#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gfu s LEU 2 N 0.00 3.96 -0.09 -3.43 1.43 -1.26 -0.59 118.68 118.70 3gfu s LEU 2 Ca 0.00 1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 54.80 3gfu s LEU 2 Cb 0.00 -4.44 0.05 0.00 0.03 0.00 0.00 46.19 41.83 3gfu s LEU 2 CO 0.00 -0.59 0.50 0.00 0.23 0.00 0.00 176.35 176.49 3gfu s ALA 3 N -1.92 -1.27 0.45 4.21 0.00 0.54 -4.92 121.76 118.85 3gfu s ALA 3 Ca 0.63 1.06 0.06 0.00 0.00 0.00 0.00 51.96 53.71 3gfu s ALA 3 Cb -0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3gfu s ALA 3 CO 0.21 -0.29 0.17 0.14 0.00 0.00 0.00 175.76 175.99 3gfu s VAL 4 N -0.68 1.96 0.13 0.00 -7.23 -1.26 -0.73 120.40 112.59 3gfu s VAL 4 Ca -0.08 -1.74 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3gfu s VAL 4 Cb -0.03 -2.70 -0.19 0.00 0.56 0.00 0.00 36.38 34.02 3gfu s VAL 4 CO 0.05 0.00 1.30 0.44 -0.31 0.00 0.00 175.10 176.57 3gfu h ASP 5 N 1.32 0.38 -2.05 4.85 3.32 -2.00 -3.47 116.42 118.78 3gfu h ASP 5 Ca -0.42 -0.33 -0.60 0.00 0.02 0.00 0.00 57.03 55.70 3gfu h ASP 5 Cb 1.27 -0.12 -0.13 0.00 0.22 0.00 0.00 39.33 40.58 3gfu h ASP 5 CO 0.69 1.16 -0.69 -1.10 -1.72 0.00 0.00 179.24 177.59 3gfu s GLN 6 N -3.09 1.89 0.00 3.56 -1.52 -1.26 -5.02 119.66 114.22 3gfu s GLN 6 Ca -0.04 -1.78 0.21 0.00 -1.95 0.00 0.00 55.36 51.80 3gfu s GLN 6 Cb 0.09 -1.83 0.59 0.00 -0.22 0.00 0.00 33.01 31.64 3gfu s GLN 6 CO 0.85 0.22 1.47 0.25 -0.25 0.00 0.00 175.29 177.84 3gfu n THR 7 N -0.79 0.35 -3.45 -0.19 -2.24 -1.26 -4.88 114.28 101.82 3gfu n THR 7 Ca -0.05 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 3gfu n THR 7 Cb 0.62 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 3gfu n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gfu s ARG 8 N -1.65 1.11 0.06 -0.78 1.70 -1.26 -4.01 118.95 114.12 3gfu s ARG 8 Ca 0.34 -0.40 0.05 0.00 -0.47 0.00 0.00 55.73 55.25 3gfu s ARG 8 Cb 0.19 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 35.06 3gfu s ARG 8 CO 0.28 -0.48 -0.13 0.71 -1.08 0.00 0.00 175.30 174.59 3gfu s TYR 9 N -3.50 1.16 -0.26 5.89 2.02 -0.68 -4.97 117.35 117.01 3gfu s TYR 9 Ca 0.02 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3gfu s TYR 9 Cb -0.01 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 3gfu s TYR 9 CO -0.11 0.04 0.00 0.42 -1.57 0.00 0.00 175.55 174.33 3gfu s ILE 10 N -1.17 3.50 -0.33 2.71 1.09 -1.26 -0.68 121.20 125.07 3gfu s ILE 10 Ca -0.02 -0.71 -0.24 0.00 -1.10 0.00 0.00 60.65 58.59 3gfu s ILE 10 Cb -0.09 -2.73 0.00 0.00 -1.06 0.00 0.00 42.46 38.58 3gfu s ILE 10 CO 0.02 0.22 0.80 0.12 -0.10 0.00 0.00 174.94 176.00 3gfu s PHE 11 N 1.45 3.17 0.02 3.97 5.36 0.15 -4.96 117.98 127.13 3gfu s PHE 11 Ca 0.03 0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 56.45 3gfu s PHE 11 Cb -0.16 -3.31 -0.04 0.00 -0.34 0.00 0.00 43.02 39.17 3gfu s PHE 11 CO -0.01 -0.64 0.96 1.03 -1.46 0.00 0.00 175.22 175.10 3gfu s ARG 12 N 3.05 4.58 0.49 10.12 0.52 -1.26 -1.71 118.95 134.73 3gfu s ARG 12 Ca 0.33 1.39 0.33 0.00 -0.52 0.00 0.00 55.73 57.26 3gfu s ARG 12 Cb -0.14 -3.44 1.71 0.00 0.52 0.00 0.00 34.95 33.60 3gfu s ARG 12 CO 0.14 0.01 2.01 0.78 0.02 0.00 0.00 175.30 178.26 3gfu h GLY 13 N 6.56 0.00 -2.00 -3.53 0.00 -1.12 -1.67 103.07 101.31 3gfu h GLY 13 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gfu h GLY 13 CO 0.74 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.37 3gfu n ASP 14 N -2.71 3.02 -4.62 0.19 5.75 -1.26 -4.52 116.55 112.40 3gfu n ASP 14 Ca -0.01 -1.95 -0.25 0.00 -0.01 0.00 0.00 54.79 52.57 3gfu n ASP 14 Cb 0.11 -0.30 -0.09 0.00 -1.03 0.00 0.00 41.12 39.81 3gfu n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gfu s LYS 15 N -1.40 2.03 0.00 0.11 -0.14 -0.63 -5.04 119.74 114.67 3gfu s LYS 15 Ca 0.38 -1.82 0.24 0.00 -1.36 0.00 0.00 55.97 53.41 3gfu s LYS 15 Cb 0.21 -1.87 0.28 0.00 -1.68 0.00 0.00 37.83 34.77 3gfu s LYS 15 CO 0.28 0.10 1.28 -0.40 -0.76 0.00 0.00 175.35 175.85 3gfu n ASP 16 N -0.95 1.97 -3.66 2.83 5.68 -1.26 -4.89 116.55 116.27 3gfu n ASP 16 Ca -0.04 -1.48 -0.04 0.00 -0.50 0.00 0.00 54.79 52.73 3gfu n ASP 16 Cb 0.63 0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.87 3gfu n ASP 16 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gfu s ALA 17 N -2.35 -1.82 -0.06 2.12 0.00 -1.26 -4.62 121.76 113.76 3gfu s ALA 17 Ca 0.23 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3gfu s ALA 17 Cb 0.19 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.82 3gfu s ALA 17 CO 0.49 -0.93 -0.10 -1.17 0.00 0.00 0.00 175.76 174.05 3gfu s LEU 18 N -2.79 1.52 -0.18 0.00 2.96 -0.48 -4.80 118.68 114.91 3gfu s LEU 18 Ca 0.11 -0.25 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3gfu s LEU 18 Cb -0.00 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3gfu s LEU 18 CO -0.02 -0.00 0.02 -0.89 -1.32 0.00 0.00 176.35 174.14 3gfu s THR 19 N 0.82 4.39 -0.03 3.68 2.01 -1.26 -0.84 115.64 124.41 3gfu s THR 19 Ca -0.12 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.74 3gfu s THR 19 Cb -0.15 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.39 3gfu s THR 19 CO 0.02 0.47 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 3gfu s ILE 20 N 0.44 1.09 -0.23 1.82 1.01 -0.19 -4.98 121.20 120.16 3gfu s ILE 20 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.99 3gfu s ILE 20 Cb -0.13 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 3gfu s ILE 20 CO 0.01 0.32 0.23 -0.89 0.00 0.00 0.00 174.94 174.62 3gfu s THR 21 N 0.06 5.31 -0.15 2.92 2.01 -1.26 -0.15 115.64 124.38 3gfu s THR 21 Ca -0.02 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 3gfu s THR 21 Cb -0.09 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3gfu s THR 21 CO 0.01 0.31 0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 3gfu s VAL 22 N 1.15 5.16 0.20 3.82 1.01 0.37 -4.37 120.40 127.74 3gfu s VAL 22 Ca 0.11 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.28 3gfu s VAL 22 Cb -0.14 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3gfu s VAL 22 CO 0.06 0.54 -0.14 0.42 0.00 0.00 0.00 175.10 175.97 3gfu s THR 23 N -0.38 2.88 -0.35 3.92 -4.23 0.09 -0.13 115.64 117.44 3gfu s THR 23 Ca 0.10 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.64 3gfu s THR 23 Cb -0.12 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.30 3gfu s THR 23 CO 0.01 -0.15 0.20 0.21 -0.54 0.00 0.00 174.62 174.35 3gfu s ASN 24 N -2.89 5.78 0.00 3.99 2.47 -1.02 -0.34 114.94 122.92 3gfu s ASN 24 Ca 0.24 -0.68 0.19 0.00 0.42 0.00 0.00 52.86 53.04 3gfu s ASN 24 Cb -0.08 -2.06 0.52 0.00 -1.45 0.00 0.00 41.25 38.19 3gfu s ASN 24 CO 0.14 -0.29 1.44 -0.46 -3.72 0.00 0.00 177.10 174.21 3gfu n ASN 25 N 5.03 2.90 -4.75 -4.21 0.23 0.24 -1.65 115.26 113.05 3gfu n ASN 25 Ca -0.13 -1.95 -0.40 0.00 -0.53 0.00 0.00 54.58 51.57 3gfu n ASN 25 Cb 0.48 -0.30 -0.05 0.00 -2.08 0.00 0.00 39.78 37.84 3gfu n ASN 25 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gfu s ASP 26 N -1.22 7.35 0.33 0.53 -1.08 -1.26 -4.66 116.67 116.65 3gfu s ASP 26 Ca 0.37 2.13 0.19 0.00 -0.52 0.00 0.00 52.55 54.73 3gfu s ASP 26 Cb 0.20 -2.61 0.16 0.00 -1.46 0.00 0.00 42.92 39.21 3gfu s ASP 26 CO 0.27 -0.11 1.44 0.07 0.52 0.00 0.00 175.17 177.37 3gfu h LYS 27 N 4.36 0.00 0.00 4.34 5.09 -1.95 -2.85 116.57 125.57 3gfu h LYS 27 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 3gfu h LYS 27 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3gfu h LYS 27 CO 