#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 4.34 -0.02 -3.43 1.43 -1.25 -0.07 118.68 119.67 3gfu s LEU 2 Ca 0.00 2.57 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 3gfu s LEU 2 Cb 0.00 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.46 3gfu s LEU 2 CO 0.00 -0.61 0.35 0.00 0.23 0.00 0.00 176.35 176.32 3gfu s ALA 3 N -1.23 -0.88 0.28 4.21 0.00 0.31 -4.90 121.76 119.55 3gfu s ALA 3 Ca 0.52 0.42 0.11 0.00 0.00 0.00 0.00 51.96 53.01 3gfu s ALA 3 Cb -0.37 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3gfu s ALA 3 CO 0.48 -0.27 -0.13 0.14 0.00 0.00 0.00 175.76 175.98 3gfu s VAL 4 N -1.31 2.81 0.23 0.00 -7.23 -1.26 -0.59 120.40 113.04 3gfu s VAL 4 Ca -0.13 -2.24 0.16 0.00 -1.81 0.00 0.00 61.98 57.96 3gfu s VAL 4 Cb -0.05 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.50 3gfu s VAL 4 CO 0.05 -0.39 1.73 0.44 -0.31 0.00 0.00 175.10 176.62 3gfu h ASP 5 N 2.13 0.00 -2.33 4.85 5.19 -2.00 -3.45 116.42 120.81 3gfu h ASP 5 Ca -0.41 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.40 3gfu h ASP 5 Cb 1.26 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.64 3gfu h ASP 5 CO 0.60 0.42 -0.73 -1.10 -3.12 0.00 0.00 179.24 175.31 3gfu s GLN 6 N -3.70 1.86 0.00 3.56 -1.52 -1.26 -5.00 119.66 113.60 3gfu s GLN 6 Ca -0.01 -1.62 0.17 0.00 -1.95 0.00 0.00 55.36 51.95 3gfu s GLN 6 Cb 0.12 -1.91 0.49 0.00 -0.22 0.00 0.00 33.01 31.50 3gfu s GLN 6 CO 0.70 0.35 1.41 0.25 -0.25 0.00 0.00 175.29 177.75 3gfu n THR 7 N -0.59 0.61 -3.67 -0.19 -2.24 -1.26 -4.90 114.28 102.04 3gfu n THR 7 Ca -0.06 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 60.92 3gfu n THR 7 Cb 0.59 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 3gfu n THR 7 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gfu s ARG 8 N -1.39 0.73 0.03 -0.78 0.52 -1.26 -3.98 118.95 112.81 3gfu s ARG 8 Ca 0.35 0.52 0.04 0.00 -0.52 0.00 0.00 55.73 56.12 3gfu s ARG 8 Cb 0.19 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.98 3gfu s ARG 8 CO 0.25 -0.14 -0.13 0.71 0.02 0.00 0.00 175.30 176.01 3gfu s TYR 9 N -0.25 1.12 -0.24 -0.53 2.02 -0.06 -4.98 117.35 114.44 3gfu s TYR 9 Ca -0.04 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 3gfu s TYR 9 Cb -0.03 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3gfu s TYR 9 CO 0.03 0.02 -0.04 0.42 -1.57 0.00 0.00 175.55 174.41 3gfu s ILE 10 N -0.79 3.22 -0.30 2.71 1.09 -1.26 -0.05 121.20 125.82 3gfu s ILE 10 Ca 0.01 -0.70 -0.21 0.00 -1.10 0.00 0.00 60.65 58.65 3gfu s ILE 10 Cb -0.07 -2.54 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 3gfu s ILE 10 CO 0.01 0.32 0.68 0.12 -0.10 0.00 0.00 174.94 175.97 3gfu s PHE 11 N 1.43 3.21 -0.09 3.97 5.36 0.45 -4.93 117.98 127.38 3gfu s PHE 11 Ca 0.04 0.66 -0.23 0.00 -0.96 0.00 0.00 56.93 56.43 3gfu s PHE 11 Cb -0.15 -3.05 -0.03 0.00 -0.34 0.00 0.00 43.02 39.44 3gfu s PHE 11 CO -0.04 -0.50 0.69 1.03 -1.46 0.00 0.00 175.22 174.95 3gfu s ARG 12 N 2.71 4.40 0.57 10.12 0.52 -1.26 -0.61 118.95 135.39 3gfu s ARG 12 Ca 0.27 0.84 0.31 0.00 -0.52 0.00 0.00 55.73 56.63 3gfu s ARG 12 Cb -0.15 -3.47 1.42 0.00 0.52 0.00 0.00 34.95 33.28 3gfu s ARG 12 CO 0.12 0.02 1.78 0.78 0.02 0.00 0.00 175.30 178.01 3gfu h GLY 13 N 7.00 0.00 -2.07 -3.53 0.00 0.06 -0.14 103.07 104.39 3gfu h GLY 13 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3gfu h GLY 13 CO 0.76 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.39 3gfu n ASP 14 N -3.83 3.06 -4.52 0.19 5.68 -1.26 -4.56 116.55 111.32 3gfu n ASP 14 Ca 0.17 -1.98 -0.26 0.00 -0.50 0.00 0.00 54.79 52.23 3gfu n ASP 14 Cb 1.01 -0.35 -0.10 0.00 -1.14 0.00 0.00 41.12 40.54 3gfu n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3gfu s LYS 15 N -1.30 1.86 0.00 0.11 -0.14 -0.07 -5.02 119.74 115.18 3gfu s LYS 15 Ca 0.39 -1.48 0.29 0.00 -1.36 0.00 0.00 55.97 53.80 3gfu s LYS 15 Cb 0.20 -1.98 1.18 0.00 -1.68 0.00 0.00 37.83 35.55 3gfu s LYS 15 CO 0.27 0.39 1.85 -0.25 -0.76 0.00 0.00 175.35 176.85 3gfu n ASP 16 N -0.19 0.27 -3.69 2.83 10.43 -1.26 -4.87 116.55 120.08 3gfu n ASP 16 Ca -0.09 -0.19 -0.02 0.00 2.57 0.00 0.00 54.79 57.07 3gfu n ASP 16 Cb 0.57 -0.17 -0.01 0.00 1.84 0.00 0.00 41.12 43.35 3gfu n ASP 16 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gfu s ALA 17 N -2.70 -1.92 -0.07 2.24 0.00 -1.26 -4.66 121.76 113.39 3gfu s ALA 17 Ca 0.23 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.65 3gfu s ALA 17 Cb 0.19 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3gfu s ALA 17 CO 0.52 -1.02 -0.19 -1.17 0.00 0.00 0.00 175.76 173.90 3gfu s LEU 18 N -2.92 1.90 -0.15 0.00 2.96 -0.48 -4.78 118.68 115.21 3gfu s LEU 18 Ca 0.13 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3gfu s LEU 18 Cb 0.01 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 3gfu s LEU 18 CO -0.01 0.12 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.16 3gfu s THR 19 N 0.37 3.39 -0.01 3.68 2.01 -1.26 -0.89 115.64 122.93 3gfu s THR 19 Ca -0.14 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3gfu s THR 19 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 3gfu s THR 19 CO 0.06 0.51 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.74 3gfu s ILE 20 N 0.42 0.95 -0.24 1.82 1.01 -0.04 -4.97 121.20 120.16 3gfu s ILE 20 Ca -0.07 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 3gfu s ILE 20 Cb -0.15 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 3gfu s ILE 20 CO 0.04 0.27 0.23 -0.89 0.00 0.00 0.00 174.94 174.59 3gfu s THR 21 N -0.27 5.31 -0.16 2.92 2.01 -1.26 0.69 115.64 124.88 3gfu s THR 21 Ca 0.04 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.29 3gfu s THR 21 Cb -0.05 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3gfu s THR 21 CO -0.00 0.31 0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 3gfu s VAL 22 N 1.21 5.04 0.06 3.82 1.01 0.96 -4.48 120.40 128.02 3gfu s VAL 22 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3gfu s VAL 22 Cb -0.14 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3gfu s VAL 22 CO 0.06 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.64 3gfu s THR 23 N -0.17 3.03 -0.44 3.92 2.01 0.24 0.72 115.64 124.96 3gfu s THR 23 Ca 0.09 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 60.73 3gfu s THR 23 Cb -0.12 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.10 3gfu s THR 23 CO 0.01 0.27 0.44 0.21 -0.69 0.00 0.00 174.62 174.85 3gfu s ASN 24 N -1.68 6.18 0.00 3.53 2.47 -0.61 0.12 114.94 124.94 3gfu s ASN 24 Ca 0.17 -0.85 0.17 0.00 0.42 0.00 0.00 52.86 52.77 3gfu s ASN 24 Cb -0.11 -2.22 0.86 0.00 -1.45 0.00 0.00 41.25 38.34 3gfu s ASN 24 CO 0.08 -0.62 1.58 -0.46 -3.72 0.00 0.00 177.10 173.96 3gfu n ASN 25 N 5.55 0.64 -4.74 -4.21 0.23 0.90 0.23 115.26 113.85 3gfu n ASN 25 Ca -0.09 -1.59 -0.40 0.00 -0.53 0.00 0.00 54.58 51.97 3gfu n ASN 25 Cb 0.46 -0.05 -0.05 0.00 -2.08 0.00 0.00 39.78 38.07 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 -1.50 7.48 0.29 0.53 -1.08 -1.26 -4.64 116.67 116.48 3gfu s ASP 26 Ca 0.27 1.76 0.15 0.00 -0.52 0.00 0.00 52.55 54.21 3gfu s ASP 26 Cb 0.13 -2.56 0.25 0.00 -1.46 0.00 0.00 42.92 39.28 3gfu s ASP 26 CO 0.21 0.03 1.53 0.07 0.52 0.00 0.00 175.17 177.53 3gfu h LYS 27 N 5.12 0.00 0.00 4.34 5.09 -1.94 -2.72 116.57 126.46 3gfu h LYS 