.46 0.04 0.00 -1.18 0.00 0.00 59.36 58.03 3gvg h GLU 198 Cb 0.11 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3gvg h GLU 198 CO -0.04 1.10 0.36 -0.07 -1.18 0.00 0.00 179.01 179.19 3gvg h LEU 199 N 0.72 0.53 -1.38 1.64 3.38 -0.56 -0.67 115.31 118.97 3gvg h LEU 199 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gvg h LEU 199 Cb 0.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3gvg h LEU 199 CO 0.09 0.36 -0.16 0.00 0.09 0.00 0.00 178.44 178.83 3gvg h ALA 200 N 1.68 1.49 0.03 1.53 0.00 -0.82 0.39 119.26 123.56 3gvg h ALA 200 Ca 0.22 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3gvg h ALA 200 Cb 0.12 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.85 3gvg h ALA 200 CO -0.06 0.36 -0.83 0.77 0.00 0.00 0.00 179.25 179.49 3gvg h SER 201 N 0.20 0.67 1.22 0.00 0.02 -1.11 -2.89 113.55 111.66 3gvg h SER 201 Ca 0.04 -0.79 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 3gvg h SER 201 Cb 0.40 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3gvg h SER 201 CO 0.03 1.38 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.95 3gvg h LEU 202 N 0.04 0.00 0.00 5.07 3.38 -0.82 -3.43 115.31 119.55 3gvg h LEU 202 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3gvg h LEU 202 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3gvg h LEU 202 CO 0.16 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3gvg n ALA 203 N -2.13 0.00 -3.28 1.53 0.00 0.10 -4.38 120.51 112.34 3gvg n ALA 203 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 3gvg n ALA 203 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 3gvg n ALA 203 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gvg s SER 204 N 1.00 -0.35 0.23 0.00 1.04 -1.09 -4.95 113.70 109.58 3gvg s SER 204 Ca 0.00 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 3gvg s SER 204 Cb 0.00 0.56 0.37 0.00 0.10 0.00 0.00 66.02 67.05 3gvg s SER 204 CO 0.00 -0.99 1.76 -0.65 0.98 0.00 0.00 173.24 174.35 3gvg h PRO 205 N 2.17 0.53 -0.60 4.02 0.11 -1.89 0.93 132.00 137.28 3gvg h PRO 205 Ca -0.31 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 3gvg h PRO 205 Cb 1.28 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3gvg h PRO 205 CO 0.39 0.35 0.23 0.00 -0.21 0.00 0.00 178.00 178.76 3gvg h ARG 206 N 0.54 0.90 -0.26 1.05 3.08 -1.96 -1.13 114.38 116.60 3gvg h ARG 206 Ca 0.36 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 3gvg h ARG 206 Cb 0.44 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3gvg h ARG 206 CO -0.31 0.77 -0.26 0.82 -1.07 0.00 0.00 179.97 179.93 3gvg h ILE 207 N 0.83 1.31 -0.33 2.04 2.04 -1.81 -2.84 117.51 118.75 3gvg h ILE 207 Ca 0.20 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.67 3gvg h ILE 207 Cb 0.22 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3gvg h ILE 207 CO -0.01 0.45 0.22 0.00 0.00 0.00 0.00 178.15 178.80 3gvg h ALA 208 N 0.69 1.91 0.00 1.87 0.00 -0.59 -0.47 119.26 122.68 3gvg h ALA 208 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gvg h ALA 208 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gvg h ALA 208 CO 0.06 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 3gvg n ASP 209 N -4.49 0.08 0.01 0.00 8.00 -0.45 -2.39 116.55 117.31 3gvg n ASP 209 Ca 0.03 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.15 3gvg n ASP 209 Cb 