0.69 0.24 -0.85 0.39 -2.09 0.00 0.00 179.45 177.82 3gfu n GLU 28 N -3.11 1.77 -4.03 0.07 -0.58 -1.26 -4.78 120.64 108.72 3gfu n GLU 28 Ca 0.02 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.44 3gfu n GLU 28 Cb 0.64 -0.93 -0.06 0.00 -0.57 0.00 0.00 31.44 30.52 3gfu n GLU 28 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3gfu s ARG 29 N -1.85 3.14 0.01 3.49 1.81 -1.26 -4.74 118.95 119.54 3gfu s ARG 29 Ca 0.00 -0.49 -0.17 0.00 -1.72 0.00 0.00 55.73 53.35 3gfu s ARG 29 Cb 0.00 -2.90 -0.06 0.00 -0.45 0.00 0.00 34.95 31.54 3gfu s ARG 29 CO 0.00 0.63 0.49 0.99 -0.68 0.00 0.00 175.30 176.74 3gfu s THR 30 N -1.29 4.93 -0.08 0.02 2.01 -1.26 -3.73 115.64 116.24 3gfu s THR 30 Ca 0.26 1.03 0.03 0.00 0.31 0.00 0.00 61.69 63.33 3gfu s THR 30 Cb -0.12 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3gfu s THR 30 CO 0.18 0.52 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.10 3gfu s PHE 31 N -0.80 2.65 0.94 4.92 0.40 -0.65 -3.90 117.98 121.54 3gfu s PHE 31 Ca 0.27 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 3gfu s PHE 31 Cb -0.18 -1.68 0.16 0.00 0.51 0.00 0.00 43.02 41.83 3gfu s PHE 31 CO 0.15 -0.05 1.09 0.20 0.70 0.00 0.00 175.22 177.31 3gfu s GLY 32 N -0.24 1.61 -0.06 4.36 0.00 0.75 -1.22 107.32 112.52 3gfu s GLY 32 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.48 3gfu s GLY 32 CO 0.03 0.50 0.52 -0.32 0.00 0.00 0.00 173.10 173.84 3gfu s GLY 33 N -3.21 -0.39 0.01 0.20 0.00 0.28 -0.97 107.32 103.24 3gfu s GLY 33 Ca 0.65 0.97 0.02 0.00 0.00 0.00 0.00 44.72 46.35 3gfu s GLY 33 CO 0.58 0.69 -0.05 1.62 0.00 0.00 0.00 173.10 175.94 3gfu s GLN 34 N -1.04 0.40 0.02 2.90 0.74 -0.56 -0.85 119.66 121.27 3gfu s GLN 34 Ca -0.10 -0.32 0.02 0.00 0.05 0.00 0.00 55.36 55.00 3gfu s GLN 34 Cb -0.03 -0.32 -0.01 0.00 1.10 0.00 0.00 33.01 33.75 3gfu s GLN 34 CO 0.07 0.08 -0.07 0.00 -0.55 0.00 0.00 175.29 174.81 3gfu s ALA 35 N -0.46 0.57 0.20 1.58 0.00 0.17 -0.07 121.76 123.73 3gfu s ALA 35 Ca -0.02 -0.48 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 3gfu s ALA 35 Cb -0.04 -0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.06 3gfu s ALA 35 CO -0.00 0.08 0.80 1.67 0.00 0.00 0.00 175.76 178.30 3gfu s TRP 36 N -0.63 -0.23 -0.12 0.00 -2.14 -0.83 -4.69 118.94 110.30 3gfu s TRP 36 Ca -0.02 -0.11 0.02 0.00 2.66 0.00 0.00 56.10 58.64 3gfu s TRP 36 Cb -0.05 0.65 0.01 0.00 -3.10 0.00 0.00 33.47 30.98 3gfu s TRP 36 CO 0.00 -0.99 -0.17 0.08 -2.66 0.00 0.00 176.95 173.21 3gfu s VAL 37 N -3.62 1.69 -0.09 -0.66 1.01 -1.26 0.02 120.40 117.50 3gfu s VAL 37 Ca 0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3gfu s VAL 37 Cb -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3gfu s VAL 37 CO 0.01 0.48 0.18 -1.81 0.00 0.00 0.00 175.10 173.96 3gfu s ASP 38 N 0.95 6.43 0.62 3.32 1.01 0.60 -4.67 116.67 124.92 3gfu s ASP 38 Ca -0.06 0.50 -0.17 0.00 0.71 0.00 0.00 52.55 53.53 3gfu s ASP 38 Cb -0.15 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 3gfu s ASP 38 CO -0.02 0.37 1.14 0.20 0.21 0.00 0.00 175.17 177.07 3gfu s ASN 39 N -1.21 5.24 -0.01 0.27 0.01 -1.26 -1.34 114.94 116.64 3gfu s ASN 39 Ca 0.18 2.14 -0.04 0.00 -0.71 0.00 0.00 52.86 54.43 3gfu s ASN 39 Cb -0.13 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3gfu s ASN 39 CO 0.08 -1.55 -0.09 -0.38 -1.51 0.00 0.00 177.10 173.65 3gfu n ILE 40 N -1.96 0.95 0.04 0.60 5.41 -1.26 -4.82 119.36 118.32 3gfu n ILE 40 Ca 0.11 0.17 -0.21 0.00 1.00 0.00 0.00 62.75 63.82 3gfu n ILE 40 Cb 0.51 -1.72 -0.14 0.00 -0.71 0.00 0.00 39.64 37.58 3gfu n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3gfu h VAL 41 N -0.26 1.35 -2.60 1.39 2.07 -1.95 -3.44 116.25 112.80 3gfu h VAL 41 Ca -0.07 -2.49 -0.53 0.00 0.82 0.00 0.00 66.70 64.42 3gfu h VAL 41 Cb 0.62 3.03 0.03 0.00 -1.52 0.00 0.00 31.29 33.45 3gfu h VAL 41 CO -0.04 0.71 1.07 -1.61 0.02 0.00 0.00 177.57 177.71 3gfu s GLU 42 N -2.45 4.17 0.36 1.57 8.01 -1.26 -4.90 118.70 124.20 3gfu s GLU 42 Ca -0.16 2.46 0.19 0.00 0.01 0.00 0.00 54.97 57.48 3gfu s GLU 42 Cb 0.02 -3.64 0.47 0.00 -4.31 0.00 0.00 34.13 26.67 3gfu s GLU 42 CO 0.81 -0.80 1.63 1.57 0.01 0.00 0.00 175.26 178.48 3gfu h LYS 43 N 8.62 0.00 -6.65 1.61 -0.00 -1.96 -3.46 116.57 114.73 3gfu h LYS 43 Ca -0.44 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.62 3gfu h LYS 43 Cb 1.21 0.00 0.14 0.00 -0.00 0.00 0.00 32.23 33.58 3gfu h LYS 43 CO 0.94 0.34 0.10 -3.47 -0.00 0.00 0.00 179.45 177.36 3gfu n ASP 44 N -3.30 0.97 -0.01 7.07 -0.08 -1.26 -4.92 116.55 115.02 3gfu n ASP 44 Ca 0.01 0.98 0.13 0.00 -1.51 0.00 0.00 54.79 54.41 3gfu n ASP 44 Cb 0.58 -1.34 0.49 0.00 2.34 0.00 0.00 41.12 43.20 3gfu n ASP 44 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3gfu n THR 45 N -0.75 0.00 -1.58 5.18 -2.24 -1.26 -4.87 114.28 108.76 3gfu n THR 45 Ca 0.10 -0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.41 3gfu n THR 45 Cb 0.41 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 3gfu n THR 45 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3gfu n ARG 46 N -1.46 1.84 -1.65 -0.78 0.63 -1.26 -4.89 116.66 109.09 3gfu n ARG 46 Ca 0.07 0.57 -0.46 0.00 -0.92 0.00 0.00 57.85 57.11 3gfu n ARG 46 Cb 0.33 -2.85 -0.03 0.00 0.45 0.00 0.00 32.46 30.36 3gfu n ARG 46 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3gfu n PRO 47 N 7.98 1.83 0.02 -0.14 -0.02 -1.26 -4.86 135.00 138.55 3gfu n PRO 47 Ca 0.31 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 62.25 3gfu n PRO 47 Cb 0.34 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 3gfu n PRO 47 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3gfu h THR 48 N 3.05 0.82 -4.12 3.45 2.02 -1.90 -3.39 112.91 112.83 3gfu h THR 48 Ca -0.45 -2.52 -0.62 0.00 0.77 0.00 0.00 66.41 63.59 3gfu h THR 48 Cb 1.29 2.59 -0.25 0.00 -1.74 0.00 0.00 68.15 70.04 3gfu h THR 48 CO 0.76 0.81 -0.85 -0.36 0.37 0.00 0.00 175.52 176.25 3gfu s PHE 49 N -2.58 2.01 0.11 3.16 0.40 -1.26 -1.10 117.98 118.71 3gfu s PHE 49 Ca -0.16 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 55.89 3gfu s PHE 49 Cb 0.07 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.40 3gfu s PHE 49 CO 0.81 0.16 -0.26 0.14 0.70 0.00 0.00 175.22 176.76 3gfu s VAL 50 N -0.90 2.19 -0.13 -0.44 -7.23 -0.16 -4.45 120.40 109.28 3gfu s VAL 50 Ca 0.09 -1.65 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3gfu s VAL 50 Cb -0.09 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 3gfu s VAL 50 CO 0.03 0.15 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.16 3gfu s VAL 51 N -1.00 3.25 -0.08 1.32 1.01 -1.26 -1.31 120.40 122.32 3gfu s VAL 51 Ca 0.13 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3gfu s VAL 51 Cb -0.10 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3gfu s VAL 51 CO 0.05 0.53 -0.10 -0.89 0.00 0.00 0.00 175.10 174.68 3gfu s THR 52 N 0.22 1.06 0.52 3.92 2.01 0.87 -2.93 115.64 121.31 3gfu s THR 52 Ca -0.07 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.33 3gfu s THR 52 Cb -0.15 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 3gfu s THR 52 CO 0.05 0.35 1.10 -2.16 -0.69 0.00 0.00 174.62 173.27 3gfu s PRO 53 N 0.94 3.52 0.00 4.92 0.04 -1.26 -0.53 135.00 142.62 3gfu s PRO 53 Ca -0.10 1.54 0.24 0.00 0.04 0.00 0.00 61.00 62.73 3gfu s PRO 53 Cb -0.15 -2.05 0.37 0.00 0.04 0.00 0.00 34.50 32.71 3gfu s PRO 53 CO 0.00 -0.70 1.32 -1.13 0.04 0.00 0.00 177.00 176.53 3gfu n SER 54 N -1.15 