27 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 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 0.70 0.54 -0.73 0.39 -2.09 0.00 0.00 179.45 178.26 3gfu n GLU 28 N -3.38 2.91 -4.00 0.07 -0.58 -1.26 -4.80 120.64 109.60 3gfu n GLU 28 Ca 0.01 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 3gfu n GLU 28 Cb 0.68 -0.87 -0.06 0.00 -0.57 0.00 0.00 31.44 30.62 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 -1.73 3.30 0.00 3.49 1.81 -1.26 -4.74 118.95 119.82 3gfu s ARG 29 Ca 0.00 -0.30 -0.24 0.00 -1.72 0.00 0.00 55.73 53.47 3gfu s ARG 29 Cb 0.00 -3.04 -0.05 0.00 -0.45 0.00 0.00 34.95 31.41 3gfu s ARG 29 CO 0.00 0.71 0.74 0.99 -0.68 0.00 0.00 175.30 177.05 3gfu s THR 30 N -1.14 4.85 -0.10 0.02 2.01 -1.26 -3.61 115.64 116.41 3gfu s THR 30 Ca 0.20 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.77 3gfu s THR 30 Cb -0.12 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 3gfu s THR 30 CO 0.10 0.33 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 3gfu s PHE 31 N 0.22 2.70 0.72 4.92 0.40 -0.59 -3.84 117.98 122.52 3gfu s PHE 31 Ca 0.38 -0.65 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 3gfu s PHE 31 Cb -0.19 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.61 3gfu s PHE 31 CO 0.21 -0.19 1.07 0.20 0.70 0.00 0.00 175.22 177.21 3gfu s GLY 32 N 0.12 1.66 0.05 4.36 0.00 0.70 -0.75 107.32 113.46 3gfu s GLY 32 Ca -0.08 0.02 -0.10 0.00 0.00 0.00 0.00 44.72 44.56 3gfu s GLY 32 CO 0.05 0.36 0.20 -0.32 0.00 0.00 0.00 173.10 173.39 3gfu s GLY 33 N -3.80 0.03 0.03 0.20 0.00 0.14 0.22 107.32 104.14 3gfu s GLY 33 Ca 0.59 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 45.03 3gfu s GLY 33 CO 0.55 -0.49 -0.10 1.62 0.00 0.00 0.00 173.10 174.67 3gfu s GLN 34 N -2.74 0.72 -0.03 2.90 0.74 -0.91 -0.07 119.66 120.27 3gfu s GLN 34 Ca -0.04 -0.62 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 3gfu s GLN 34 Cb -0.00 -0.66 0.02 0.00 1.10 0.00 0.00 33.01 33.46 3gfu s GLN 34 CO -0.05 0.16 0.06 0.00 -0.55 0.00 0.00 175.29 174.92 3gfu s ALA 35 N -0.81 -0.11 0.24 1.58 0.00 -0.58 -0.39 121.76 121.70 3gfu s ALA 35 Ca -0.01 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.00 3gfu s ALA 35 Cb -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.91 3gfu s ALA 35 CO 0.01 -0.06 0.67 1.67 0.00 0.00 0.00 175.76 178.05 3gfu s TRP 36 N 0.41 -0.30 -0.10 0.00 -2.14 -0.89 -4.59 118.94 111.34 3gfu s TRP 36 Ca -0.03 -0.08 0.01 0.00 2.66 0.00 0.00 56.10 58.66 3gfu s TRP 36 Cb -0.05 0.65 0.02 0.00 -3.10 0.00 0.00 33.47 30.99 3gfu s TRP 36 CO -0.01 -1.10 -0.11 0.08 -2.66 0.00 0.00 176.95 173.15 3gfu s VAL 37 N -3.86 1.16 -0.06 -0.66 1.01 -1.26 -0.70 120.40 116.03 3gfu s VAL 37 Ca 0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 3gfu s VAL 37 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3gfu s VAL 37 CO 0.00 0.38 0.16 -1.81 0.00 0.00 0.00 175.10 173.83 3gfu s ASP 38 N 1.18 6.37 0.69 3.32 1.01 0.19 -4.66 116.67 124.77 3gfu s ASP 38 Ca -0.04 0.40 -0.12 0.00 0.71 0.00 0.00 52.55 53.49 3gfu s ASP 38 Cb -0.14 -2.03 0.01 0.00 1.01 0.00 0.00 42.92 41.77 3gfu s ASP 38 CO -0.03 0.33 1.08 0.20 0.21 0.00 0.00 175.17 176.96 3gfu s ASN 39 N -1.53 5.15 0.01 0.27 0.01 -1.26 -1.92 114.94 115.66 3gfu s ASN 39 Ca 0.22 1.79 -0.03 0.00 -0.71 0.00 0.00 52.86 54.13 3gfu s ASN 39 Cb -0.12 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 3gfu s ASN 39 CO 0.12 -1.60 -0.06 -0.38 -1.51 0.00 0.00 177.10 173.68 3gfu n ILE 40 N -2.89 0.78 0.06 0.60 5.41 -1.26 -4.81 119.36 117.25 3gfu n ILE 40 Ca 0.09 0.16 -0.22 0.00 1.00 0.00 0.00 62.75 63.78 3gfu n ILE 40 Cb 0.53 -1.64 -0.15 0.00 -0.71 0.00 0.00 39.64 37.68 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 -0.16 1.19 -3.12 1.39 2.07 -1.95 -3.45 116.25 112.22 3gfu h VAL 41 Ca -0.05 -2.52 -0.53 0.00 0.82 0.00 0.00 66.70 64.42 3gfu h VAL 41 Cb 0.61 2.92 0.07 0.00 -1.52 0.00 0.00 31.29 33.37 3gfu h VAL 41 CO -0.03 0.76 0.91 -1.61 0.02 0.00 0.00 177.57 177.61 3gfu s GLU 42 N -2.51 4.15 0.21 1.57 8.01 -1.26 -4.91 118.70 123.96 3gfu s GLU 42 Ca -0.15 2.54 0.18 0.00 0.01 0.00 0.00 54.97 57.55 3gfu s GLU 42 Cb 0.04 -3.06 0.02 0.00 -4.31 0.00 0.00 34.13 26.82 3gfu s GLU 42 CO 0.84 -0.64 1.17 1.57 0.01 0.00 0.00 175.26 178.20 3gfu h LYS 43 N 5.55 0.00 -6.81 1.61 -0.00 -1.97 -3.46 116.57 111.48 3gfu h LYS 43 Ca -0.45 0.00 -0.56 0.00 -0.00 0.00 0.00 60.65 59.63 3gfu h LYS 43 Cb 1.21 0.00 0.12 0.00 -0.00 0.00 0.00 32.23 33.57 3gfu h LYS 43 CO 0.85 0.25 0.47 -3.47 -0.00 0.00 0.00 179.45 177.54 3gfu n ASP 44 N -2.97 2.49 -0.06 7.07 2.03 -1.26 -4.89 116.55 118.96 3gfu n ASP 44 Ca -0.02 1.11 0.15 0.00 0.52 0.00 0.00 54.79 56.55 3gfu n ASP 44 Cb 0.70 -1.49 0.78 0.00 -0.72 0.00 0.00 41.12 40.39 3gfu n ASP 44 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3gfu n THR 45 N -0.19 0.00 -1.99 5.18 -2.24 -1.26 -4.84 114.28 108.94 3gfu n THR 45 Ca 0.07 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3gfu n THR 45 Cb 0.39 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 3gfu n THR 45 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gfu s ARG 46 N -2.30 4.05 0.28 -0.78 3.52 -1.26 -4.90 118.95 117.56 3gfu s ARG 46 Ca 0.36 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.76 3gfu s ARG 46 Cb 0.21 -4.02 -0.13 0.00 -1.56 0.00 0.00 34.95 29.45 3gfu s ARG 46 CO 0.42 -1.00 1.43 -2.30 -0.81 0.00 0.00 175.30 173.04 3gfu n PRO 47 N 7.33 2.23 0.05 5.12 -0.02 -1.26 -4.90 135.00 143.56 3gfu n PRO 47 Ca 0.18 0.79 -0.21 0.00 -2.02 0.00 0.00 63.50 62.24 3gfu n PRO 47 Cb 0.43 -2.46 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.00 0.88 -3.56 3.45 2.02 -1.91 -3.39 112.91 113.41 3gfu h THR 48 Ca -0.46 -2.52 -0.63 0.00 0.77 0.00 0.00 66.41 63.58 3gfu h THR 48 Cb 1.26 2.69 -0.20 0.00 -1.74 0.00 0.00 68.15 70.16 3gfu h THR 48 CO 0.73 0.85 -0.83 -0.36 0.37 0.00 0.00 175.52 176.28 3gfu s PHE 49 N -2.58 2.14 0.04 3.16 0.40 -1.26 -0.42 117.98 119.46 3gfu s PHE 49 Ca -0.16 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 55.86 3gfu s PHE 49 Cb 0.06 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.45 3gfu s PHE 49 CO 0.83 0.37 -0.24 0.14 0.70 0.00 0.00 175.22 177.02 3gfu s VAL 50 N -1.45 1.96 -0.05 -0.44 -7.23 -0.26 -4.53 120.40 108.40 3gfu s VAL 50 Ca 0.15 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3gfu s VAL 50 Cb -0.09 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3gfu s VAL 50 CO 0.07 0.31 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.46 3gfu s VAL 51 N -0.80 4.08 -0.12 1.32 1.01 -1.26 -1.76 120.40 122.87 3gfu s VAL 51 Ca 0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3gfu s VAL 51 Cb -0.10 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3gfu s VAL 51 CO 0.02 0.52 0.01 -0.89 0.00 0.00 0.00 175.10 174.76 3gfu s THR 52 N -0.93 0.51 0.37 3.92 2.01 0.17 -3.00 115.64 118.69 3gfu s THR 52 Ca 0.15 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 3gfu s THR 52 Cb -0.11 -0.78 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 3gfu s THR 52 CO 0.05 0.10 0.84 -2.16 -0.69 0.00 0.00 174.62 172.76 3gfu s PRO 53 N 1.90 4.13 0.00 4.92 0.05 -1.26 -0.59 135.00 144.15 3gfu s PRO 53 Ca 0.03 0.90 0.26 0.00 0.05 0.00 0.00 61.00 62.25 3gfu s PRO 53 Cb -0.14 -2.34 0.76 0.00 0.05 0.00 0.00 34.50 32.83 3gfu s PRO 53 CO -0.07 0.08 1.58 -1.13 0.05 0.00 0.00 177.00 177.51 3gfu n SER 54 N -0.43 0.63 -3.67 6.66 3.41 -1.16 -4.72 113.62 114.33 3gfu n SER 54 Ca 0.05 -0.45 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 3gfu n SER 54 Cb 0.53 0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.75 -0.74 0.24 7.33 5.36 -1.26 -1.52 117.98 124.64 3gfu s PHE 55 Ca 0.18 1.46 -0.12 0.00 -0.96 0.00 0.00 56.93 57.50 3gfu s PHE 55 Cb 0.19 0.31 0.05 0.00 -0.34 0.00 0.00 43.02 43.22 3gfu s PHE 55 CO 0.59 -0.43 0.62 1.97 -1.46 0.00 0.00 175.22 176.51 3gfu n PHE 56 N 4.86 -1.75 -3.86 10.12 1.16 0.90 -5.00 117.46 123.90 3gfu n PHE 56 Ca -0.15 -1.21 -0.12 0.00 -1.87 0.00 0.00 57.45 54.09 3gfu n PHE 56 Cb 0.52 0.60 -0.13 0.00 -1.61 0.00 0.00 39.48 38.87 3gfu n PHE 56 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3gfu s LYS 57 N -2.06 0.15 -0.15 3.97 -0.14 -1.26 0.26 119.74 120.51 3gfu s LYS 57 Ca 0.13 0.02 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 3gfu s LYS 57 Cb -0.03 0.07 0.04 0.00 -1.68 0.00 0.00 37.83 36.22 3gfu s LYS 57 CO 0.07 -0.02 -0.07 0.08 -0.76 0.00 0.00 175.35 174.65 3gfu s VAL 58 N -0.19 1.12 0.89 3.17 1.01 0.07 -4.98 120.40 121.49 3gfu s VAL 58 Ca -0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 3gfu s VAL 58 Cb -0.02 -1.23 0.09 0.00 0.00 0.00 0.00 36.38 35.23 3gfu s VAL 58 CO 0.00 0.22 0.92 0.29 0.00 0.00 0.00 175.10 176.53 3gfu n LYS 59 N 4.89 -0.24 -1.70 2.72 4.01 -1.26 -1.53 118.16 125.04 3gfu n LYS 59 Ca -0.12 -0.01 -0.43 0.00 -0.51 0.00 0.00 58.31 57.23 3gfu n LYS 59 Cb 0.49 -2.22 -0.02 0.00 -0.51 0.00 0.00 35.03 32.77 3gfu n LYS 59 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 3gfu n PRO 60 N -3.16 2.24 -0.96 1.97 -0.04 -1.24 -0.42 135.00 133.40 3gfu n PRO 60 Ca 0.11 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 3gfu n PRO 60 Cb 0.52 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3gfu n PRO 60 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3gfu n ASN 61 N 1.85 -5.22 -4.64 3.54 6.94 0.14 -4.97 115.26 112.90 3gfu n ASN 61 Ca 0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.36 3gfu n ASN 61 Cb 0.34 -3.19 0.12 0.00 -2.36 0.00 0.00 39.78 34.69 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 1.67 0.05 4.83 0.00 0.44 -4.82 107.32 107.49 3gfu s GLY 62 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 3gfu s GLY 62 CO 0.00 -0.30 -0.12 1.20 0.00 0.00 0.00 173.10 173.88 3gfu s GLN 63 N -5.65 0.74 -0.08 2.90 -0.21 -1.26 -1.57 119.66 114.54 3gfu s GLN 63 Ca 0.66 -0.84 0.00 0.00 0.02 0.00 0.00 55.36 55.20 3gfu s GLN 63 Cb -0.08 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.27 3gfu s GLN 63 CO 0.50 0.15 -0.05 -1.14 -2.12 0.00 0.00 175.29 172.63 3gfu s GLN 64 N -1.53 1.12 0.03 2.91 2.00 0.22 -4.97 119.66 119.44 3gfu s GLN 64 Ca -0.04 -0.14 -0.30 0.00 -2.00 0.00 0.00 55.36 52.88 3gfu s GLN 64 Cb -0.09 -1.20 -0.04 0.00 0.80 0.00 0.00 33.01 32.48 3gfu s GLN 64 CO 0.01 -0.18 1.04 0.99 -0.50 0.00 0.00 175.29 176.65 3gfu s THR 65 N 1.42 4.60 -0.11 -0.34 2.01 -1.26 -0.03 115.64 121.93 3gfu s THR 65 Ca -0.02 1.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 3gfu s THR 65 Cb -0.13 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3gfu s THR 65 CO -0.03 0.16 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.24 3gfu s LEU 66 N 0.94 3.24 -0.16 4.42 1.43 0.22 -4.53 118.68 124.24 3gfu s LEU 66 Ca 0.54 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3gfu s LEU 66 Cb -0.24 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3gfu s LEU 66 CO 0.29 0.28 -0.11 -0.60 0.23 0.00 0.00 176.35 176.44 3gfu s ARG 67 N -0.33 3.35 -0.12 1.70 3.52 0.24 -0.86 118.95 126.45 3gfu s ARG 67 Ca 0.05 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 3gfu s ARG 67 Cb -0.12 -2.75 -0.00 0.00 -1.56 0.00 0.00 34.95 30.51 3gfu s ARG 67 CO 0.02 0.04 -0.20 0.42 -0.81 0.00 0.00 175.30 174.77 3gfu s ILE 68 N 0.82 2.38 0.15 4.11 1.01 -0.07 -0.66 121.20 128.94 3gfu s ILE 68 Ca -0.04 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3gfu s ILE 68 Cb -0.15 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3gfu s ILE 68 CO 0.01 0.54 -0.11 0.27 0.00 0.00 0.00 174.94 175.65 3gfu s ILE 69 N 0.48 1.24 -0.23 2.92 -5.25 -0.72 -1.38 121.20 118.26 3gfu s ILE 69 Ca -0.13 -2.02 -0.22 0.00 -0.99 0.00 0.00 60.65 57.29 3gfu s ILE 69 Cb -0.17 -1.81 -0.02 0.00 2.95 0.00 0.00 42.46 43.42 3gfu s ILE 69 CO 0.05 -0.69 0.69 -0.32 -1.79 0.00 0.00 174.94 172.88 3gfu s MET 70 N -3.57 4.17 -0.17 0.37 -2.45 -1.26 -1.10 119.30 115.28 3gfu s MET 70 Ca 0.16 0.68 0.13 0.00 -1.25 0.00 0.00 55.69 55.41 3gfu s MET 70 Cb 0.01 -3.62 -0.23 0.00 1.25 0.00 0.00 34.83 32.24 3gfu s MET 70 CO 0.01 -0.38 0.18 0.00 1.05 0.00 0.00 175.02 175.88 3gfu n ALA 71 N 5.54 1.45 -3.79 4.11 0.00 0.44 -4.74 120.51 123.51 3gfu n ALA 71 Ca 0.01 -1.13 -0.35 0.00 0.00 0.00 0.00 53.44 51.97 3gfu n ALA 71 Cb 0.49 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.47 3gfu n ALA 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gfu s SER 72 N -5.89 5.13 -0.03 0.00 0.01 -1.09 -5.01 113.70 106.82 3gfu s SER 72 Ca -0.14 -2.38 -0.05 0.00 1.31 0.00 0.00 55.95 54.69 3gfu s SER 72 Cb 0.07 -1.80 -0.23 0.00 0.21 0.00 0.00 66.02 64.27 3gfu s SER 72 CO 0.79 -0.45 3.46 0.47 0.41 0.00 0.00 173.24 177.92 3gfu n ASP 73 N 4.09 5.34 -1.29 2.44 8.00 -1.26 -4.46 116.55 129.42 3gfu n ASP 73 Ca 0.02 -2.53 -0.05 0.00 0.71 0.00 0.00 54.79 52.94 3gfu n ASP 73 Cb 0.40 -1.39 0.21 0.00 -0.02 0.00 0.00 41.12 40.32 3gfu n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gfu n HIS 74 N 2.31 1.37 -3.07 1.24 -0.00 -1.26 -5.06 115.22 110.76 3gfu n HIS 74 Ca 0.41 -1.49 -0.36 0.00 -0.00 0.00 0.00 57.72 56.28 3gfu n HIS 74 Cb 0.87 -0.53 -0.06 0.00 -0.00 0.00 0.00 29.99 30.27 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 -3.17 4.30 0.48 2.39 1.02 -1.26 -5.01 118.68 117.43 3gfu s LEU 75 Ca 0.46 1.45 -0.21 0.00 0.02 0.00 0.00 54.13 55.85 3gfu s LEU 75 Cb 0.41 -3.72 -0.10 0.00 0.02 0.00 0.00 46.19 42.80 3gfu s LEU 75 CO 0.03 -0.02 0.64 -2.65 0.02 0.00 0.00 176.35 174.37 3gfu n PRO 76 N 0.53 0.70 0.00 1.29 -0.02 -1.26 -4.91 135.00 131.32 3gfu n PRO 76 Ca -0.01 0.26 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3gfu n PRO 76 Cb 0.51 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.21 1.62 0.00 -0.52 5.02 -1.26 -4.60 118.16 118.63 3gfu n LYS 77 Ca 0.11 -0.36 0.05 0.00 -2.02 0.00 0.00 58.31 56.09 3gfu n LYS 77 Cb 0.43 -1.28 0.04 0.00 -0.02 0.00 0.00 35.03 34.19 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 -0.84 1.75 -3.57 4.39 5.75 -1.26 -4.59 116.55 118.19 3gfu n ASP 78 Ca 0.05 -1.38 -0.12 0.00 -0.01 0.00 0.00 54.79 53.34 3gfu n ASP 78 Cb 0.30 0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.39 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 -0.85 1.11 0.73 0.11 -2.85 -1.26 -4.75 119.74 111.99 3gfu s LYS 79 Ca 0.11 -0.54 -0.14 0.00 -1.00 0.00 0.00 55.97 54.41 3gfu s LYS 79 Cb 0.08 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 3gfu s LYS 79 CO 0.13 -0.44 1.14 -1.21 0.10 0.00 0.00 175.35 175.07 3gfu s GLU 80 N -3.45 2.27 0.25 1.78 2.02 0.66 -4.69 118.70 117.54 3gfu s GLU 80 Ca 0.00 1.49 0.10 0.00 0.02 0.00 0.00 54.97 56.59 3gfu s GLU 80 Cb 0.01 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 3gfu s GLU 80 CO -0.10 -1.68 -0.18 -1.12 0.02 0.00 0.00 175.26 172.20 3gfu s SER 81 N -2.56 3.23 0.01 -0.19 0.01 -0.62 -4.85 113.70 108.73 3gfu s SER 81 Ca 0.68 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.93 3gfu s SER 81 Cb -0.23 -0.