0.17 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 3gvg n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gvg n THR 210 N -1.58 0.06 -2.64 -3.53 -2.24 -0.20 -4.76 114.28 99.40 3gvg n THR 210 Ca 0.04 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3gvg n THR 210 Cb 0.21 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 3gvg n THR 210 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gvg s VAL 211 N -3.30 4.66 -0.10 2.28 1.01 -1.00 -5.00 120.40 118.95 3gvg s VAL 211 Ca -0.01 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 3gvg s VAL 211 Cb 0.14 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3gvg s VAL 211 CO 0.87 0.13 1.00 -0.13 0.00 0.00 0.00 175.10 176.96 3gvg s ARG 212 N 1.18 4.43 -0.26 2.72 0.52 -1.26 -4.98 118.95 121.30 3gvg s ARG 212 Ca 0.53 1.37 -0.01 0.00 -0.52 0.00 0.00 55.73 57.10 3gvg s ARG 212 Cb -0.23 -3.54 0.03 0.00 0.52 0.00 0.00 34.95 31.74 3gvg s ARG 212 CO 0.27 -0.30 -0.05 0.08 0.02 0.00 0.00 175.30 175.32 3gvg s VAL 213 N 1.94 2.86 0.09 3.52 1.01 -1.26 -1.49 120.40 127.09 3gvg s VAL 213 Ca 0.48 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3gvg s VAL 213 Cb -0.18 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3gvg s VAL 213 CO 0.18 0.11 0.20 -0.76 0.00 0.00 0.00 175.10 174.84 3gvg s LEU 214 N 1.30 4.21 -0.05 3.92 1.43 0.12 -0.06 118.68 129.54 3gvg s LEU 214 Ca -0.02 0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 3gvg s LEU 214 Cb -0.18 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 3gvg s LEU 214 CO -0.04 0.13 0.74 -0.47 0.23 0.00 0.00 176.35 176.95 3gvg s TYR 215 N -1.57 3.59 -0.16 0.29 5.04 -0.19 -0.94 117.35 123.42 3gvg s TYR 215 Ca 0.34 1.32 0.17 0.00 -2.44 0.00 0.00 57.07 56.46 3gvg s TYR 215 Cb -0.12 -2.85 0.37 0.00 0.35 0.00 0.00 41.96 39.71 3gvg s TYR 215 CO 0.27 0.08 1.24 0.41 -1.34 0.00 0.00 175.55 176.21 3gvg n GLY 216 N 3.05 4.72 0.00 8.97 0.00 0.11 -1.00 105.19 121.04 3gvg n GLY 216 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3gvg n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvg n GLY 217 N -1.17 0.61 3.65 -0.02 0.00 -1.25 -4.62 105.19 102.38 3gvg n GLY 217 Ca 0.18 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 3gvg n GLY 217 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvg s SER 218 N -1.00 6.78 -0.09 1.61 0.15 -1.26 -4.68 113.70 115.21 3gvg s SER 218 Ca 0.00 1.80 0.04 0.00 0.70 0.00 0.00 55.95 58.49 3gvg s SER 218 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3gvg s SER 218 CO 0.00 -0.89 -0.23 -0.69 1.20 0.00 0.00 173.24 172.62 3gvg s VAL 219 N 3.92 2.13 0.34 4.45 1.01 -1.26 -4.99 120.40 125.99 3gvg s VAL 219 Ca 0.62 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 3gvg s VAL 219 Cb -0.25 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3gvg s VAL 219 CO 0.21 0.56 0.42 0.54 0.00 0.00 0.00 175.10 176.83 3gvg s ASN 220 N 0.20 1.06 0.52 3.32 2.20 -1.26 -4.67 114.94 116.31 3gvg s ASN 220 Ca -0.14 -1.54 0.25 0.00 -0.94 0.00 0.00 52.86 50.49 3gvg s ASN 220 Cb -0.17 0.63 1.42 0.00 -2.00 0.00 0.00 41.25 41.13 3gvg s ASN 220 CO 0.07 -1.23 2.09 0.00 -2.94 0.00 0.00 177.10 175.09 3gvg h ALA 221 N 2.13 1.42 0.00 3.54 0.00 -1.97 -0.93 119.26 123.45 3gvg h ALA 221 Ca -0.28 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3gvg h ALA 