0.79 -3.71 6.66 3.41 -1.15 -4.73 113.62 113.74 3gfu n SER 54 Ca 0.11 -0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 58.00 3gfu n SER 54 Cb 0.51 0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 64.73 3gfu n SER 54 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gfu s PHE 55 N -2.88 -0.39 0.32 7.33 5.36 -1.26 -0.66 117.98 125.80 3gfu s PHE 55 Ca 0.13 0.90 -0.19 0.00 -0.96 0.00 0.00 56.93 56.81 3gfu s PHE 55 Cb 0.18 0.06 0.05 0.00 -0.34 0.00 0.00 43.02 42.97 3gfu s PHE 55 CO 0.70 -0.28 0.81 -0.59 -1.46 0.00 0.00 175.22 174.40 3gfu s PHE 56 N 1.53 0.01 0.02 10.12 -0.12 -0.03 -5.00 117.98 124.51 3gfu s PHE 56 Ca -0.07 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 3gfu s PHE 56 Cb -0.10 0.78 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 3gfu s PHE 56 CO -0.09 -1.35 -0.06 0.15 -0.05 0.00 0.00 175.22 173.82 3gfu s LYS 57 N -2.79 0.42 -0.07 1.99 -0.14 -1.26 -0.55 119.74 117.33 3gfu s LYS 57 Ca 0.15 -0.42 -0.02 0.00 -1.36 0.00 0.00 55.97 54.32 3gfu s LYS 57 Cb -0.05 -0.29 0.03 0.00 -1.68 0.00 0.00 37.83 35.84 3gfu s LYS 57 CO 0.09 0.07 0.03 0.08 -0.76 0.00 0.00 175.35 174.86 3gfu s VAL 58 N -0.69 0.18 0.83 3.17 1.01 -0.36 -4.98 120.40 119.55 3gfu s VAL 58 Ca -0.04 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 3gfu s VAL 58 Cb -0.05 -0.42 0.09 0.00 0.00 0.00 0.00 36.38 36.00 3gfu s VAL 58 CO -0.00 0.17 1.10 -0.54 0.00 0.00 0.00 175.10 175.84 3gfu s LYS 59 N 2.05 1.79 0.34 2.72 3.01 -1.26 -1.64 119.74 126.74 3gfu s LYS 59 Ca 0.05 1.20 -0.28 0.00 -1.01 0.00 0.00 55.97 55.93 3gfu s LYS 59 Cb -0.13 -1.84 -0.12 0.00 -1.01 0.00 0.00 37.83 34.73 3gfu s LYS 59 CO -0.05 -1.98 1.20 -2.30 0.51 0.00 0.00 175.35 172.73 3gfu n PRO 60 N -3.76 1.87 -0.60 -1.68 -0.02 -1.24 0.30 135.00 129.87 3gfu n PRO 60 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3gfu n PRO 60 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3gfu n PRO 60 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3gfu n ASN 61 N 0.84 -0.25 -4.06 2.55 6.94 -0.66 -4.95 115.26 115.67 3gfu n ASN 61 Ca 0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.32 3gfu n ASN 61 Cb 0.35 -2.13 0.20 0.00 -2.36 0.00 0.00 39.78 35.84 3gfu n ASN 61 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3gfu s GLY 62 N -2.00 1.70 0.03 4.83 0.00 0.15 -4.82 107.32 107.20 3gfu s GLY 62 Ca 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 3gfu s GLY 62 CO 0.00 -0.27 -0.00 1.20 0.00 0.00 0.00 173.10 174.02 3gfu s GLN 63 N -5.68 0.42 -0.04 2.90 -0.21 -1.26 -2.44 119.66 113.34 3gfu s GLN 63 Ca 0.72 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 55.35 3gfu s GLN 63 Cb -0.07 0.15 0.03 0.00 1.00 0.00 0.00 33.01 34.13 3gfu s GLN 63 CO 0.54 -0.08 0.05 -1.14 -2.12 0.00 0.00 175.29 172.54 3gfu s GLN 64 N -2.10 -0.06 0.03 2.91 2.00 0.82 -4.96 119.66 118.30 3gfu s GLN 64 Ca -0.10 0.34 -0.30 0.00 -2.00 0.00 0.00 55.36 53.29 3gfu s GLN 64 Cb -0.05 -0.46 -0.05 0.00 0.80 0.00 0.00 33.01 33.24 3gfu s GLN 64 CO -0.03 -0.30 1.23 0.99 -0.50 0.00 0.00 175.29 176.68 3gfu s THR 65 N 1.94 4.01 -0.06 -0.34 2.01 -1.26 -0.48 115.64 121.46 3gfu s THR 65 Ca 0.02 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.45 3gfu s THR 65 Cb -0.12 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 3gfu s THR 65 CO -0.03 0.08 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.17 3gfu s LEU 66 N 1.43 3.28 -0.15 4.42 1.43 0.79 -4.57 118.68 125.32 3gfu s LEU 66 Ca 0.59 -0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3gfu s LEU 66 Cb -0.29 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3gfu s LEU 66 CO 0.27 0.35 -0.12 -0.60 0.23 0.00 0.00 176.35 176.48 3gfu s ARG 67 N -0.97 3.34 -0.15 1.70 3.52 0.31 -1.02 118.95 125.68 3gfu s ARG 67 Ca 0.14 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 3gfu s ARG 67 Cb -0.11 -2.69 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 3gfu s ARG 67 CO 0.03 0.09 -0.12 0.42 -0.81 0.00 0.00 175.30 174.91 3gfu s ILE 68 N 0.66 3.00 0.17 4.11 1.01 -0.02 -0.09 121.20 130.04 3gfu s ILE 68 Ca -0.06 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3gfu s ILE 68 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3gfu s ILE 68 CO 0.02 0.51 -0.17 0.27 0.00 0.00 0.00 174.94 175.57 3gfu s ILE 69 N 0.61 1.77 -0.37 2.92 -5.25 -0.43 -1.39 121.20 119.06 3gfu s ILE 69 Ca -0.07 -1.98 -0.23 0.00 -0.99 0.00 0.00 60.65 57.39 3gfu s ILE 69 Cb -0.15 -1.87 0.01 0.00 2.95 0.00 0.00 42.46 43.40 3gfu s ILE 69 CO 0.03 -0.39 0.76 -0.32 -1.79 0.00 0.00 174.94 173.23 3gfu s MET 70 N -2.99 3.71 -0.05 0.37 -2.45 -1.26 -0.99 119.30 115.64 3gfu s MET 70 Ca 0.17 0.22 0.14 0.00 -1.25 0.00 0.00 55.69 54.97 3gfu s MET 70 Cb -0.04 -3.82 -0.22 0.00 1.25 0.00 0.00 34.83 31.99 3gfu s MET 70 CO 0.06 -0.85 0.61 0.00 1.05 0.00 0.00 175.02 175.89 3gfu n ALA 71 N 6.38 1.57 -3.90 4.11 0.00 -0.26 -4.70 120.51 123.70 3gfu n ALA 71 Ca 0.02 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.35 3gfu n ALA 71 Cb 0.48 -0.78 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 3gfu n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gfu s SER 72 N -5.95 4.20 0.00 0.00 0.15 -1.07 -5.05 113.70 105.98 3gfu s SER 72 Ca -0.05 -2.84 0.00 0.00 0.70 0.00 0.00 55.95 53.76 3gfu s SER 72 Cb 0.08 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 3gfu s SER 72 CO 0.82 -0.25 0.00 -0.67 1.20 0.00 0.00 173.24 174.34 3gfu n ASP 73 N 3.33 0.00 0.00 5.45 -0.08 -1.26 -4.56 116.55 119.43 3gfu n ASP 73 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 3gfu n ASP 73 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 3gfu n ASP 73 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3gfu n HIS 74 N -0.07 0.00 -2.81 -0.67 -0.00 -1.26 -5.04 115.22 105.37 3gfu n HIS 74 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 3gfu n HIS 74 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 3gfu n HIS 74 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3gfu s LEU 75 N 0.00 4.21 0.34 2.41 1.02 -1.26 -5.00 118.68 120.39 3gfu s LEU 75 Ca 0.00 1.77 -0.27 0.00 0.02 0.00 0.00 54.13 55.65 3gfu s LEU 75 Cb 0.00 -4.17 -0.13 0.00 0.02 0.00 0.00 46.19 41.91 3gfu s LEU 75 CO 0.00 -0.16 1.12 -2.65 0.02 0.00 0.00 176.35 174.68 3gfu n PRO 76 N 0.17 1.66 0.00 1.29 -0.02 -1.26 -4.90 135.00 131.94 3gfu n PRO 76 Ca 0.03 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3gfu n PRO 76 Cb 0.51 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 3gfu n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gfu n LYS 77 N 0.53 0.56 0.00 -0.52 5.02 -1.26 -4.51 118.16 117.99 3gfu n LYS 77 Ca 0.08 -0.24 0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3gfu n LYS 77 Cb 0.35 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 3gfu n LYS 77 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gfu n ASP 78 N -1.12 1.56 -3.95 4.39 5.75 -1.26 -4.55 116.55 117.36 3gfu n ASP 78 Ca 0.05 -1.28 -0.10 0.00 -0.01 0.00 0.00 54.79 53.46 3gfu n ASP 78 Cb 0.35 0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 40.86 3gfu n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3gfu s LYS 79 N -1.88 1.23 0.66 0.11 -2.85 -1.26 -4.79 119.74 110.96 3gfu s LYS 79 Ca 0.13 -1.17 -0.13 0.00 -1.00 0.00 0.00 55.97 53.79 3gfu s LYS 79 Cb 0.13 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.29 3gfu s LYS 79 CO 0.40 -0.47 1.07 -1.21 0.10 0.00 0.00 175.35 175.25 3gfu s