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.75 3gfu s SER 81 CO 0.47 -0.03 -0.05 0.54 0.41 0.00 0.00 173.24 174.58 3gfu s VAL 82 N -2.67 0.35 0.26 3.43 0.11 -1.26 0.46 120.40 121.09 3gfu s VAL 82 Ca 0.27 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3gfu s VAL 82 Cb -0.04 -0.37 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3gfu s VAL 82 CO 0.12 -0.13 0.10 -0.31 -3.33 0.00 0.00 175.10 171.55 3gfu s TYR 83 N -0.65 1.55 -0.38 1.54 2.02 0.34 -4.25 117.35 117.52 3gfu s TYR 83 Ca -0.04 -1.20 -0.12 0.00 -0.37 0.00 0.00 57.07 55.34 3gfu s TYR 83 Cb -0.05 -0.90 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 3gfu s TYR 83 CO -0.00 -0.35 0.23 -1.58 -1.57 0.00 0.00 175.55 172.28 3gfu s TRP 84 N -3.74 3.24 -0.14 2.71 0.23 -0.81 -0.60 118.94 119.83 3gfu s TRP 84 Ca 0.38 -0.86 -0.27 0.00 -2.03 0.00 0.00 56.10 53.32 3gfu s TRP 84 Cb 0.08 -2.48 -0.01 0.00 0.03 0.00 0.00 33.47 31.09 3gfu s TRP 84 CO 0.14 -0.63 0.90 -1.17 0.96 0.00 0.00 176.95 177.15 3gfu s LEU 85 N 1.59 4.21 -0.13 2.99 2.96 0.18 -0.64 118.68 129.84 3gfu s LEU 85 Ca 0.03 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 3gfu s LEU 85 Cb -0.19 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 3gfu s LEU 85 CO 0.08 -0.41 -0.05 0.20 -1.32 0.00 0.00 176.35 174.84 3gfu s ASN 86 N 1.12 4.70 -0.22 3.68 0.01 0.13 -1.34 114.94 123.01 3gfu s ASN 86 Ca 0.42 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.46 3gfu s ASN 86 Cb -0.17 -1.62 0.06 0.00 0.41 0.00 0.00 41.25 39.93 3gfu s ASN 86 CO 0.14 0.22 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.69 3gfu s LEU 87 N 0.05 2.27 -0.30 0.60 2.96 -0.11 -2.09 118.68 122.04 3gfu s LEU 87 Ca -0.01 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.78 3gfu s LEU 87 Cb -0.14 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.47 3gfu s LEU 87 CO 0.03 -0.23 0.12 -1.58 -1.32 0.00 0.00 176.35 173.37 3gfu s GLN 88 N 1.48 3.24 0.31 1.98 2.00 0.48 -0.58 119.66 128.56 3gfu s GLN 88 Ca -0.04 -0.77 -0.29 0.00 -2.00 0.00 0.00 55.36 52.25 3gfu s GLN 88 Cb -0.18 -3.48 -0.12 0.00 0.80 0.00 0.00 33.01 30.03 3gfu s GLN 88 CO -0.07 -0.42 1.41 -0.25 -0.50 0.00 0.00 175.29 175.47 3gfu n ASP 89 N 4.93 3.12 -3.92 6.67 8.00 0.25 -2.14 116.55 133.46 3gfu n ASP 89 Ca -0.14 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.23 3gfu n ASP 89 Cb 0.49 -1.51 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 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 -0.56 1.76 0.87 0.53 1.01 0.13 -4.60 121.20 120.34 3gfu s ILE 90 Ca 0.61 -1.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 3gfu s ILE 90 Cb -0.56 -2.27 0.11 0.00 0.01 0.00 0.00 42.46 39.75 3gfu s ILE 90 CO 0.56 -0.57 1.09 -2.16 0.00 0.00 0.00 174.94 173.87 3gfu s PRO 91 N 1.18 1.49 0.49 2.79 0.04 -1.26 -0.21 135.00 139.51 3gfu s PRO 91 Ca 0.09 0.79 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 3gfu s PRO 91 Cb -0.18 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 3gfu s PRO 91 CO -0.13 -2.07 1.25 -2.30 0.04 0.00 0.00 177.00 173.79 3gfu n PRO 92 N -3.76 1.71 -1.66 0.56 -0.02 -1.25 -4.77 135.00 125.81 3gfu n PRO 92 Ca 0.07 0.62 -0.44 0.00 -2.02 0.00 0.00 63.50 61.73 3gfu n PRO 92 Cb 0.55 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.85 -1.73 3.55 0.00 -1.26 -4.88 120.51 116.36 3gfu n ALA 93 Ca 0.09 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.49 3gfu n ALA 93 Cb 0.42 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3gfu n ALA 93 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gfu n LEU 94 N 1.15 4.08 -4.56 0.00 4.77 -1.26 -4.94 117.00 116.24 3gfu n LEU 94 Ca 0.07 1.09 -0.40 0.00 -0.03 0.00 0.00 56.01 56.74 3gfu n LEU 94 Cb 0.34 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 3gfu n LEU 94 CO 0.62 0.15 1.38 -1.83 -1.33 0.00 0.00 177.39 176.38 3gfu s GLU 95 N 0.56 3.41 2.66 3.23 4.04 -1.26 -4.89 118.70 126.45 3gfu s GLU 95 Ca 0.71 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.94 3gfu s GLU 95 Cb -0.51 -4.97 0.00 0.00 0.02 0.00 0.00 34.13 28.67 3gfu s GLU 95 CO 0.38 -2.25 0.00 0.41 -1.84 0.00 0.00 175.26 171.96 3gfu n GLY 96 N 6.41 -0.57 3.77 -3.83 0.00 -1.26 -4.77 105.19 104.93 3gfu n GLY 96 Ca 0.24 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 6.25 0.00 1.61 0.01 -1.26 -4.99 113.70 111.32 3gfu s SER 97 Ca 0.00 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.57 3gfu s SER 97 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3gfu s SER 97 CO 0.00 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.40 3gfu n GLY 98 N 0.47 -1.31 3.17 3.44 0.00 -1.26 -5.09 105.19 104.61 3gfu n GLY 98 Ca 0.07 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.94 3.31 -0.05 -0.61 1.01 -1.26 -5.08 121.20 115.58 3gfu s ILE 99 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.71 3gfu s ILE 99 Cb 0.00 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3gfu s ILE 99 CO 0.00 -0.40 1.19 0.00 0.00 0.00 0.00 174.94 175.74 3gfu s ALA 100 N 1.24 3.48 -0.15 9.38 0.00 -1.26 -5.04 121.76 129.41 3gfu s ALA 100 Ca 0.02 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 3gfu s ALA 100 Cb -0.21 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 3gfu s ALA 100 CO -0.02 -0.74 -0.07 0.08 0.00 0.00 0.00 175.76 175.02 3gfu s VAL 101 N 2.14 3.62 -0.01 0.00 1.01 -1.26 -5.11 120.40 120.79 3gfu s VAL 101 Ca 0.56 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3gfu s VAL 101 Cb -0.25 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 3gfu s VAL 101 CO 0.22 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.75 3gfu s ALA 102 N 0.41 0.64 -0.25 5.51 0.00 -1.26 -4.69 121.76 122.12 3gfu s ALA 102 Ca -0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 3gfu s ALA 102 Cb -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3gfu s ALA 102 CO 0.04 0.12 0.12 -1.17 0.00 0.00 0.00 175.76 174.87 3gfu s LEU 103 N 0.04 3.73 -0.23 0.00 2.96 -1.26 -4.94 118.68 118.98 3gfu s LEU 103 Ca -0.00 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3gfu s LEU 103 Cb -0.05 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 3gfu s LEU 103 CO -0.00 -0.01 0.10 -0.60 -1.32 0.00 0.00 176.35 174.52 3gfu s ARG 104 N 1.48 3.88 -0.25 1.98 3.52 -1.26 -0.59 118.95 127.72 3gfu s ARG 104 Ca 0.06 -0.37 -0.09 0.00 -0.13 0.00 0.00 55.73 55.19 3gfu s ARG 104 Cb -0.15 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 3gfu s ARG 104 CO 0.06 0.02 0.13 0.99 -0.81 0.00 0.00 175.30 175.69 3gfu s THR 105 N 1.09 4.97 -0.13 4.11 2.01 0.25 -4.95 115.64 122.99 3gfu s THR 105 Ca 0.05 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 3gfu s THR 105 Cb -0.14 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 3gfu s THR 105 CO 0.04 0.33 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.44 3gfu s LYS 106 N 1.32 3.37 0.19 4.92 2.20 -1.26 -0.94 119.74 129.54 3gfu s LYS 106 Ca 