#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bfu s THR 5 N 0.00 3.42 -0.12 3.15 2.01 -1.26 -4.67 115.64 118.17 3bfu s THR 5 Ca 0.00 1.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 3bfu s THR 5 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3bfu s THR 5 CO 0.00 0.07 1.02 -0.69 -0.69 0.00 0.00 174.62 174.33 3bfu s VAL 6 N 1.21 4.75 -0.35 3.82 1.01 0.79 -4.88 120.40 126.75 3bfu s VAL 6 Ca 0.64 2.02 -0.25 0.00 0.00 0.00 0.00 61.98 64.40 3bfu s VAL 6 Cb -0.36 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.73 3bfu s VAL 6 CO 0.30 -0.02 0.86 -0.69 0.00 0.00 0.00 175.10 175.54 3bfu s VAL 7 N 2.17 4.68 -0.29 2.92 1.01 -1.26 -0.98 120.40 128.65 3bfu s VAL 7 Ca 0.48 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.49 3bfu s VAL 7 Cb -0.18 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3bfu s VAL 7 CO 0.17 -0.42 0.17 -0.69 0.00 0.00 0.00 175.10 174.32 3bfu s VAL 8 N 3.23 4.94 -0.04 2.92 1.01 -0.48 -0.85 120.40 131.13 3bfu s VAL 8 Ca 0.35 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 3bfu s VAL 8 Cb -0.13 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3bfu s VAL 8 CO 0.16 0.17 0.44 0.28 0.00 0.00 0.00 175.10 176.15 3bfu s THR 9 N 1.69 5.07 0.36 3.92 -1.32 -0.04 -0.16 115.64 125.16 3bfu s THR 9 Ca 0.06 0.89 -0.02 0.00 -1.21 0.00 0.00 61.69 61.41 3bfu s THR 9 Cb -0.16 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 3bfu s THR 9 CO 0.08 0.48 0.49 0.28 -2.21 0.00 0.00 174.62 173.75 3bfu s THR 10 N -0.44 0.00 0.04 5.08 -1.32 -0.69 -2.26 115.64 116.04 3bfu s THR 10 Ca 0.24 -1.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.17 3bfu s THR 10 Cb -0.16 -2.68 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 3bfu s THR 10 CO 0.12 0.00 -0.11 -0.51 -2.21 0.00 0.00 174.62 171.91 3bfu s ILE 11 N -2.94 0.88 -0.95 5.08 2.07 -1.26 -0.16 121.20 123.92 3bfu s ILE 11 Ca 0.31 -1.00 -0.24 0.00 -1.41 0.00 0.00 60.65 58.31 3bfu s ILE 11 Cb -0.01 -0.84 0.04 0.00 0.13 0.00 0.00 42.46 41.78 3bfu s ILE 11 CO 0.21 -0.13 1.46 -0.76 -1.91 0.00 0.00 174.94 173.81 3bfu s LEU 12 N -1.27 3.41 -0.11 8.50 1.43 -1.26 -4.32 118.68 125.05 3bfu s LEU 12 Ca -0.02 -1.18 -0.03 0.00 -1.03 0.00 0.00 54.13 51.87 3bfu s LEU 12 Cb -0.08 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.62 3bfu s LEU 12 CO 0.01 -1.68 0.06 -0.70 0.23 0.00 0.00 176.35 174.28 3bfu s GLU 13 N 5.30 0.14 0.33 1.70 2.56 -0.84 -4.99 118.70 122.91 3bfu s GLU 13 Ca 0.46 0.07 -0.28 0.00 0.00 0.00 0.00 54.97 55.22 3bfu s GLU 13 Cb -0.02 -1.29 -0.10 0.00 2.00 0.00 0.00 34.13 34.72 3bfu s GLU 13 CO -0.04 -0.50 1.22 -1.12 -0.56 0.00 0.00 175.26 174.25 3bfu s SER 14 N 2.10 6.85 -0.25 -1.70 0.01 -1.26 -0.64 113.70 118.81 3bfu s SER 14 Ca 0.03 2.49 0.13 0.00 1.31 0.00 0.00 55.95 59.92 3bfu s SER 14 Cb -0.14 -2.63 0.82 0.00 0.21 0.00 0.00 66.02 64.27 3bfu s SER 14 CO -0.06 -0.46 1.77 -0.81 0.41 0.00 0.00 173.24 174.09 3bfu n PRO 15 N 0.74 4.75 0.08 12.44 -0.04 -1.26 -4.91 135.00 146.79 3bfu n PRO 15 Ca 0.01 -3.16 -0.12 0.00 -0.04 0.00 0.00 63.50 60.18 3bfu n PRO 15 Cb 0.44 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.55 3bfu