GLU 80 N -3.97 2.99 0.17 1.78 2.02 -0.33 -4.58 118.70 116.77 3gfu s GLU 80 Ca 0.18 1.14 0.08 0.00 0.02 0.00 0.00 54.97 56.39 3gfu s GLU 80 Cb 0.02 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 3gfu s GLU 80 CO 0.01 -1.07 -0.17 -1.12 0.02 0.00 0.00 175.26 172.93 3gfu s SER 81 N -3.16 2.61 0.02 -0.19 0.01 -0.61 -4.85 113.70 107.53 3gfu s SER 81 Ca 0.62 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 57.01 3gfu s SER 81 Cb -0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 3gfu s SER 81 CO 0.46 -0.07 -0.05 0.54 0.41 0.00 0.00 173.24 174.53 3gfu s VAL 82 N -2.20 0.34 0.11 3.43 0.11 -1.26 -0.16 120.40 120.77 3gfu s VAL 82 Ca 0.16 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 3gfu s VAL 82 Cb -0.05 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3gfu s VAL 82 CO 0.06 -0.28 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.24 3gfu s TYR 83 N -1.01 0.87 -0.36 1.54 2.02 0.74 -4.22 117.35 116.92 3gfu s TYR 83 Ca -0.08 -1.07 -0.11 0.00 -0.37 0.00 0.00 57.07 55.43 3gfu s TYR 83 Cb -0.07 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.98 3gfu s TYR 83 CO -0.00 -0.33 0.21 -1.58 -1.57 0.00 0.00 175.55 172.28 3gfu s TRP 84 N -3.83 3.22 -0.16 2.71 0.23 -0.45 0.27 118.94 120.94 3gfu s TRP 84 Ca 0.17 -0.70 -0.29 0.00 -2.03 0.00 0.00 56.10 53.25 3gfu s TRP 84 Cb 0.07 -2.45 -0.00 0.00 0.03 0.00 0.00 33.47 31.12 3gfu s TRP 84 CO -0.02 -0.55 1.04 -1.17 0.96 0.00 0.00 176.95 177.21 3gfu s LEU 85 N 1.61 4.19 -0.15 2.99 2.96 0.15 -0.29 118.68 130.14 3gfu s LEU 85 Ca 0.04 1.49 -0.04 0.00 -0.22 0.00 0.00 54.13 55.40 3gfu s LEU 85 Cb -0.18 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3gfu s LEU 85 CO 0.08 -0.56 -0.02 0.20 -1.32 0.00 0.00 176.35 174.73 3gfu s ASN 86 N 1.20 5.00 -0.23 3.68 0.01 0.10 -1.81 114.94 122.90 3gfu s ASN 86 Ca 0.47 -0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.59 3gfu s ASN 86 Cb -0.17 -1.75 0.05 0.00 0.41 0.00 0.00 41.25 39.79 3gfu s ASN 86 CO 0.13 0.21 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.63 3gfu s LEU 87 N 0.13 2.69 -0.24 0.60 2.96 0.03 -1.97 118.68 122.87 3gfu s LEU 87 Ca 0.00 -1.14 -0.04 0.00 -0.22 0.00 0.00 54.13 52.73 3gfu s LEU 87 Cb -0.13 -1.28 0.00 0.00 0.50 0.00 0.00 46.19 45.28 3gfu s LEU 87 CO 0.02 -0.20 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.26 3gfu s GLN 88 N 1.33 3.19 0.40 1.98 2.00 0.90 -0.49 119.66 128.97 3gfu s GLN 88 Ca -0.05 -0.76 -0.27 0.00 -2.00 0.00 0.00 55.36 52.28 3gfu s GLN 88 Cb -0.18 -3.08 -0.10 0.00 0.80 0.00 0.00 33.01 30.44 3gfu s GLN 88 CO -0.07 -0.30 1.42 -0.25 -0.50 0.00 0.00 175.29 175.60 3gfu n ASP 89 N 4.78 3.36 -3.88 6.67 8.00 -0.09 -1.50 116.55 133.89 3gfu n ASP 89 Ca -0.17 1.18 -0.30 0.00 0.71 0.00 0.00 54.79 56.20 3gfu n ASP 89 Cb 0.49 -1.58 -0.15 0.00 -0.02 0.00 0.00 41.12 39.86 3gfu n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gfu s ILE 90 N -1.15 1.75 0.90 0.53 1.01 -0.14 -4.67 121.20 119.43 3gfu s ILE 90 Ca 0.57 -2.19 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 3gfu s ILE 90 Cb -0.48 -2.28 0.14 0.00 0.01 0.00 0.00 42.46 39.84 3gfu s ILE 90 CO 0.61 -0.69 1.10 -2.16 0.00 0.00 0.00 174.94 173.80 3gfu s PRO 91 N 0.91 1.15 0.47 2.79 0.05 -1.26 -0.18 135.00 138.94 3gfu s PRO 91 Ca 0.12 1.18 -0.23 0.00 0.05 0.00 0.00 61.00 62.12 3gfu s PRO 91 Cb -0.20 -1.77 -0.08 0.00 0.05 0.00 0.00 34.50 32.50 3gfu s PRO 91 CO -0.11 -2.42 1.16 -2.30 0.05 0.00 0.00 177.00 173.37 3gfu n PRO 92 N -4.05 1.55 -1.62 0.56 -0.02 -1.25 -4.74 135.00 125.42 3gfu n PRO 92 Ca 0.09 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 3gfu n PRO 92 Cb 0.53 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3gfu n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gfu n ALA 93 N -0.69 0.24 -1.77 3.55 0.00 -1.26 -4.90 120.51 115.67 3gfu n ALA 93 Ca 0.09 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.45 3gfu n ALA 93 Cb 0.42 -2.09 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 3gfu n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gfu s LEU 94 N -0.24 4.21 -0.87 0.00 1.43 -1.26 -4.95 118.68 117.00 3gfu s LEU 94 Ca 0.60 2.67 -0.18 0.00 -1.03 0.00 0.00 54.13 56.19 3gfu s LEU 94 Cb -0.61 -3.90 0.14 0.00 0.03 0.00 0.00 46.19 41.86 3gfu s LEU 94 CO 0.59 -0.86 1.01 -1.83 0.23 0.00 0.00 176.35 175.49 3gfu s GLU 95 N -2.24 3.54 3.50 1.70 4.04 -1.26 -4.92 118.70 123.05 3gfu s GLU 95 Ca 0.57 -1.83 0.00 0.00 0.04 0.00 0.00 54.97 53.75 3gfu s GLU 95 Cb -0.38 -4.73 0.00 0.00 0.02 0.00 0.00 34.13 29.03 3gfu s GLU 95 CO 0.49 -1.66 0.00 0.41 -1.84 0.00 0.00 175.26 172.67 3gfu n GLY 96 N 5.16 0.09 3.83 -3.83 0.00 -1.26 -4.86 105.19 104.32 3gfu n GLY 96 Ca 0.18 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3gfu n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gfu s SER 97 N -4.00 5.81 0.00 1.61 0.01 -1.26 -5.01 113.70 110.86 3gfu s SER 97 Ca 0.00 1.62 0.00 0.00 1.31 0.00 0.00 55.95 58.88 3gfu s SER 97 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3gfu s SER 97 CO 0.00 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.11 3gfu n GLY 98 N -1.86 -0.13 3.05 3.44 0.00 -1.26 -5.07 105.19 103.36 3gfu n GLY 98 Ca 0.07 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3gfu n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gfu s ILE 99 N -2.91 2.19 0.02 -0.61 1.01 -1.26 -5.09 121.20 114.56 3gfu s ILE 99 Ca 0.00 -1.88 -0.28 0.00 0.00 0.00 0.00 60.65 58.49 3gfu s ILE 99 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3gfu s ILE 99 CO 0.00 -0.23 0.90 0.00 0.00 0.00 0.00 174.94 175.61 3gfu s ALA 100 N 1.04 3.24 -0.07 9.38 0.00 -1.26 -5.05 121.76 129.04 3gfu s ALA 100 Ca -0.02 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.41 3gfu s ALA 100 Cb -0.20 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3gfu s ALA 100 CO -0.06 -0.12 -0.17 0.08 0.00 0.00 0.00 175.76 175.49 3gfu s VAL 101 N 0.61 2.81 -0.01 0.00 1.01 -1.26 -5.12 120.40 118.45 3gfu s VAL 101 Ca 0.47 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3gfu s VAL 101 Cb -0.21 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3gfu s VAL 101 CO 0.26 0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.94 3gfu s ALA 102 N -0.31 0.06 -0.22 5.51 0.00 -1.26 -4.65 121.76 120.89 3gfu s ALA 102 Ca 0.02 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 3gfu s ALA 102 Cb -0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 3gfu s ALA 102 CO 0.03 -0.05 0.24 -1.17 0.00 0.00 0.00 175.76 174.81 3gfu s LEU 103 N 0.53 4.14 -0.20 0.00 2.96 -1.26 -4.93 118.68 119.91 3gfu s LEU 103 Ca -0.04 0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3gfu s LEU 103 Cb -0.07 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 3gfu s LEU 103 CO -0.01 0.03 0.09 -0.60 -1.32 0.00 0.00 176.35 174.53 3gfu s ARG 104 N 1.07 3.96 -0.16 1.98 3.52 -1.26 -0.92 118.95 127.14 3gfu s ARG 104 Ca 0.12 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.32 3gfu s ARG 104 Cb -0.14 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3gfu s ARG 104 CO 0.05 0.16 0.01 0.99 -0.81 0.00 0.00 175.30 175.70 3gfu s THR 105 N 0.69 4.29 -0.12 4.11 2.01 0.36 -4.95 115.64 122.04 3gfu s THR 105 Ca 0.04 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3gfu s THR 105 Cb -0.13 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.50 3gfu s THR 105 CO 0.02 0.49 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.57 