0.06 -0.65 -0.14 0.00 -0.36 0.00 0.00 55.97 54.87 3gfu s LYS 106 Cb -0.15 -2.66 0.01 0.00 -1.51 0.00 0.00 37.83 33.53 3gfu s LYS 106 CO 0.06 0.26 0.45 -0.48 -0.36 0.00 0.00 175.35 175.27 3gfu s LEU 107 N 0.25 0.37 0.04 5.43 0.05 -0.45 -4.99 118.68 119.38 3gfu s LEU 107 Ca -0.08 -0.64 -0.24 0.00 0.05 0.00 0.00 54.13 53.21 3gfu s LEU 107 Cb -0.15 1.82 -0.06 0.00 -2.05 0.00 0.00 46.19 45.76 3gfu s LEU 107 CO 0.05 -1.02 0.74 -0.54 -0.55 0.00 0.00 176.35 175.04 3gfu s LYS 108 N -3.92 4.47 -0.22 1.48 1.02 -1.26 -0.64 119.74 120.68 3gfu s LYS 108 Ca 0.13 1.03 -0.05 0.00 0.02 0.00 0.00 55.97 57.09 3gfu s LYS 108 Cb 0.00 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3gfu s LYS 108 CO -0.01 0.30 0.01 -1.17 -0.92 0.00 0.00 175.35 173.57 3gfu s LEU 109 N -0.11 3.21 -0.10 3.17 2.96 0.23 -0.88 118.68 127.16 3gfu s LEU 109 Ca 0.37 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3gfu s LEU 109 Cb -0.20 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3gfu s LEU 109 CO 0.22 0.01 0.16 -0.36 -1.32 0.00 0.00 176.35 175.06 3gfu s PHE 110 N 1.35 3.60 -0.26 5.38 0.08 0.93 0.13 117.98 129.18 3gfu s PHE 110 Ca 0.04 0.52 -0.10 0.00 0.12 0.00 0.00 56.93 57.52 3gfu s PHE 110 Cb -0.15 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 3gfu s PHE 110 CO 0.01 0.72 0.15 -0.47 -0.10 0.00 0.00 175.22 175.53 3gfu s TYR 111 N -1.08 3.21 -0.33 0.36 5.04 0.17 0.17 117.35 124.89 3gfu s TYR 111 Ca 0.17 0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 3gfu s TYR 111 Cb -0.12 -2.30 0.09 0.00 0.35 0.00 0.00 41.96 39.97 3gfu s TYR 111 CO 0.07 -0.14 0.04 0.50 -1.34 0.00 0.00 175.55 174.68 3gfu s ARG 112 N 1.50 1.86 0.54 4.97 3.52 0.22 -1.58 118.95 129.96 3gfu s ARG 112 Ca 0.07 -1.68 -0.22 0.00 -0.13 0.00 0.00 55.73 53.76 3gfu s ARG 112 Cb -0.15 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 3gfu s ARG 112 CO 0.07 -0.85 1.32 -2.30 -0.81 0.00 0.00 175.30 172.73 3gfu n PRO 113 N 4.41 1.67 -0.30 5.12 -0.02 -1.26 0.75 135.00 145.36 3gfu n PRO 113 Ca -0.03 0.61 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 3gfu n PRO 113 Cb 0.42 -2.53 0.15 0.00 -0.02 0.00 0.00 33.50 31.53 3gfu n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3gfu n LYS 114 N -0.90 -0.07 0.13 -0.52 4.01 -1.26 0.21 118.16 119.76 3gfu n LYS 114 Ca 0.10 1.29 0.18 0.00 -0.51 0.00 0.00 58.31 59.37 3gfu n LYS 114 Cb 0.44 -1.96 0.62 0.00 -0.51 0.00 0.00 35.03 33.62 3gfu n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gfu h ALA 115 N 1.67 2.04 -0.00 7.82 0.00 -1.89 -2.24 119.26 126.66 3gfu h ALA 115 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gfu h ALA 115 Cb 0.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gfu h ALA 115 CO -0.84 -0.82 0.00 1.28 0.00 0.00 0.00 179.25 178.87 3gfu n LEU 116 N -3.24 1.17 0.10 0.00 4.77 0.13 -4.62 117.00 115.30 3gfu n LEU 116 Ca 0.07 -1.06 0.17 0.00 -0.03 0.00 0.00 56.01 55.16 3gfu n LEU 116 Cb 0.77 -0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.57 3gfu n LEU 116 CO 0.19 0.28 1.15 -0.07 -1.33 0.00 0.00 177.39 177.61 3gfu h LEU 117 N 0.26 0.00 -0.43 2.23 3.38 -1.32 -2.84 115.31 116.59 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gfu h LEU 117 CO 0.00 0.00 -0.69 -0.62 0.09 0.00 0.00 178.44 177.22 3gfu n GLU 118 N -4.28 0.99 -0.34 1.13 1.02 -1.26 -4.56 120.64 113.33 3gfu n GLU 118 Ca 0.05 -0.42 0.09 0.00 -0.02 0.00 0.00 57.16 56.86 3gfu n GLU 118 Cb 0.44 -1.41 0.22 0.00 -0.02 0.00 0.00 31.44 30.67 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 1.40 4.34 0.07 0.62 0.00 -1.07 -4.76 105.19 105.79 3gfu n GLY 119 Ca 0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 1.22 0.10 -6.38 1.61 9.65 -1.80 -3.39 114.38 115.38 3gfu h ARG 120 Ca 0.01 -0.01 -0.59 0.00 -1.10 0.00 0.00 59.98 58.28 3gfu h ARG 120 Cb 1.32 -0.02 0.03 0.00 -1.39 0.00 0.00 29.97 29.91 3gfu h ARG 120 CO 0.16 0.18 1.02 1.63 2.80 0.00 0.00 179.97 185.75 3gfu n LYS 121 N -4.98 2.29 -0.93 0.20 4.01 -1.26 -0.55 118.16 116.94 3gfu n LYS 121 Ca -0.06 0.84 0.00 0.00 -0.51 0.00 0.00 58.31 58.58 3gfu n LYS 121 Cb 0.08 -2.67 0.00 0.00 -0.51 0.00 0.00 35.03 31.93 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 4.08 0.33 0.53 0.72 0.00 -1.26 -4.85 105.19 104.75 3gfu n GLY 122 Ca 0.20 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.58 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 3.11 -0.15 4.61 0.00 -1.03 0.30 119.26 126.10 3gfu h ALA 123 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3gfu h ALA 123 Cb 0.34 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gfu h ALA 123 CO 0.00 -1.47 0.25 0.93 0.00 0.00 0.00 179.25 178.96 3gfu h GLU 124 N 0.02 0.00 0.00 0.00 3.07 -1.89 -0.00 114.58 115.78 3gfu h GLU 124 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 3gfu h GLU 124 Cb 2.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.21 3gfu h GLU 124 CO -0.02 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.98 3gfu n GLU 125 N -3.46 0.14 0.01 2.33 1.02 0.11 -2.14 120.64 118.64 3gfu n GLU 125 Ca 0.01 0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.45 3gfu n GLU 125 Cb 0.35 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.29 -1.15 3.76 0.62 0.00 -0.02 -1.65 105.19 106.45 3gfu n GLY 126 Ca 0.05 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3gfu n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gfu s ILE 127 N -3.07 2.47 0.10 -0.61 1.01 -0.91 -4.43 121.20 115.76 3gfu s ILE 127 Ca 0.08 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.19 3gfu s ILE 127 Cb 0.16 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3gfu s ILE 127 CO 0.79 0.01 -0.25 -0.44 0.00 0.00 0.00 174.94 175.04 3gfu s SER 128 N -1.04 3.37 -0.28 3.58 0.01 -0.33 -0.74 113.70 118.27 3gfu s SER 128 Ca 0.67 -0.65 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 3gfu s SER 128 Cb -0.36 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 3gfu s SER 128 CO 0.44 0.21 0.08 -0.22 0.41 0.00 0.00 173.24 174.16 3gfu s LEU 129 N -1.77 3.70 -0.06 2.44 2.96 -1.26 -0.02 118.68 124.67 3gfu s LEU 129 Ca 0.14 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3gfu s LEU 129 Cb -0.10 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3gfu s LEU 129 CO 0.05 -0.13 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.62 3gfu s GLN 130 N 1.55 2.61 -0.04 1.98 -0.21 0.92 -4.94 119.66 121.53 3gfu s GLN 130 Ca 0.04 -0.86 -0.22 0.00 0.02 0.00 0.00 55.36 54.34 3gfu s GLN 130 Cb -0.16 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 3gfu s GLN 130 CO 0.03 0.40 0.66 -1.12 -2.12 0.00 0.00 175.29 173.15 3gfu s SER 131 N -0.20 6.98 0.38 5.90 0.01 -1.26 -0.34 113.70 125.17 3gfu s SER 131 Ca -0.02 1.18 0.03 0.00 1.31 0.00 0.00 55.95 58.45 3gfu s SER 131 Cb -0.13 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 3gfu s SER 131 CO 0.03 -0.04 0.56 -0.13 0.41 0.00 0.00 173.24 174.07 3gfu s ARG 132 N 0.46 3.16 0.50 12.44 1.81 -0.31 -4.97 118.95 132.04 3gfu s ARG 132 Ca 0.35 -0.68 0.30 0.00 -1.72 0.00 0.00 55.73 53.98 3gfu s ARG 132 Cb -0.18 -2.69 1.40 0.00 -0.45 0.00 0.00 34.95 33.03 3gfu s ARG 132 CO 0.18 -0.05 1.80 -1.35 -0.68 0.00 0.00 175.30 175.20 3gfu h PRO 133 N 0.68 0.12 -0.11 3.54 0.11 -1.98 -0.28 132.00 134.08 3gfu h PRO 133 