221 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gvg h ALA 221 CO 0.39 0.14 -0.76 0.87 0.00 0.00 0.00 179.25 179.88 3gvg h LYS 222 N 0.00 0.00 0.00 0.00 1.57 -2.02 -3.38 116.57 112.73 3gvg h LYS 222 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gvg h LYS 222 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3gvg h LYS 222 CO 0.01 0.14 -1.17 0.27 -0.57 0.00 0.00 179.45 178.13 3gvg n ASN 223 N -2.91 1.34 -0.11 0.86 0.23 -1.06 -4.75 115.26 108.86 3gvg n ASN 223 Ca -0.01 -0.36 -0.01 0.00 -0.53 0.00 0.00 54.58 53.67 3gvg n ASN 223 Cb 0.63 1.34 0.25 0.00 -2.08 0.00 0.00 39.78 39.92 3gvg n ASN 223 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3gvg h VAL 224 N 0.00 1.20 -0.30 3.53 3.04 -1.36 -2.52 116.25 119.84 3gvg h VAL 224 Ca 0.00 -0.66 -0.08 0.00 -1.01 0.00 0.00 66.70 64.96 3gvg h VAL 224 Cb 0.48 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 3gvg h VAL 224 CO 0.00 0.25 -0.11 1.23 -1.01 0.00 0.00 177.57 177.93 3gvg h GLY 225 N 0.91 0.66 1.07 3.17 0.00 -1.85 -0.00 103.07 107.04 3gvg h GLY 225 Ca 0.18 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3gvg h GLY 225 CO -0.01 0.53 0.47 -0.55 0.00 0.00 0.00 176.54 176.97 3gvg h ASP 226 N 0.37 1.09 -0.03 0.19 3.32 -1.83 -1.30 116.42 118.22 3gvg h ASP 226 Ca 0.07 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 3gvg h ASP 226 Cb 0.62 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gvg h ASP 226 CO 0.04 0.88 -0.06 0.40 -1.72 0.00 0.00 179.24 178.78 3gvg h ILE 227 N 1.21 1.42 0.00 0.35 2.04 -1.12 -3.19 117.51 118.22 3gvg h ILE 227 Ca 0.30 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3gvg h ILE 227 Cb 0.04 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3gvg h ILE 227 CO -0.05 0.36 0.00 -0.37 0.00 0.00 0.00 178.15 178.09 3gvg h VAL 228 N -0.41 0.00 0.00 1.67 -1.51 -0.92 -2.56 116.25 112.52 3gvg h VAL 228 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3gvg h VAL 228 Cb 0.62 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3gvg h VAL 228 CO 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.35 3gvg h ALA 229 N 2.40 1.00 -2.84 5.19 0.00 -1.22 -3.45 119.26 120.34 3gvg h ALA 229 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3gvg h ALA 229 Cb 0.62 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.49 3gvg h ALA 229 CO 0.00 0.00 0.57 -0.65 0.00 0.00 0.00 179.25 179.17 3gvg s GLN 230 N -3.58 3.81 0.33 0.00 -1.52 -0.97 -4.90 119.66 112.84 3gvg s GLN 230 Ca 0.02 2.04 0.04 0.00 -1.95 0.00 0.00 55.36 55.51 3gvg s GLN 230 Cb 0.09 -2.60 0.66 0.00 -0.22 0.00 0.00 33.01 30.95 3gvg s GLN 230 CO 0.52 -0.58 1.90 -0.44 -0.25 0.00 0.00 175.29 176.44 3gvg h ASP 231 N 2.36 0.78 -0.37 5.90 3.32 -1.90 -2.68 116.42 123.84 3gvg h ASP 231 Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3gvg h ASP 231 Cb 1.