3gfu s LYS 106 N 0.27 1.94 0.13 4.92 2.20 -1.26 -0.79 119.74 127.14 3gfu s LYS 106 Ca -0.00 -0.43 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 3gfu s LYS 106 Cb -0.13 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 3gfu s LYS 106 CO 0.02 -0.18 0.15 -0.48 -0.36 0.00 0.00 175.35 174.50 3gfu s LEU 107 N 1.36 1.50 0.10 5.43 0.05 -0.75 -4.98 118.68 121.39 3gfu s LEU 107 Ca 0.00 -0.96 -0.28 0.00 0.05 0.00 0.00 54.13 52.94 3gfu s LEU 107 Cb -0.14 0.75 -0.06 0.00 -2.05 0.00 0.00 46.19 44.69 3gfu s LEU 107 CO -0.06 -0.77 0.89 -0.54 -0.55 0.00 0.00 176.35 175.31 3gfu s LYS 108 N -3.97 4.64 -0.34 1.48 1.02 -1.26 -0.67 119.74 120.65 3gfu s LYS 108 Ca 0.16 1.32 -0.05 0.00 0.02 0.00 0.00 55.97 57.42 3gfu s LYS 108 Cb 0.06 -3.36 0.05 0.00 -0.52 0.00 0.00 37.83 34.06 3gfu s LYS 108 CO -0.03 0.28 0.09 -1.17 -0.92 0.00 0.00 175.35 173.60 3gfu s LEU 109 N -0.18 4.30 0.05 3.17 2.96 0.14 -1.68 118.68 127.44 3gfu s LEU 109 Ca 0.43 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.87 3gfu s LEU 109 Cb -0.23 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.58 3gfu s LEU 109 CO 0.28 -0.33 0.61 -0.36 -1.32 0.00 0.00 176.35 175.22 3gfu s PHE 110 N 1.34 3.77 -0.25 5.38 0.08 0.15 -0.19 117.98 128.26 3gfu s PHE 110 Ca -0.02 1.30 -0.08 0.00 0.12 0.00 0.00 56.93 58.25 3gfu s PHE 110 Cb -0.20 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 3gfu s PHE 110 CO 0.01 0.48 0.10 -0.47 -0.10 0.00 0.00 175.22 175.24 3gfu s TYR 111 N -0.72 3.14 -0.40 0.36 5.04 0.77 0.29 117.35 125.83 3gfu s TYR 111 Ca 0.31 -0.23 -0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3gfu s TYR 111 Cb -0.19 -2.25 0.11 0.00 0.35 0.00 0.00 41.96 39.97 3gfu s TYR 111 CO 0.19 -0.25 0.17 0.50 -1.34 0.00 0.00 175.55 174.82 3gfu s ARG 112 N 1.49 1.86 0.83 4.97 3.52 -0.69 -1.57 118.95 129.36 3gfu s ARG 112 Ca 0.06 -1.90 -0.15 0.00 -0.13 0.00 0.00 55.73 53.62 3gfu s ARG 112 Cb -0.15 -3.46 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3gfu s ARG 112 CO 0.05 -1.04 0.49 -2.30 -0.81 0.00 0.00 175.30 171.70 3gfu n PRO 113 N 4.39 0.05 -0.30 5.12 -0.02 -1.26 -0.62 135.00 142.36 3gfu n PRO 113 Ca 0.00 0.06 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 3gfu n PRO 113 Cb 0.41 -1.86 0.29 0.00 -0.02 0.00 0.00 33.50 32.31 3gfu n PRO 113 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gfu h LYS 114 N -0.91 0.35 0.00 -0.52 1.57 -1.86 -0.94 116.57 114.26 3gfu h LYS 114 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3gfu h LYS 114 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3gfu h LYS 114 CO 0.39 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 3gfu h ALA 115 N 1.71 1.00 -0.01 3.86 0.00 -1.89 -2.85 119.26 121.07 3gfu h ALA 115 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3gfu h ALA 115 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3gfu h ALA 115 CO -0.54 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 179.94 3gfu n LEU 116 N -2.61 1.79 0.31 0.00 4.77 -0.37 -4.64 117.00 116.25 3gfu n LEU 116 Ca -0.00 -0.95 0.18 0.00 -0.03 0.00 0.00 56.01 55.21 3gfu n LEU 116 Cb 0.16 0.00 1.03 0.00 -2.33 0.00 0.00 43.42 42.28 3gfu n LEU 116 CO 0.19 0.34 1.15 -0.07 -1.33 0.00 0.00 177.39 177.67 3gfu h LEU 117 N 1.99 0.00 0.00 2.23 3.38 -1.37 -3.12 115.31 118.43 3gfu h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gfu h LEU 117 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gfu h LEU 117 CO 0.00 0.00 -0.75 -0.62 0.09 0.00 0.00 178.44 177.16 3gfu n GLU 118 N -3.57 2.29 -0.57 1.13 1.02 -1.26 -4.65 120.64 115.04 3gfu n GLU 118 Ca -0.03 -0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.17 3gfu n GLU 118 Cb 0.08 -1.16 0.30 0.00 -0.02 0.00 0.00 31.44 30.63 3gfu n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfu n GLY 119 N 1.36 3.81 0.16 0.62 0.00 -1.18 -4.71 105.19 105.25 3gfu n GLY 119 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3gfu n GLY 119 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gfu h ARG 120 N 2.32 0.47 -6.18 1.61 9.65 -1.83 -3.40 114.38 117.03 3gfu h ARG 120 Ca 0.01 -0.16 -0.67 0.00 -1.10 0.00 0.00 59.98 58.06 3gfu h ARG 120 Cb 1.59 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 30.14 3gfu h ARG 120 CO 0.30 0.65 1.08 1.63 2.80 0.00 0.00 179.97 186.43 3gfu n LYS 121 N -4.59 1.66 -1.38 0.20 4.01 -1.26 -0.92 118.16 115.87 3gfu n LYS 121 Ca -0.03 0.59 -0.13 0.00 -0.51 0.00 0.00 58.31 58.23 3gfu n LYS 121 Cb 0.26 -2.44 -0.06 0.00 -0.51 0.00 0.00 35.03 32.29 3gfu n LYS 121 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gfu n GLY 122 N 4.66 1.37 0.35 0.72 0.00 -1.26 -4.86 105.19 106.16 3gfu n GLY 122 Ca 0.27 -0.30 0.18 0.00 0.00 0.00 0.00 46.02 46.17 3gfu n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gfu h ALA 123 N 0.00 1.79 -0.09 4.61 0.00 -1.24 -0.92 119.26 123.41 3gfu h ALA 123 Ca -0.27 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gfu h ALA 123 Cb 0.93 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gfu h ALA 123 CO 0.40 -0.35 0.30 0.93 0.00 0.00 0.00 179.25 180.52 3gfu h GLU 124 N 0.00 0.00 0.00 0.00 3.07 -1.89 0.88 114.58 116.64 3gfu h GLU 124 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3gfu h GLU 124 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3gfu h GLU 124 CO -0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 3gfu n GLU 125 N -3.16 0.35 -0.00 2.33 1.02 -0.35 -2.12 120.64 118.70 3gfu n GLU 125 Ca -0.00 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 3gfu n GLU 125 Cb 0.38 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 3gfu n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gfu n GLY 126 N -0.04 -0.64 3.73 0.62 0.00 0.30 -1.68 105.19 107.48 3gfu n GLY 126 Ca 0.09 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3gfu n GLY 126 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gfu n ILE 127 N -1.41 1.79 -4.39 -0.61 5.41 -0.90 -4.48 119.36 114.77 3gfu n ILE 127 Ca 0.03 -0.45 -0.31 0.00 1.00 0.00 0.00 62.75 63.03 3gfu n ILE 127 Cb 0.27 -1.76 -0.11 0.00 -0.71 0.00 0.00 39.64 37.34 3gfu n ILE 127 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3gfu s SER 128 N -0.09 4.29 -0.21 4.38 0.01 -0.93 -0.30 113.70 120.85 3gfu s SER 128 Ca 0.57 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 57.39 3gfu s SER 128 Cb -0.53 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.82 3gfu s SER 128 CO 0.60 0.22 0.12 -0.22 0.41 0.00 0.00 173.24 174.37 3gfu s LEU 129 N -1.83 4.08 -0.04 2.44 2.96 -1.26 -0.98 118.68 124.05 3gfu s LEU 129 Ca 0.19 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 3gfu s LEU 129 Cb -0.11 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3gfu s LEU 129 CO 0.10 0.14 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.09 3gfu s GLN 130 N 0.59 1.08 0.25 1.98 -0.21 0.16 -4.96 119.66 118.55 3gfu s GLN 130 Ca 0.07 -0.27 -0.24 0.00 0.02 0.00 0.00 55.36 54.94 3gfu s GLN 130 Cb -0.12 -0.99 -0.09 0.00 1.00 0.00 0.00 33.01 32.81 3gfu s GLN 130 CO 0.00 0.04 0.83 0.45 -2.12 0.00 0.00 175.29 174.49 3gfu s SER 131 N 0.50 7.26 0.00 5.90 0.15 -1.26 0.55 113.70 126.80 3gfu s SER 131 Ca -0.08 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.21 3gfu s SER 131 Cb -0.12 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3gfu s SER 131 CO 0.01 0.04 0.00 -1.14 1.20 0.00 0.00 173.24 173.35 3gfu n ARG 132 N 0.86 0.00 0.00 5.44 3.00 -1.26 -4.95 