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gfu h PRO 133 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gfu h PRO 133 CO 0.56 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3gfu n ASP 134 N -4.34 1.13 0.00 -2.05 5.75 -1.26 -4.88 116.55 110.91 3gfu n ASP 134 Ca 0.25 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 3gfu n ASP 134 Cb 1.09 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 3gfu n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gfu n GLY 135 N 1.03 0.78 3.75 6.12 0.00 -0.12 -5.04 105.19 111.71 3gfu n GLY 135 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.28 3.06 -0.20 1.61 0.52 -1.26 -4.82 118.95 117.59 3gfu s ARG 136 Ca 0.00 1.95 0.01 0.00 -0.52 0.00 0.00 55.73 57.17 3gfu s ARG 136 Cb 0.00 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.44 3gfu s ARG 136 CO 0.00 -1.16 -0.18 0.99 0.02 0.00 0.00 175.30 174.96 3gfu s THR 137 N -1.49 2.10 -0.06 0.02 2.01 -1.26 -1.16 115.64 115.81 3gfu s THR 137 Ca 0.75 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 61.75 3gfu s THR 137 Cb -0.33 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3gfu s THR 137 CO 0.37 0.44 -0.22 -0.04 -0.69 0.00 0.00 174.62 174.48 3gfu s MET 138 N 1.26 2.55 -0.26 4.92 1.00 0.53 -1.12 119.30 128.18 3gfu s MET 138 Ca 0.03 -0.84 -0.14 0.00 0.00 0.00 0.00 55.69 54.73 3gfu s MET 138 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 34.83 32.41 3gfu s MET 138 CO -0.11 0.45 0.33 -1.17 0.00 0.00 0.00 175.02 174.51 3gfu s LEU 139 N -0.31 4.05 -0.10 -0.03 2.96 -0.07 -0.05 118.68 125.13 3gfu s LEU 139 Ca 0.01 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 3gfu s LEU 139 Cb -0.13 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.21 3gfu s LEU 139 CO 0.02 -0.13 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.00 3gfu s VAL 140 N 1.86 2.00 -1.14 1.68 1.01 0.97 -0.62 120.40 126.15 3gfu s VAL 140 Ca 0.13 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3gfu s VAL 140 Cb -0.16 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.58 3gfu s VAL 140 CO 0.10 0.55 1.52 0.21 0.00 0.00 0.00 175.10 177.47 3gfu s ASN 141 N 0.40 6.73 -0.65 3.32 2.47 -0.78 -1.19 114.94 125.25 3gfu s ASN 141 Ca -0.18 -2.14 -0.03 0.00 0.42 0.00 0.00 52.86 50.93 3gfu s ASN 141 Cb -0.18 -2.53 0.16 0.00 -1.45 0.00 0.00 41.25 37.25 3gfu s ASN 141 CO 0.08 -1.21 2.50 0.35 -3.72 0.00 0.00 177.10 175.10 3gfu n THR 142 N 6.18 3.63 -4.19 -5.21 -2.24 -1.26 0.20 114.28 111.39 3gfu n THR 142 Ca 0.39 -3.57 -0.11 0.00 -2.27 0.00 0.00 64.05 58.49 3gfu n THR 142 Cb 0.48 -1.52 -0.10 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.07 0.64 -2.00 4.28 -4.23 -1.26 -0.46 115.64 109.55 3gfu s THR 143 Ca 0.56 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3gfu s THR 143 Cb 0.38 -1.85 0.26 0.00 1.34 0.00 0.00 72.50 72.62 3gfu s THR 143 CO -0.27 -0.71 1.31 -0.81 -0.54 0.00 0.00 174.62 173.60 3gfu n PRO 144 N -0.11 0.95 -4.29 3.99 -0.04 -1.26 -4.46 135.00 129.78 3gfu n PRO 144 Ca -0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 3gfu n PRO 144 Cb 0.62 -1.15 -0.10 0.00 -0.04 0.00 0.00 33.50 32.82 3gfu n PRO 144 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gfu s TYR 145 N -2.00 2.70 -0.15 0.54 2.02 -1.26 -0.24 117.35 118.95 3gfu s TYR 145 Ca 0.14 -0.18 -0.22 0.00 -0.37 0.00 0.00 57.07 56.44 3gfu s TYR 145 Cb 0.06 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 3gfu s TYR 145 CO 0.11 0.40 0.65 0.42 -1.57 0.00 0.00 175.55 175.56 3gfu s ILE 146 N -1.17 5.04 0.25 2.71 1.01 -1.26 -3.98 121.20 123.80 3gfu s ILE 146 Ca 0.20 1.27 0.11 0.00 0.00 0.00 0.00 60.65 62.23 3gfu s ILE 146 Cb -0.11 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 3gfu s ILE 146 CO 0.12 0.17 -0.12 -0.36 0.00 0.00 0.00 174.94 174.75 3gfu s PHE 147 N 1.43 2.48 -0.30 3.97 0.08 0.63 -4.98 117.98 121.28 3gfu s PHE 147 Ca 0.32 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 57.11 3gfu s PHE 147 Cb -0.16 -1.12 0.07 0.00 -0.57 0.00 0.00 43.02 41.24 3gfu s PHE 147 CO 0.13 0.64 -0.02 0.00 -0.10 0.00 0.00 175.22 175.87 3gfu s ALA 148 N -2.26 2.76 -0.23 5.36 0.00 -1.26 -0.67 121.76 125.46 3gfu s ALA 148 Ca 0.29 -2.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.16 3gfu s ALA 148 Cb -0.06 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 3gfu s ALA 148 CO 0.16 -1.39 0.03 0.42 0.00 0.00 0.00 175.76 174.98 3gfu s ILE 149 N 1.09 3.99 -0.05 0.00 1.09 0.38 -1.89 121.20 125.81 3gfu s ILE 149 Ca -0.02 -0.29 0.10 0.00 -1.10 0.00 0.00 60.65 59.35 3gfu s ILE 149 Cb -0.20 -2.84 -0.23 0.00 -1.06 0.00 0.00 42.46 38.12 3gfu s ILE 149 CO -0.05 0.38 0.64 1.23 -0.10 0.00 0.00 174.94 177.04 3gfu h GLY 150 N 8.03 0.04 -5.03 6.18 0.00 -1.62 -3.36 103.07 107.32 3gfu h GLY 150 Ca -0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3gfu h GLY 150 CO 0.59 0.10 0.08 -0.45 0.00 0.00 0.00 176.54 176.86 3gfu s SER 151 N -6.24 -0.77 -0.15 0.19 0.15 -1.25 -5.00 113.70 100.64 3gfu s SER 151 Ca -0.07 1.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.98 3gfu s SER 151 Cb 0.08 1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 65.77 3gfu s SER 151 CO 0.82 -0.24 -0.10 -0.76 1.20 0.00 0.00 173.24 174.16 3gfu s LEU 152 N 0.65 2.84 -0.10 3.45 1.43 -1.26 -1.04 118.68 124.65 3gfu s LEU 152 Ca -0.02 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3gfu s LEU 152 Cb -0.05 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3gfu s LEU 152 CO -0.04 0.13 -0.16 -0.76 0.23 0.00 0.00 176.35 175.76 3gfu s LEU 153 N 0.57 2.60 0.00 1.79 1.02 -0.58 0.77 118.68 124.86 3gfu s LEU 153 Ca -0.06 -0.33 -0.09 0.00 0.02 0.00 0.00 54.13 53.67 3gfu s LEU 153 Cb -0.15 -1.55 0.12 0.00 0.02 0.00 0.00 46.19 44.63 3gfu s LEU 153 CO 0.03 0.22 0.60 -0.90 0.02 0.00 0.00 176.35 176.32 3gfu n ASP 154 N 3.14 -0.49 0.00 2.29 5.68 0.02 -0.74 116.55 126.46 3gfu n ASP 154 Ca -0.18 -1.09 0.06 0.00 -0.50 0.00 0.00 54.79 53.08 3gfu n ASP 154 Cb 0.53 -0.48 0.36 0.00 -1.14 0.00 0.00 41.12 40.38 3gfu n ASP 154 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gfu n GLY 155 N 0.23 -0.43 0.13 6.12 0.00 -1.25 -3.87 105.19 106.11 3gfu n GLY 155 Ca 0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3gfu n GLY 155 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gfu h ASN 156 N 0.00 0.36 -3.50 1.61 2.35 -1.95 -3.48 115.58 110.97 3gfu h ASN 156 Ca 0.00 -0.87 -0.60 0.00 -0.55 0.00 0.00 56.30 54.28 3gfu h ASN 156 Cb 0.02 -0.12 -0.38 0.00 0.05 0.00 0.00 38.32 37.89 3gfu h ASN 156 CO 0.00 1.78 -0.79 -0.83 -1.65 0.00 0.00 177.43 175.94 3gfu s GLY 157 N -5.39 1.19 0.70 2.83 0.00 -1.25 -5.19 107.32 100.21 3gfu s GLY 157 Ca -0.23 -1.18 -0.09 0.00 0.00 0.00 0.00 44.72 43.22 3gfu s GLY 157 CO 0.75 0.89 1.05 1.25 0.00 0.00 0.00 173.10 177.04 3gfu s LYS 158 N 1.46 2.57 0.21 2.90 2.20 -1.26 -4.61 119.74 123.22 3gfu s LYS 158 Ca -0.03 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 3gfu s LYS 158 Cb -0.17 -2.