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3gvg h ASP 231 CO 0.61 0.47 0.00 0.47 -1.72 0.00 0.00 179.24 179.07 3gvg n ASP 232 N -4.52 3.01 -4.60 6.45 8.00 -1.26 -4.92 116.55 118.71 3gvg n ASP 232 Ca 0.15 -1.92 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 3gvg n ASP 232 Cb 0.30 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 3gvg n ASP 232 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvg s VAL 233 N -1.04 4.72 -0.35 2.53 1.01 -1.01 -4.64 120.40 121.62 3gvg s VAL 233 Ca 0.28 -0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.30 3gvg s VAL 233 Cb 0.15 -3.15 0.25 0.00 0.00 0.00 0.00 36.38 33.64 3gvg s VAL 233 CO 0.20 0.43 1.19 0.47 0.00 0.00 0.00 175.10 177.39 3gvg n ASP 234 N 3.87 2.72 0.00 3.32 8.00 0.91 -4.65 116.55 130.73 3gvg n ASP 234 Ca -0.16 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 52.94 3gvg n ASP 234 Cb 0.52 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3gvg n ASP 234 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvg n GLY 235 N -0.36 0.63 3.04 0.44 0.00 -1.26 -1.03 105.19 106.66 3gvg n GLY 235 Ca 0.11 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3gvg n GLY 235 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvg s GLY 236 N 0.00 -0.07 -0.51 -0.02 0.00 -0.55 -1.02 107.32 105.15 3gvg s GLY 236 Ca 0.00 0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.86 3gvg s GLY 236 CO 0.00 0.22 0.44 -2.27 0.00 0.00 0.00 173.10 171.49 3gvg s LEU 237 N -0.24 5.93 -0.04 0.66 2.96 -0.17 -1.19 118.68 126.59 3gvg s LEU 237 Ca -0.03 -1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 52.08 3gvg s LEU 237 Cb -0.03 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 3gvg s LEU 237 CO 0.00 -0.77 0.38 -0.69 -1.32 0.00 0.00 176.35 173.96 3gvg s VAL 238 N 1.58 5.11 0.00 1.68 1.01 0.30 -4.40 120.40 125.68 3gvg s VAL 238 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3gvg s VAL 238 Cb -0.28 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3gvg s VAL 238 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3gvg n GLY 239 N 2.11 0.77 0.37 4.51 0.00 -1.26 -0.27 105.19 111.41 3gvg n GLY 239 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.98 3gvg n GLY 239 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvg h GLY 240 N 0.00 1.26 2.00 -0.02 0.00 -1.92 0.65 103.07 105.04 3gvg h GLY 240 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3gvg h GLY 240 CO 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 176.54 176.67 3gvg h ALA 241 N 1.58 1.08 0.00 3.60 0.00 -1.90 -2.08 119.26 121.55 3gvg h ALA 241 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gvg h ALA 241 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3gvg h ALA 241 CO -0.20 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.72 3gvg h SER 242 N 0.00 0.00 0.49 0.00 4.64 -1.12 -2.74 113.55 114.83 3gvg h SER 242 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gvg h SER 242 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gvg h SER 242 CO 0.00 0.00 -0.12 0.18 -0.87 0.00 0.00 176.83 176.02 3gvg n LEU 243 N -2.83 0.35 -4.21 5.97 4.77 -0.78 -4.61 117.00 115.67 3gvg n LEU 243 Ca 0.00 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 3gvg n LEU 243 Cb 0.22 -0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 3gvg n LEU 243 CO 0.23 0.07 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.46 3gvg s ASP 244 N -2.62 5.14 0.19 -1.43 -1.08 -1.03 -5.02 116.67 110.82 3gvg s ASP 244 Ca 0.25 -1.35 -0.12 0.00 -0.52 0.00 0.00 52.55 50.81 3gvg s ASP 244 Cb 0.20 -1.80 0.18 0.00 -1.46 0.00 0.00 42.92 40.04 3gvg s ASP 244 CO 0.51 -0.34 1.78 1.23 0.52 0.00 0.00 175.17 178.87 3gvg h GLY 245 N 8.11 0.78 0.98 2.66 0.00 -1.84 0.56 103.07 114.32 3gvg h GLY 245 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3gvg