116.66 119.76 3gfu n ARG 132 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3gfu n ARG 132 Cb 0.50 -0.63 0.00 0.00 0.00 0.00 0.00 32.46 32.33 3gfu n ARG 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gfu n GLY 135 N 2.74 0.16 3.85 5.14 0.00 -1.26 -5.14 105.19 110.68 3gfu n GLY 135 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3gfu n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gfu s ARG 136 N -1.46 3.93 -0.37 1.61 0.52 -1.26 -5.06 118.95 116.85 3gfu s ARG 136 Ca 0.00 0.43 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 3gfu s ARG 136 Cb 0.00 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 3gfu s ARG 136 CO 0.00 0.44 0.30 0.99 0.02 0.00 0.00 175.30 177.06 3gfu s THR 137 N -1.54 5.23 -0.15 0.02 2.01 -1.26 -4.28 115.64 115.66 3gfu s THR 137 Ca 0.40 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 3gfu s THR 137 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3gfu s THR 137 CO 0.19 -0.15 0.01 -0.04 -0.69 0.00 0.00 174.62 173.94 3gfu s MET 138 N 1.82 3.63 -0.28 4.92 1.00 0.19 -1.55 119.30 129.04 3gfu s MET 138 Ca 0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 55.69 55.21 3gfu s MET 138 Cb -0.18 -3.00 -0.04 0.00 0.00 0.00 0.00 34.83 31.61 3gfu s MET 138 CO 0.11 0.36 0.30 -1.17 0.00 0.00 0.00 175.02 174.62 3gfu s LEU 139 N 0.07 4.04 -0.11 -0.03 2.96 0.42 0.36 118.68 126.39 3gfu s LEU 139 Ca 0.02 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3gfu s LEU 139 Cb -0.13 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.28 3gfu s LEU 139 CO 0.02 -0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.06 3gfu s VAL 140 N 1.94 1.60 -1.27 1.68 1.01 -0.15 -0.26 120.40 124.96 3gfu s VAL 140 Ca 0.12 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3gfu s VAL 140 Cb -0.16 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3gfu s VAL 140 CO 0.10 0.46 1.81 -3.20 0.00 0.00 0.00 175.10 174.27 3gfu n ASN 141 N 4.09 4.34 -3.18 3.32 2.85 0.16 -2.19 115.26 124.63 3gfu n ASN 141 Ca -0.19 -2.85 -0.36 0.00 -0.11 0.00 0.00 54.58 51.07 3gfu n ASN 141 Cb 0.51 -1.74 -0.02 0.00 1.24 0.00 0.00 39.78 39.77 3gfu n ASN 141 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3gfu n THR 142 N 6.83 4.68 -3.97 -0.44 -2.24 -1.26 0.13 114.28 118.01 3gfu n THR 142 Ca 0.48 -3.93 -0.08 0.00 -2.27 0.00 0.00 64.05 58.25 3gfu n THR 142 Cb 0.46 -1.93 -0.08 0.00 -2.10 0.00 0.00 70.33 66.67 3gfu n THR 142 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3gfu s THR 143 N -1.47 0.16 -1.60 4.28 -4.23 -1.26 -1.36 115.64 110.16 3gfu s THR 143 Ca 0.56 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 3gfu s THR 143 Cb 0.24 -1.49 0.21 0.00 1.34 0.00 0.00 72.50 72.80 3gfu s THR 143 CO -0.13 -0.74 1.06 -0.81 -0.54 0.00 0.00 174.62 173.46 3gfu n PRO 144 N -0.01 1.71 -4.40 3.99 -0.05 -1.26 -4.39 135.00 130.59 3gfu n PRO 144 Ca -0.13 -0.82 -0.31 0.00 -0.05 0.00 0.00 63.50 62.18 3gfu n PRO 144 Cb 0.62 -1.35 -0.10 0.00 -0.05 0.00 0.00 33.50 32.62 3gfu n PRO 144 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 3gfu s TYR 145 N -1.65 2.83 -0.14 0.54 2.02 -1.26 -1.19 117.35 118.50 3gfu s TYR 145 Ca 0.15 -0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.54 3gfu s TYR 145 Cb 0.09 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3gfu s TYR 145 CO 0.08 0.38 0.66 0.42 -1.57 0.00 0.00 175.55 175.52 3gfu s ILE 146 N -1.07 5.03 0.28 2.71 1.01 -1.26 -3.84 121.20 124.05 3gfu s ILE 146 Ca 0.19 1.30 0.10 0.00 0.00 0.00 0.00 60.65 62.24 3gfu s ILE 146 Cb -0.11 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 3gfu s ILE 146 CO 0.10 0.17 -0.05 -0.36 0.00 0.00 0.00 174.94 174.80 3gfu s PHE 147 N 1.43 2.59 -0.28 3.97 0.08 0.12 -4.96 117.98 120.93 3gfu s PHE 147 Ca 0.32 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.13 3gfu s PHE 147 Cb -0.16 -1.18 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 3gfu s PHE 147 CO 0.13 0.63 -0.02 0.00 -0.10 0.00 0.00 175.22 175.86 3gfu s ALA 148 N -2.39 2.35 -0.21 5.36 0.00 -1.26 -1.69 121.76 123.92 3gfu s ALA 148 Ca 0.31 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 3gfu s ALA 148 Cb -0.05 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3gfu s ALA 148 CO 0.19 -1.41 -0.03 0.42 0.00 0.00 0.00 175.76 174.94 3gfu s ILE 149 N 1.20 3.63 -0.18 0.00 1.01 0.35 -1.85 121.20 125.35 3gfu s ILE 149 Ca 0.01 -0.42 0.16 0.00 0.00 0.00 0.00 60.65 60.40 3gfu s ILE 149 Cb -0.19 -2.64 -0.24 0.00 0.01 0.00 0.00 42.46 39.40 3gfu s ILE 149 CO -0.09 0.43 0.13 0.61 0.00 0.00 0.00 174.94 176.02 3gfu n GLY 150 N 4.49 -0.96 3.07 6.18 0.00 -0.59 -4.01 105.19 113.37 3gfu n GLY 150 Ca -0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3gfu n GLY 150 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gfu s SER 151 N -5.64 -0.22 -0.18 1.61 0.01 -1.23 -5.01 113.70 103.03 3gfu s SER 151 Ca -0.11 0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 3gfu s SER 151 Cb 0.06 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 3gfu s SER 151 CO 0.82 -0.10 -0.06 -0.76 0.41 0.00 0.00 173.24 173.55 3gfu s LEU 152 N 0.48 3.00 -0.10 2.44 1.43 -1.26 -1.19 118.68 123.48 3gfu s LEU 152 Ca -0.03 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3gfu s LEU 152 Cb -0.04 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3gfu s LEU 152 CO -0.02 0.09 -0.10 -0.76 0.23 0.00 0.00 176.35 175.79 3gfu s LEU 153 N 0.80 2.96 0.89 1.79 1.02 0.07 0.88 118.68 127.09 3gfu s LEU 153 Ca -0.02 -0.17 -0.14 0.00 0.02 0.00 0.00 54.13 53.83 3gfu s LEU 153 Cb -0.15 -1.65 0.15 0.00 0.02 0.00 0.00 46.19 44.56 3gfu s LEU 153 CO 0.02 0.27 1.25 1.51 0.02 0.00 0.00 176.35 179.41 3gfu s ASP 154 N -0.25 3.73 0.45 2.29 1.47 -0.23 -0.43 116.67 123.69 3gfu s ASP 154 Ca 0.03 0.44 0.18 0.00 1.18 0.00 0.00 52.55 54.37 3gfu s ASP 154 Cb -0.13 -0.68 1.12 0.00 -0.34 0.00 0.00 42.92 42.90 3gfu s ASP 154 CO 0.03 -2.36 1.93 1.23 0.68 0.00 0.00 175.17 176.68 3gfu h GLY 155 N -1.35 0.57 2.00 2.12 0.00 -1.90 0.53 103.07 105.04 3gfu h GLY 155 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3gfu h GLY 155 CO 0.49 0.05 0.00 3.45 0.00 0.00 0.00 176.54 180.53 3gfu h ASN 156 N 0.33 0.00 0.00 0.19 7.08 -1.93 -3.46 115.58 117.79 3gfu h ASN 156 Ca 0.35 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.57 3gfu h ASN 156 Cb 0.