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.96 3gfu s LYS 158 CO -0.07 -1.10 1.37 0.21 -0.36 0.00 0.00 175.35 175.39 3gfu s LYS 159 N -5.29 4.33 -0.10 4.03 2.20 -1.26 -0.80 119.74 122.85 3gfu s LYS 159 Ca 0.58 2.16 -0.16 0.00 -0.36 0.00 0.00 55.97 58.19 3gfu s LYS 159 Cb -0.11 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3gfu s LYS 159 CO 0.48 -0.33 0.41 0.42 -0.36 0.00 0.00 175.35 175.97 3gfu s ILE 160 N 0.13 5.18 0.24 5.43 1.01 0.23 -4.85 121.20 128.57 3gfu s ILE 160 Ca 0.58 0.81 -0.29 0.00 0.00 0.00 0.00 60.65 61.75 3gfu s ILE 160 Cb -0.39 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 3gfu s ILE 160 CO 0.40 0.41 0.92 0.00 0.00 0.00 0.00 174.94 176.66 3gfu s ALA 161 N 0.12 3.33 0.02 9.38 0.00 -1.26 -4.45 121.76 128.90 3gfu s ALA 161 Ca 0.23 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.80 3gfu s ALA 161 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3gfu s ALA 161 CO 0.09 0.22 -0.14 0.95 0.00 0.00 0.00 175.76 176.88 3gfu s THR 162 N -1.26 1.14 1.02 0.00 -4.23 -1.26 -4.66 115.64 106.39 3gfu s THR 162 Ca 0.42 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 59.91 3gfu s THR 162 Cb -0.24 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 72.81 3gfu s THR 162 CO 0.30 0.13 1.23 1.51 -0.54 0.00 0.00 174.62 177.24 3gfu s ASP 163 N -0.84 2.57 0.26 3.99 1.47 -1.26 -4.72 116.67 118.14 3gfu s ASP 163 Ca 0.03 0.50 -0.03 0.00 1.18 0.00 0.00 52.55 54.23 3gfu s ASP 163 Cb -0.07 -0.69 0.42 0.00 -0.34 0.00 0.00 42.92 42.23 3gfu s ASP 163 CO 0.01 -3.09 1.84 -1.13 0.68 0.00 0.00 175.17 173.48 3gfu h ASN 164 N -1.88 0.87 -0.02 2.11 -1.24 -2.01 0.44 115.58 113.85 3gfu h ASN 164 Ca -0.45 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 56.49 3gfu h ASN 164 Cb 1.27 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 3gfu h ASN 164 CO 0.41 0.52 -0.29 1.23 -1.29 0.00 0.00 177.43 178.02 3gfu h GLY 165 N 0.98 0.50 1.31 1.57 0.00 -2.00 -2.17 103.07 103.26 3gfu h GLY 165 Ca 0.42 -0.42 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 3gfu h GLY 165 CO -0.21 0.38 -1.24 -0.84 0.00 0.00 0.00 176.54 174.63 3gfu h THR 166 N 0.40 1.32 -0.97 4.70 2.02 -1.78 -3.01 112.91 115.58 3gfu h THR 166 Ca 0.05 -2.54 0.01 0.00 0.77 0.00 0.00 66.41 64.70 3gfu h THR 166 Cb 0.71 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.79 3gfu h THR 166 CO 0.05 0.77 0.63 0.74 0.37 0.00 0.00 175.52 178.09 3gfu h THR 167 N 0.24 1.25 -0.12 3.16 2.02 -0.76 -1.33 112.91 117.38 3gfu h THR 167 Ca -0.18 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 3gfu h THR 167 Cb 1.91 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3gfu h THR 167 CO 0.23 0.25 -0.07 -0.61 0.37 0.00 0.00 175.52 175.69 3gfu h GLN 168 N 1.32 0.26 -0.93 6.66 5.75 -1.45 -2.63 115.11 124.09 3gfu h GLN 168 Ca 0.35 -0.12 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 3gfu h GLN 168 Cb -0.13 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.35 3gfu h GLN 168 CO -0.07 0.61 0.59 0.87 -2.65 0.00 0.00 178.83 178.18 3gfu h LYS 169 N -0.10 1.05 0.00 1.69 1.57 -1.38 -1.46 116.57 117.93 3gfu h LYS 169 Ca 0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3gfu h LYS 169 Cb 0.54 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3gfu h LYS 169 CO 0.02 0.69 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.39 3gfu h LEU 170 N 1.08 0.00 -0.18 2.94 3.38 -1.15 -1.91 115.31 119.47 3gfu h LEU 170 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3gfu h LEU 170 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gfu h LEU 170 CO -0.17 0.13 0.00 0.18 0.09 0.00 0.00 178.44 178.67 3gfu n LEU 171 N -3.49 0.42 -2.58 1.67 4.77 -0.56 -0.47 117.00 116.76 3gfu n LEU 171 Ca -0.01 0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 3gfu n LEU 171 Cb 0.28 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3gfu n LEU 171 CO 0.30 -0.25 0.01 0.23 -1.33 0.00 0.00 177.39 176.35 3gfu n MET 172 N -1.92 2.09 -2.46 3.23 2.81 -0.76 -4.38 117.12 115.73 3gfu n MET 172 Ca 0.05 -3.75 -0.39 0.00 -1.81 0.00 0.00 57.70 51.79 3gfu n MET 172 Cb 0.31 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -3.33 2.30 0.33 2.03 5.36 0.16 -4.93 117.98 119.89 3gfu s PHE 173 Ca 0.35 -0.29 -0.21 0.00 -0.96 0.00 0.00 56.93 55.83 3gfu s PHE 173 Cb 0.43 -4.56 -0.10 0.00 -0.34 0.00 0.00 43.02 38.45 3gfu s PHE 173 CO -0.05 -2.00 0.85 -1.64 -1.46 0.00 0.00 175.22 170.92 3gfu s MET 174 N 5.61 4.28 -0.17 10.12 -1.94 -1.26 -0.27 119.30 135.67 3gfu s MET 174 Ca 0.46 1.02 -0.41 0.00 -1.71 0.00 0.00 55.69 55.05 3gfu s MET 174 Cb -0.04 -2.58 -0.18 0.00 2.01 0.00 0.00 34.83 34.04 3gfu s MET 174 CO 0.02 0.20 1.46 -2.30 -0.01 0.00 0.00 175.02 174.39 3gfu n PRO 175 N 0.09 0.64 -0.16 2.03 -0.02 -1.26 0.02 135.00 136.34 3gfu n PRO 175 Ca 0.03 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3gfu n PRO 175 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 3.13 1.76 3.77 -1.23 0.00 0.13 -5.00 105.19 107.75 3gfu n GLY 176 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3gfu n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gfu s ASP 177 N -3.28 5.41 -0.10 1.61 1.01 0.10 -4.79 116.67 116.64 3gfu s ASP 177 Ca 0.00 2.05 0.00 0.00 0.71 0.00 0.00 52.55 55.31 3gfu s ASP 177 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3gfu s ASP 177 CO 0.00 -1.43 -0.08 -1.83 0.21 0.00 0.00 175.17 172.04 3gfu s GLU 178 N -3.77 1.51 -0.18 8.23 -1.05 -1.26 -1.86 118.70 120.32 3gfu s GLU 178 Ca 0.69 -0.27 0.01 0.00 -0.15 0.00 0.00 54.97 55.25 3gfu s GLU 178 Cb -0.21 -1.51 0.03 0.00 -0.44 0.00 0.00 34.13 31.99 3gfu s GLU 178 CO 0.35 -0.21 -0.17 0.08 0.95 0.00 0.00 175.26 176.27 3gfu s VAL 179 N 1.49 1.89 0.09 1.83 1.01 0.21 -4.91 120.40 122.01 3gfu s VAL 179 Ca 0.01 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 3gfu s VAL 179 Cb -0.13 -1.77 -0.10 0.00 0.00 0.00 0.00 36.38 34.38 3gfu s VAL 179 CO -0.06 0.45 1.91 1.67 0.00 0.00 0.00 175.10 179.07 3gfu n GLN 180 N 4.66 2.86 -4.64 2.72 7.27 -1.26 -0.89 117.38 128.09 3gfu n GLN 180 Ca -0.19 1.04 -0.26 0.00 0.07 0.00 0.00 57.00 57.67 3gfu n GLN 180 Cb 0.49 -2.97 -0.14 0.00 2.41 0.00 0.00 30.24 30.03 3gfu n GLN 180 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3gfu s VAL 181 N 3.54 1.69 -0.71 1.69 -7.23 -0.28 -4.92 120.40 114.18 3gfu s VAL 181 Ca 0.85 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.83 3gfu s VAL 181 Cb -0.45 -1.47 0.34 0.00 0.56 0.00 0.00 36.38 35.36 3gfu s VAL 181 CO 0.39 0.20 1.30 0.29 -0.31 0.00 0.00 175.10 176.97 3gfu n LYS 182 N 1.81 3.87 -3.63 4.82 5.02 -1.26 -4.28 118.16 124.51 3gfu n LYS 182 Ca -0.17 -4.67 -0.00 0.00 -2.02 0.00 0.00 58.31 51.44 3gfu n LYS 182 Cb 0.53 -2.