h GLY 245 CO 0.59 0.09 0.09 1.05 0.00 0.00 0.00 176.54 178.36 3gvg h GLU 246 N 0.51 0.20 -0.33 4.80 9.09 -1.94 -1.02 114.58 125.88 3gvg h GLU 246 Ca 0.25 -0.02 0.02 0.00 0.05 0.00 0.00 59.36 59.67 3gvg h GLU 246 Cb 0.19 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.23 3gvg h GLU 246 CO -0.19 0.16 0.18 0.45 0.05 0.00 0.00 179.01 179.65 3gvg h HIS 247 N 0.18 0.33 -0.41 2.06 3.86 -1.74 -1.44 115.15 117.98 3gvg h HIS 247 Ca 0.05 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3gvg h HIS 247 Cb 0.01 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3gvg h HIS 247 CO -0.06 0.18 0.13 0.35 0.86 0.00 0.00 177.93 179.40 3gvg h PHE 248 N 0.36 0.66 -0.90 2.45 3.57 -0.82 -1.43 116.94 120.83 3gvg h PHE 248 Ca 0.13 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.68 3gvg h PHE 248 Cb 0.03 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 3gvg h PHE 248 CO -0.09 0.60 0.53 0.00 -2.23 0.00 0.00 178.31 177.12 3gvg h ALA 249 N 0.98 1.32 -0.64 2.41 0.00 -1.07 -1.92 119.26 120.35 3gvg h ALA 249 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gvg h ALA 249 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gvg h ALA 249 CO -0.01 0.12 0.29 1.15 0.00 0.00 0.00 179.25 180.80 3gvg h THR 250 N 0.84 1.23 -0.30 0.00 2.02 -0.66 -0.30 112.91 115.74 3gvg h THR 250 Ca 0.45 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 67.00 3gvg h THR 250 Cb 0.46 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3gvg h THR 250 CO -0.27 0.27 0.06 -0.07 0.37 0.00 0.00 175.52 175.88 3gvg h LEU 251 N 0.89 0.01 -0.52 2.58 3.38 -0.77 -0.45 115.31 120.43 3gvg h LEU 251 Ca 0.22 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.27 3gvg h LEU 251 Cb 0.15 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3gvg h LEU 251 CO -0.02 0.04 0.28 0.00 0.09 0.00 0.00 178.44 178.83 3gvg h ALA 252 N 1.22 0.67 -0.83 1.53 0.00 -0.99 -1.49 119.26 119.37 3gvg h ALA 252 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gvg h ALA 252 Cb 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3gvg h ALA 252 CO -0.18 -0.05 0.50 0.00 0.00 0.00 0.00 179.25 179.52 3gvg h ALA 253 N 1.26 1.06 -0.27 0.00 0.00 -0.45 -1.36 119.26 119.50 3gvg h ALA 253 Ca 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gvg h ALA 253 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gvg h ALA 253 CO -0.14 0.53 0.06 0.82 0.00 0.00 0.00 179.25 180.52 3gvg h ILE 254 N 1.14 1.22 0.00 0.00 2.04 -0.95 -2.54 117.51 118.43 3gvg h ILE 254 Ca 0.30 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3gvg h ILE 254 Cb -0.04 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3gvg h ILE 254 CO -0.06 0.24 -0.19 0.00 0.00 0.00 0.00 178.15 178.14 3gvg h ALA 255 N 0.89 1.60 0.00 1.87 0.00 -0.97 -1.28 119.26 121.37 3gvg h ALA 255 Ca 0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3gvg h ALA 255 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gvg h ALA 255 CO 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 179.25 179.08 3gvg h ALA 256 N 1.81 1.01 0.00 0.00 0.00 -0.95 -3.46 119.26 117.65 3gvg h ALA 256 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gvg h ALA 256 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gvg h ALA 256 CO 0.03 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.21