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 3gfu h ASN 156 CO -0.10 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.86 3gfu n GLY 157 N 1.03 0.61 3.81 9.14 0.00 0.18 -5.09 105.19 114.86 3gfu n GLY 157 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3gfu n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gfu s LYS 158 N -0.61 3.34 0.19 1.61 0.00 -1.26 -4.65 119.74 118.36 3gfu s LYS 158 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 55.97 56.82 3gfu s LYS 158 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 37.83 35.71 3gfu s LYS 158 CO 0.00 -0.79 1.27 0.21 0.00 0.00 0.00 175.35 176.05 3gfu s LYS 159 N -4.17 4.42 -0.12 1.78 2.20 -1.26 -1.07 119.74 121.53 3gfu s LYS 159 Ca 0.63 1.99 -0.12 0.00 -0.36 0.00 0.00 55.97 58.11 3gfu s LYS 159 Cb -0.15 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 3gfu s LYS 159 CO 0.38 -0.20 0.26 0.42 -0.36 0.00 0.00 175.35 175.85 3gfu s ILE 160 N 0.08 5.31 0.13 5.43 1.01 0.25 -4.87 121.20 128.54 3gfu s ILE 160 Ca 0.55 0.49 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 3gfu s ILE 160 Cb -0.35 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3gfu s ILE 160 CO 0.38 0.50 0.63 0.00 0.00 0.00 0.00 174.94 176.44 3gfu s ALA 161 N -0.31 3.53 0.02 9.38 0.00 -1.26 -4.38 121.76 128.75 3gfu s ALA 161 Ca 0.17 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.26 3gfu s ALA 161 Cb -0.13 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 3gfu s ALA 161 CO 0.06 0.38 -0.14 0.95 0.00 0.00 0.00 175.76 177.00 3gfu s THR 162 N -1.26 1.14 0.99 0.00 -4.23 -1.26 -4.67 115.64 106.36 3gfu s THR 162 Ca 0.34 -0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 3gfu s THR 162 Cb -0.19 -1.00 0.18 0.00 1.34 0.00 0.00 72.50 72.83 3gfu s THR 162 CO 0.21 0.14 1.12 1.51 -0.54 0.00 0.00 174.62 177.05 3gfu s ASP 163 N -0.83 2.74 0.14 3.99 -4.77 -1.26 -4.71 116.67 111.98 3gfu s ASP 163 Ca 0.03 0.97 -0.28 0.00 -3.30 0.00 0.00 52.55 49.97 3gfu s ASP 163 Cb -0.07 -1.51 -0.03 0.00 -1.09 0.00 0.00 42.92 40.22 3gfu s ASP 163 CO 0.01 -3.03 1.58 -1.13 0.70 0.00 0.00 175.17 173.29 3gfu h ASN 164 N -1.83 -1.41 -0.76 2.11 -1.24 -2.01 0.12 115.58 110.57 3gfu h ASN 164 Ca -0.51 0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.70 3gfu h ASN 164 Cb 1.32 0.60 -0.04 0.00 0.73 0.00 0.00 38.32 40.94 3gfu h ASN 164 CO 0.56 -0.39 0.47 1.23 -1.29 0.00 0.00 177.43 178.00 3gfu h GLY 165 N -0.39 1.10 1.49 1.57 0.00 -1.99 -0.11 103.07 104.74 3gfu h GLY 165 Ca 0.11 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 3gfu h GLY 165 CO -0.51 0.44 -0.65 -0.84 0.00 0.00 0.00 176.54 174.97 3gfu h THR 166 N 1.05 1.34 -0.70 4.70 2.02 -1.83 -1.99 112.91 117.50 3gfu h THR 166 Ca 0.28 -1.96 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 3gfu h THR 166 Cb -0.05 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3gfu h THR 166 CO -0.05 0.60 0.25 0.74 0.37 0.00 0.00 175.52 177.42 3gfu h THR 167 N 0.38 1.25 -0.14 3.16 2.02 0.14 -1.70 112.91 118.01 3gfu h THR 167 Ca -0.02 -0.81 -0.20 0.00 0.77 0.00 0.00 66.41 66.15 3gfu h THR 167 Cb 1.22 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3gfu h THR 167 CO 0.12 0.32 -0.68 -0.61 0.37 0.00 0.00 175.52 175.04 3gfu h GLN 168 N 1.02 0.70 -0.89 6.66 5.75 -1.00 -2.91 115.11 124.44 3gfu h GLN 168 Ca 0.23 -0.57 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 3gfu h GLN 168 Cb 0.24 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 3gfu h GLN 168 CO -0.01 1.19 0.55 0.87 -2.65 0.00 0.00 178.83 178.77 3gfu h LYS 169 N 0.39 1.21 0.00 1.69 1.57 -1.25 -2.21 116.57 117.97 3gfu h LYS 169 Ca -0.05 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gfu h LYS 169 Cb 1.32 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gfu h LYS 169 CO 0.14 0.84 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.78 3gfu h LEU 170 N 1.23 0.00 -0.06 2.94 3.38 -1.24 -1.62 115.31 119.93 3gfu h LEU 170 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3gfu h LEU 170 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gfu h LEU 170 CO -0.06 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.66 3gfu n LEU 171 N -3.13 0.63 -3.12 1.67 4.77 -0.84 -0.50 117.00 116.49 3gfu n LEU 171 Ca -0.01 0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 56.33 3gfu n LEU 171 Cb 0.24 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 3gfu n LEU 171 CO 0.26 -0.18 -0.12 0.23 -1.33 0.00 0.00 177.39 176.25 3gfu n MET 172 N -2.10 1.65 -2.82 3.23 2.81 -0.62 -4.46 117.12 114.81 3gfu n MET 172 Ca 0.05 -3.83 -0.43 0.00 -1.81 0.00 0.00 57.70 51.69 3gfu n MET 172 Cb 0.39 -1.85 -0.03 0.00 -0.71 0.00 0.00 33.22 31.01 3gfu n MET 172 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 3gfu s PHE 173 N -2.69 2.74 0.36 2.03 5.36 -0.68 -4.93 117.98 120.16 3gfu s PHE 173 Ca 0.42 -0.76 -0.09 0.00 -0.96 0.00 0.00 56.93 55.54 3gfu s PHE 173 Cb 0.32 -4.36 -0.06 0.00 -0.34 0.00 0.00 43.02 38.57 3gfu s PHE 173 CO -0.10 -1.68 0.70 -1.64 -1.46 0.00 0.00 175.22 171.04 3gfu s MET 174 N 3.94 3.76 0.01 10.12 -1.94 -1.26 -0.70 119.30 133.23 3gfu s MET 174 Ca 0.29 0.35 -0.38 0.00 -1.71 0.00 0.00 55.69 54.23 3gfu s MET 174 Cb -0.11 -2.48 -0.18 0.00 2.01 0.00 0.00 34.83 34.08 3gfu s MET 174 CO 0.03 0.07 1.32 -2.30 -0.01 0.00 0.00 175.02 174.13 3gfu n PRO 175 N -1.07 0.80 0.00 2.03 -0.02 -1.25 -0.27 135.00 135.22 3gfu n PRO 175 Ca 0.01 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3gfu n PRO 175 Cb 0.54 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3gfu n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gfu n GLY 176 N 2.47 3.22 3.76 -1.23 0.00 0.12 -5.01 105.19 108.52 3gfu n GLY 176 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3gfu n GLY 176 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gfu n ASP 177 N 0.05 3.26 -4.14 1.61 9.92 0.62 -4.67 116.55 123.20 3gfu n ASP 177 Ca 0.00 1.10 -0.19 0.00 -0.53 0.00 0.00 54.79 55.16 3gfu n ASP 177 Cb 0.00 -1.60 -0.13 0.00 -0.64 0.00 0.00 41.12 38.75 3gfu n ASP 177 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3gfu s GLU 178 N -2.53 0.88 -0.03 -1.24 -1.05 -1.26 0.35 118.70 113.83 3gfu s GLU 178 Ca 0.63 -0.79 0.01 0.00 -0.15 0.00 0.00 54.97 54.67 3gfu s GLU 178 Cb -0.44 -0.88 0.02 0.00 -0.44 0.00 0.00 34.13 32.39 3gfu s GLU 178 CO 0.56 0.21 -0.01 0.08 0.95 0.00 0.00 175.26 177.06 3gfu s VAL 179 N -0.94 0.20 -0.09 1.83 1.01 0.65 -4.94 120.40 118.11 3gfu s VAL 179 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3gfu s VAL 179 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3gfu s VAL 179 CO 0.01 0.14 1.35 -1.58 0.00 0.00 0.00 175.10 175.02 3gfu s GLN 180 N 0.87 4.25 0.07 2.72 0.74 -1.26 -0.44 119.66 126.62 3gfu s GLN 180 Ca -0.09 1.82 0.07 0.00 0.05 0.00 0.00 55.36 57.22 3gfu s GLN 180 Cb -0.12 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 3gfu s GLN 180 CO -0.01 -0.66 -0.16 0.14 -0.55 0.00 0.00 175.29 174.05 3gfu s VAL 181 N 3.14 2.96 -0.81 1.34 -7.23 -0.59 -4.94 120.40 114.27 3gfu s VAL 181 Ca 0.60 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3gfu s VAL 181 Cb -0.26 -2.31 0.34 0.00 0.56 0.00 0.00 36.38 34.71 3gfu s VAL 181 CO 0.21 0.24 1.55 0.29 -0.31 0.00 0.00 175.10 177.08 3gfu n LYS 182 N 1.20 4.12 0.00 4.82 4.01 -1.26 -4.38 118.16 126.67 3gfu n LYS 182 Ca -0.15 -4.49 0.00 0.00 -0.51 0.00 0.00 58.31 53.16 3gfu n LYS 182 Cb 0.52 -2.35 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 3gfu n LYS 182 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gfu n GLY 183 N -0.25 0.53 3.51 0.72 0.00 -1.26 -4.86 105.19 103.57 3gfu n GLY 183 Ca 0.43 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3gfu n GLY 183 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gfu s ASN 184 N 0.00 6.33 0.04 1.61 2.47 -1.26 -5.00 114.94 119.13 3gfu s ASN 184 Ca 0.00 -1.11 -0.30 0.00 0.42 0.00 0.00 52.86 51.86 3gfu s ASN 184 Cb 0.00 -2.50 -0.05 0.00 -1.45 0.00 0.00 41.25 37.25 3gfu s ASN 184 CO 0.00 -1.52 1.20 -0.69 -3.72 0.00 0.00 177.10 172.37 3gfu s VAL 185 N 4.58 4.07 -0.07 -5.21 1.01 -1.26 -3.86 120.40 119.67 3gfu s VAL 185 Ca 0.34 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.84 3gfu s VAL 185 Cb -0.08 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 3gfu s VAL 185 CO 0.03 0.09 -0.00 0.52 0.00 0.00 0.00 175.10 175.74 3gfu n VAL 186 N 4.05 0.44 -4.07 2.92 0.31 0.42 -4.93 118.33 117.48 3gfu n VAL 186 Ca 0.09 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.09 3gfu n VAL 186 Cb 0.46 