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.22 3gfu n LYS 182 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gfu s GLY 183 N -2.71 -0.38 -1.17 0.72 0.00 -1.26 -4.92 107.32 97.60 3gfu s GLY 183 Ca 0.46 0.73 -0.19 0.00 0.00 0.00 0.00 44.72 45.73 3gfu s GLY 183 CO -0.16 0.16 1.54 0.21 0.00 0.00 0.00 173.10 174.85 3gfu s ASN 184 N -2.87 6.78 0.22 1.64 3.04 -1.26 -4.99 114.94 117.51 3gfu s ASN 184 Ca 0.13 -2.26 -0.31 0.00 0.04 0.00 0.00 52.86 50.46 3gfu s ASN 184 Cb 0.03 -2.52 -0.11 0.00 -1.54 0.00 0.00 41.25 37.11 3gfu s ASN 184 CO -0.03 -1.16 1.62 -0.69 -3.04 0.00 0.00 177.10 173.79 3gfu s VAL 185 N 3.74 2.26 -0.05 -5.21 1.01 -1.26 -3.96 120.40 116.93 3gfu s VAL 185 Ca 0.48 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.69 3gfu s VAL 185 Cb 0.01 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3gfu s VAL 185 CO 0.00 0.02 0.00 0.52 0.00 0.00 0.00 175.10 175.65 3gfu n VAL 186 N 3.30 0.34 -4.12 2.92 0.31 0.08 -4.94 118.33 116.23 3gfu n VAL 186 Ca 0.12 -0.19 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 3gfu n VAL 186 Cb 0.37 -0.84 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 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 -2.12 0.69 0.02 5.55 1.02 -0.99 -2.07 119.74 121.84 3gfu s LYS 187 Ca -0.03 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.71 3gfu s LYS 187 Cb 0.02 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 3gfu s LYS 187 CO 0.19 -0.08 -0.07 0.14 -0.92 0.00 0.00 175.35 174.61 3gfu s VAL 188 N -3.81 0.50 -0.01 3.17 -7.23 -0.03 -1.52 120.40 111.46 3gfu s VAL 188 Ca 0.09 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.38 3gfu s VAL 188 Cb 0.07 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.45 3gfu s VAL 188 CO -0.08 -0.15 0.49 -1.81 -0.31 0.00 0.00 175.10 173.24 3gfu s ASP 189 N -0.93 6.87 -0.05 4.85 1.01 -0.20 -0.73 116.67 127.49 3gfu s ASP 189 Ca -0.04 1.03 -0.13 0.00 0.71 0.00 0.00 52.55 54.12 3gfu s ASP 189 Cb -0.06 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.58 3gfu s ASP 189 CO 0.00 0.20 0.30 -0.55 0.21 0.00 0.00 175.17 175.32 3gfu s SER 190 N -0.51 -0.21 -0.14 0.27 0.15 0.14 -1.70 113.70 111.69 3gfu s SER 190 Ca 0.27 0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.90 3gfu s SER 190 Cb -0.17 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 3gfu s SER 190 CO 0.15 -0.33 0.81 -0.76 1.20 0.00 0.00 173.24 174.30 3gfu s LEU 191 N -0.86 4.21 0.00 3.45 1.43 -0.79 -0.65 118.68 125.46 3gfu s LEU 191 Ca -0.09 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 3gfu s LEU 191 Cb -0.05 -3.22 0.16 0.00 0.03 0.00 0.00 46.19 43.12 3gfu s LEU 191 CO 0.03 -0.34 0.96 -0.46 0.23 0.00 0.00 176.35 176.77 3gfu n ASN 192 N 4.89 0.21 -0.18 2.29 0.23 -0.53 -4.61 115.26 117.56 3gfu n ASN 192 Ca 0.03 -1.43 0.30 0.00 -0.53 0.00 0.00 54.58 52.95 3gfu n ASN 192 Cb 0.49 -0.72 0.70 0.00 -2.08 0.00 0.00 39.78 38.17 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 -1.19 0.00 -0.42 0.53 5.19 -1.97 0.17 116.42 118.74 3gfu h ASP 193 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3gfu h ASP 193 Cb 0.89 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.40 3gfu h ASP 193 CO 0.23 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 175.13 3gfu n TYR 194 N -3.87 1.49 -2.00 4.55 4.01 -1.26 -4.73 117.16 115.35 3gfu n TYR 194 Ca 0.20 -0.80 -0.15 0.00 -0.16 0.00 0.00 57.90 56.98 3gfu n TYR 194 Cb 1.11 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 39.71 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 0.06 0.35 3.74 2.72 0.00 0.60 -4.77 105.19 107.88 3gfu n GLY 195 Ca 0.24 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.26 4.25 -0.19 1.61 2.02 -1.26 -4.79 118.70 116.07 3gfu s GLU 196 Ca 0.00 0.26 -0.29 0.00 0.02 0.00 0.00 54.97 54.96 3gfu s GLU 196 Cb 0.00 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 3gfu s GLU 196 CO 0.00 0.25 1.32 -0.51 0.02 0.00 0.00 175.26 176.34 3gfu s LEU 197 N 0.38 4.10 0.21 1.80 1.43 -1.26 -1.45 118.68 123.89 3gfu s LEU 197 Ca 0.21 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 3gfu s LEU 197 Cb -0.14 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3gfu s LEU 197 CO 0.07 -0.88 -0.11 -1.10 0.23 0.00 0.00 176.35 174.56 3gfu s GLN 198 N 3.78 1.30 -0.13 1.70 -0.21 0.18 -4.84 119.66 121.44 3gfu s GLN 198 Ca 0.57 -1.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.31 3gfu s GLN 198 Cb -0.21 -0.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.79 3gfu s GLN 198 CO 0.19 0.11 0.05 0.99 -2.12 0.00 0.00 175.29 174.51 3gfu s THR 199 N -3.10 4.71 0.01 -0.19 2.01 -1.26 0.24 115.64 118.06 3gfu s THR 199 Ca 0.23 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.17 3gfu s THR 199 Cb 0.01 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 3gfu s THR 199 CO 0.06 0.56 -0.07 0.26 -0.69 0.00 0.00 174.62 174.74 3gfu s TRP 200 N -0.48 0.66 -0.18 4.92 0.52 0.10 -4.96 118.94 119.51 3gfu s TRP 200 Ca 0.10 -0.20 -0.18 0.00 0.02 0.00 0.00 56.10 55.83 3gfu s TRP 200 Cb -0.12 -0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.75 3gfu s TRP 200 CO 0.02 -0.02 0.51 0.99 0.02 0.00 0.00 176.95 178.47 3gfu s THR 201 N -0.43 5.12 0.71 2.01 2.01 -1.26 -0.85 115.64 122.94 3gfu s THR 201 Ca 0.00 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 62.94 3gfu s THR 201 Cb -0.04 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.75 3gfu s THR 201 CO -0.00 0.21 0.98 0.27 -0.69 0.00 0.00 174.62 175.38 3gfu s ILE 202 N 1.43 2.19 -0.66 1.82 -4.36 -0.88 -4.25 121.20 116.49 3gfu s ILE 202 Ca 0.24 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.04 3gfu s ILE 202 Cb -0.15 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.96 3gfu s ILE 202 CO 0.10 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.87 3gfu n ASN 203 N -2.80 -4.78 -0.08 4.36 3.02 0.08 -4.86 115.26 110.21 3gfu n ASN 203 Ca 0.14 0.15 -0.19 0.00 -0.03 0.00 0.00 54.58 54.65 3gfu n ASN 203 Cb 0.60 -2.83 -0.12 0.00 -0.61 0.00 0.00 39.78 36.82 3gfu n ASN 203 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gfu h LYS 204 N 0.19 0.03 -6.37 3.52 1.57 -1.52 -3.49 116.57 110.50 3gfu h LYS 204 Ca -0.13 -0.06 -0.43 0.00 -1.87 0.00 0.00 60.65 58.16 3gfu h LYS 204 Cb 0.75 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.09 3gfu h LYS 204 CO 0.19 1.03 -0.31 0.15 -0.57 0.00 0.00 179.45 179.94 3gfu s LYS 205 N -2.33 2.99 0.02 3.15 -0.14 -0.66 -5.02 119.74 117.75 3gfu s LYS 205 Ca -0.24 -1.11 -0.32 0.00 -1.36 0.00 0.00 55.97 52.93 3gfu s LYS 205 Cb 0.03 -2.79 -0.11 0.00 -1.68 0.00 0.00 37.83 33.27 3gfu s LYS 205 CO 0.65 -0.08 1.86 1.17 -0.76 0.00 0.00 175.35 178.20 3gfu n LYS 206 N -1.73 2.48 -1.89 1.68 4.81 -1.26 -4.70 118.16 117.55 3gfu n LYS 206 Ca 0.03 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.96 3gfu n LYS 206 Cb 0.58 -2.78 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 3gfu n LYS 206 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3gfu s PRO 207 N 3.53 4.20 -0.06 1.64 0.02 -1.26 -4.90 135.00 138.17 3gfu s PRO 207 Ca 0.88 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 64.02 3gfu s PRO 207 Cb -0.58 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.76 3gfu s PRO 207 CO 0.45 -0.61 1.64 0.00 -0.33 0.00 0.00 177.00 178.14 3gfu s ALA 208 N 0.94 3.62 0.09 -1.55 0.00 0.39 -4.91 121.76 120.34 3gfu s ALA 208 Ca 0.69 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 53.41 3gfu s ALA 208 Cb -0.45 -3.74 -0.09 0.00 0.00 0.00 0.00 23.12 18.85 3gfu s ALA 208 CO 0.34 -1.38 1.44 0.00 0.00 0.00 0.00 175.76 176.17 3gfu h ALA 209 N 9.44 0.38 0.00 0.00 0.00 -1.92 -2.77 119.26 124.40 3gfu h ALA 209 Ca -0.39 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3gfu h ALA 209 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gfu h ALA 209 CO 0.95 0.27 0.00 -2.30 0.00 0.00 0.00 179.25 178.17 3gfu n PRO 210 N -4.43 0.00 0.00 0.00 -0.02 -1.26 -5.15 135.00 124.14 3gfu n PRO 210 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3gfu n PRO 210 Cb 0.37 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3gfu n PRO 210 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87