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 3gfu n VAL 186 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3gfu s LYS 187 N -2.16 0.55 0.01 5.55 1.02 -0.83 -1.81 119.74 122.08 3gfu s LYS 187 Ca -0.05 -1.01 0.04 0.00 0.02 0.00 0.00 55.97 54.97 3gfu s LYS 187 Cb 0.02 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3gfu s LYS 187 CO 0.24 -0.06 -0.13 0.14 -0.92 0.00 0.00 175.35 174.62 3gfu s VAL 188 N -2.88 1.01 -0.11 3.17 -7.23 0.13 -0.75 120.40 113.76 3gfu s VAL 188 Ca -0.01 -0.75 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 3gfu s VAL 188 Cb 0.00 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 3gfu s VAL 188 CO -0.05 0.13 0.42 -1.81 -0.31 0.00 0.00 175.10 173.48 3gfu s ASP 189 N -0.71 6.65 0.00 4.85 1.01 -0.33 -0.62 116.67 127.52 3gfu s ASP 189 Ca 0.03 0.77 -0.09 0.00 0.71 0.00 0.00 52.55 53.97 3gfu s ASP 189 Cb -0.06 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.62 3gfu s ASP 189 CO 0.00 0.08 0.18 -0.55 0.21 0.00 0.00 175.17 175.10 3gfu s SER 190 N 0.27 -0.02 -0.15 0.27 0.15 0.35 -1.54 113.70 113.03 3gfu s SER 190 Ca 0.23 -0.16 -0.17 0.00 0.70 0.00 0.00 55.95 56.55 3gfu s SER 190 Cb -0.15 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3gfu s SER 190 CO 0.09 -0.41 0.43 -0.76 1.20 0.00 0.00 173.24 173.80 3gfu s LEU 191 N -1.44 4.24 0.00 3.45 1.43 -0.77 -0.19 118.68 125.40 3gfu s LEU 191 Ca -0.14 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3gfu s LEU 191 Cb -0.07 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.57 3gfu s LEU 191 CO 0.02 -0.01 0.09 -0.46 0.23 0.00 0.00 176.35 176.22 3gfu n ASN 192 N 3.88 0.02 0.26 2.29 0.23 -0.22 -4.59 115.26 117.13 3gfu n ASN 192 Ca -0.08 -1.04 0.17 0.00 -0.53 0.00 0.00 54.58 53.10 3gfu n ASN 192 Cb 0.51 -0.07 0.93 0.00 -2.08 0.00 0.00 39.78 39.07 3gfu n ASN 192 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3gfu h ASP 193 N -0.11 0.00 -0.47 0.53 3.32 -1.97 -1.40 116.42 116.31 3gfu h ASP 193 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3gfu h ASP 193 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3gfu h ASP 193 CO 0.02 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 3gfu n TYR 194 N -2.70 0.70 -1.21 4.55 4.01 -1.26 -4.75 117.16 116.50 3gfu n TYR 194 Ca -0.02 -0.53 -0.06 0.00 -0.16 0.00 0.00 57.90 57.13 3gfu n TYR 194 Cb 0.06 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 3gfu n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gfu n GLY 195 N 0.81 0.83 3.81 2.72 0.00 -0.53 -4.77 105.19 108.07 3gfu n GLY 195 Ca 0.17 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3gfu n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gfu s GLU 196 N -2.58 4.04 -0.35 1.61 2.02 -1.26 -4.81 118.70 117.38 3gfu s GLU 196 Ca 0.00 0.43 -0.25 0.00 0.02 0.00 0.00 54.97 55.17 3gfu s GLU 196 Cb 0.00 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.97 3gfu s GLU 196 CO 0.00 0.56 0.89 -1.17 0.02 0.00 0.00 175.26 175.56 3gfu s LEU 197 N -0.68 4.03 0.20 1.80 2.96 -1.26 -1.06 118.68 124.68 3gfu s LEU 197 Ca 0.24 0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.85 3gfu s LEU 197 Cb -0.16 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 3gfu s LEU 197 CO 0.13 -0.78 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.11 3gfu s GLN 198 N 3.31 1.36 -0.19 1.98 -0.21 0.74 -4.86 119.66 121.79 3gfu s GLN 198 Ca 0.36 -1.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.09 3gfu s GLN 198 Cb -0.13 -1.25 -0.05 0.00 1.00 0.00 0.00 33.01 32.58 3gfu s GLN 198 CO 0.17 0.23 0.11 0.99 -2.12 0.00 0.00 175.29 174.66 3gfu s THR 199 N -2.67 5.26 0.03 -0.19 2.01 -1.26 -0.50 115.64 118.31 3gfu s THR 199 Ca 0.22 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.41 3gfu s THR 199 Cb -0.03 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3gfu s THR 199 CO 0.08 0.46 -0.18 0.26 -0.69 0.00 0.00 174.62 174.55 3gfu s TRP 200 N 0.28 1.55 -0.22 4.92 0.52 0.21 -4.98 118.94 121.23 3gfu s TRP 200 Ca 0.07 -0.34 -0.19 0.00 0.02 0.00 0.00 56.10 55.66 3gfu s TRP 200 Cb -0.11 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 3gfu s TRP 200 CO -0.01 0.04 0.58 0.99 0.02 0.00 0.00 176.95 178.57 3gfu s THR 201 N -0.70 5.04 0.88 2.01 2.01 -1.26 -0.69 115.64 122.93 3gfu s THR 201 Ca 0.05 1.05 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 3gfu s THR 201 Cb -0.08 -3.89 0.19 0.00 0.01 0.00 0.00 72.50 68.73 3gfu s THR 201 CO 0.01 0.10 1.19 2.30 -0.69 0.00 0.00 174.62 177.54 3gfu n ILE 202 N 4.86 0.00 -2.12 1.82 -5.35 -0.75 -4.32 119.36 113.50 3gfu n ILE 202 Ca -0.03 -1.16 0.00 0.00 -0.27 0.00 0.00 62.75 61.29 3gfu n ILE 202 Cb 0.50 -1.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.09 3gfu n ILE 202 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gfu n ASN 203 N -3.52 0.00 0.05 7.28 2.04 0.59 -4.84 115.26 116.86 3gfu n ASN 203 Ca 0.16 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 54.08 3gfu n ASN 203 Cb 0.57 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.68 3gfu n ASN 203 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 3gfu h LYS 204 N 1.13 0.34 -6.26 -3.83 1.57 -1.52 -3.49 116.57 104.50 3gfu h LYS 204 Ca 0.00 -0.57 -0.47 0.00 -1.87 0.00 0.00 60.65 57.74 3gfu h LYS 204 Cb 0.00 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3gfu h LYS 204 CO 0.00 1.27 -0.38 0.15 -0.57 0.00 0.00 179.45 179.93 3gfu s LYS 205 N -2.53 2.79 0.05 3.15 3.01 -0.77 -5.03 119.74 120.41 3gfu s LYS 205 Ca -0.17 -1.28 -0.31 0.00 -1.01 0.00 0.00 55.97 53.20 3gfu s LYS 205 Cb 0.05 -2.58 -0.10 0.00 -1.01 0.00 0.00 37.83 34.19 3gfu s LYS 205 CO 0.82 -0.04 1.90 1.17 0.51 0.00 0.00 175.35 179.72 3gfu n LYS 206 N -1.55 2.70 -2.14 1.68 4.81 -1.26 -4.69 118.16 117.71 3gfu n LYS 206 Ca 0.01 0.99 -0.42 0.00 -0.87 0.00 0.00 58.31 58.03 3gfu n LYS 206 Cb 0.60 -2.90 -0.03 0.00 0.02 0.00 0.00 35.03 32.72 3gfu n LYS 206 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3gfu s PRO 207 N 3.73 4.33 -0.07 1.64 0.04 -1.26 -4.92 135.00 138.49 3gfu s PRO 207 Ca 0.87 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.75 3gfu s PRO 207 Cb -0.50 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 3gfu s PRO 207 CO 0.42 -0.35 1.61 0.00 0.04 0.00 0.00 177.00 178.72 3gfu s ALA 208 N 0.35 3.62 0.10 8.56 0.00 -0.47 -4.93 121.76 129.00 3gfu s ALA 208 Ca 0.60 0.88 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 3gfu s ALA 208 Cb -0.38 -3.73 -0.12 0.00 0.00 0.00 0.00 23.12 18.89 3gfu s ALA 208 CO 0.37 -1.36 1.68 0.00 0.00 0.00 0.00 175.76 176.45 3gfu h ALA 209 N 9.36 -0.31 -0.87 0.00 0.00 -1.92 -2.97 119.26 122.55 3gfu h ALA 209 Ca -0.38 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 54.70 3gfu h ALA 209 Cb 1.17 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 3gfu h ALA 209 CO 0.96 -0.70 0.35 -1.35 0.00 0.00 0.00 179.25 178.51 3gfu h PRO 210 N -0.34 0.36 0.00 0.00 0.11 -2.00 -1.93 132.00 128.20 3gfu h PRO 210 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3gfu h PRO 210 Cb 0.32 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3gfu h PRO 210 CO -0.04 0.24 -0.06 1.05 -0.21 0.00 0.00 178.00 178.98 3gfu h GLU 211 N 0.37 0.00 0.00 1.05 9.09 -1.87 -3.49 114.58 119.73 3gfu h GLU 211 Ca 0.53 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 3gfu h GLU 211 Cb 1.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.10 3gfu h GLU 211 CO -0.53 0.04 0.00 0.00 0.05 0.00 0.00 179.01 178.57