n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bfu h TYR 16 N 3.80 -0.22 -3.27 0.54 0.05 -1.21 0.67 116.97 117.33 3bfu h TYR 16 Ca 0.04 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.48 3bfu h TYR 16 Cb 2.05 0.07 -0.37 0.00 1.01 0.00 0.00 36.73 39.49 3bfu h TYR 16 CO 1.13 0.18 -0.70 0.08 -1.05 0.00 0.00 178.16 177.80 3bfu s VAL 17 N -4.20 -0.14 0.03 -2.88 1.01 -0.71 -0.60 120.40 112.90 3bfu s VAL 17 Ca -0.14 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3bfu s VAL 17 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 3bfu s VAL 17 CO 0.56 0.15 -0.04 -0.04 0.00 0.00 0.00 175.10 175.73 3bfu s MET 18 N 2.00 0.37 0.08 2.72 -1.94 0.34 -1.99 119.30 120.88 3bfu s MET 18 Ca 0.02 -0.63 -0.31 0.00 -1.71 0.00 0.00 55.69 53.06 3bfu s MET 18 Cb -0.12 -0.03 -0.06 0.00 2.01 0.00 0.00 34.83 36.63 3bfu s MET 18 CO -0.04 -0.02 1.20 -1.64 -0.01 0.00 0.00 175.02 174.52 3bfu s MET 19 N -1.43 4.44 0.70 2.03 -1.94 -1.26 -1.21 119.30 120.63 3bfu s MET 19 Ca -0.13 1.79 -0.15 0.00 -1.71 0.00 0.00 55.69 55.48 3bfu s MET 19 Cb -0.10 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.44 3bfu s MET 19 CO -0.01 -0.23 1.18 0.15 -0.01 0.00 0.00 175.02 176.10 3bfu s LYS 20 N 0.88 2.37 0.18 2.03 1.02 -0.22 -4.88 119.74 121.12 3bfu s LYS 20 Ca 0.58 1.67 -0.15 0.00 0.02 0.00 0.00 55.97 58.08 3bfu s LYS 20 Cb -0.30 -1.87 0.16 0.00 -0.52 0.00 0.00 37.83 35.30 3bfu s LYS 20 CO 0.30 -1.64 1.66 -0.22 -0.92 0.00 0.00 175.35 174.53 3bfu h LYS 21 N -0.13 0.03 -1.12 1.68 3.64 -1.94 -0.92 116.57 117.81 3bfu h LYS 21 Ca -0.48 -0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.41 3bfu h LYS 21 Cb 1.28 -0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.86 3bfu h LYS 21 CO 0.51 0.02 0.64 0.27 -2.27 0.00 0.00 179.45 178.62 3bfu n ASN 22 N -5.32 5.87 -0.08 4.20 6.94 -1.26 -4.66 115.26 120.96 3bfu n ASN 22 Ca 0.04 -3.43 0.13 0.00 -0.02 0.00 0.00 54.58 51.31 3bfu n ASN 22 Cb 0.26 -0.92 0.52 0.00 -2.36 0.00 0.00 39.78 37.28 3bfu n ASN 22 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3bfu h HIS 23 N 1.42 0.39 0.00 -2.53 2.07 -1.45 -1.61 115.15 113.46 3bfu h HIS 23 Ca 0.50 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.02 3bfu h HIS 23 Cb 1.47 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 31.32 3bfu h HIS 23 CO 1.23 0.18 -0.04 0.93 -3.07 0.00 0.00 177.93 177.16 3bfu h GLU 24 N 0.36 0.00 -0.02 5.12 5.08 -1.85 -1.48 114.58 121.80 3bfu h GLU 24 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3bfu h GLU 24 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3bfu h GLU 24 CO -0.08 0.04 -0.02 -1.33 -1.00 0.00 0.00 179.01 176.62 3bfu n MET 25 N -4.02 1.89 -3.89 2.33 2.81 -0.61 -4.95 117.12 110.67 3bfu n MET 25 Ca -0.03 -1.34 -0.21 0.00 -1.81 0.00 0.00 57.70 54.31 3bfu n MET 25 Cb 0.12 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.12 3bfu n MET 25 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bfu s LEU 26 N -2.03 3.60 0.13 4.03 1.43 -0.56 -5.14 118.68 120.15 3bfu s LEU 26 Ca 0.33 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3bfu s LEU 26 Cb 0.20 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3bfu s LEU 26 CO 0.33 -0.29 -0.20 -1.61 0.23 0.00 0.00 176.35 174.81 3bfu s GLU 27 N -3.95 1.22 2.67 1.70 2.02 -1.26 -4.79 118.70 116.30 3bfu s GLU 27 Ca 0.39 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.09 3bfu s GLU 27 Cb -0.06 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.75 3bfu s GLU 27 CO 0.26 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3bfu n GLY 28 N 0.72 2.56 0.29 -1.39 0.00 -1.26 -1.91 105.19 104.20 3bfu n GLY 28 Ca -0.17 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3bfu n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3bfu h ASN 29 N 1.31 0.00 0.30 1.61 2.35 -1.93 -2.45 115.58 116.77 3bfu h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bfu h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3bfu h ASN 29 CO 0.00 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.16 3bfu n GLU 30 N -4.22 0.04 0.21 0.81 -0.58 -0.80 -2.56 120.64 113.53 3bfu n GLU 30 Ca -0.01 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 57.11 3bfu n GLU 30 Cb 0.16 -1.50 0.31 0.00 -0.57 0.00 0.00 31.44 29.84 3bfu n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bfu h ARG 31 N 0.00 0.00 -6.27 3.49 3.08 -1.53 -3.45 114.38 109.70 3bfu h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3bfu h ARG 31 Cb 0.15 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.10 3bfu h ARG 31 CO 0.00 0.22 -0.64 0.71 -1.07 0.00 0.00 179.97 179.19 3bfu s TYR 32 N -3.38 2.80 0.05 3.04 2.02 -1.06 -1.06 117.35 119.77 3bfu s TYR 32 Ca 0.03 -0.17 -0.13 0.00 -0.37 0.00 0.00 57.07 56.42 3bfu s TYR 32 Cb 0.08 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 3bfu s TYR 32 CO 0.66 0.56 0.29 -1.83 -1.57 0.00 0.00 175.55 173.66 3bfu s GLU 33 N -3.34 0.82 0.00 -0.62 -1.05 -0.35 -4.84 118.70 109.32 3bfu s GLU 33 Ca 0.30 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 3bfu s GLU 33 Cb -0.08 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3bfu s GLU 33 CO 0.20 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.55 3bfu n GLY 34 N 0.49 0.75 0.18 -3.83 0.00 -1.26 -0.51 105.19 101.01 3bfu n GLY 34 Ca -0.18 -1.80 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 3bfu n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bfu h TYR 35 N 0.00 0.47 0.00 1.61 3.20 -0.14 -1.92 116.97 120.19 3bfu h TYR 35 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3bfu h TYR 35 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3bfu h TYR 35 CO 0.00 0.28 -0.18 0.00 -1.64 0.00 0.00 178.16 176.62 3bfu h VAL 37 N 0.00 1.29 -0.29 0.00 2.07 -1.47 0.34 116.25 118.19 3bfu h VAL 37 Ca -0.00 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 65.72 3bfu h VAL 37 Cb 0.91 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3bfu h VAL 37 CO 0.02 0.53 -0.43 0.44 0.02 0.00 0.00 177.57 178.16 3bfu h ASP 38 N 0.57 0.87 -0.68 0.57 3.32 -1.23 -2.61 116.42 117.23 3bfu h ASP 38 Ca 0.02 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3bfu h ASP 38 Cb 1.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 3bfu h ASP 38 CO 0.10 1.21 0.37 0.25 -1.72 0.00 0.00 179.24 179.45 3bfu h LEU 39 N 0.55 0.85 -0.67 1.55 5.85 -1.02 -1.61 115.31 120.82 3bfu h LEU 39 Ca 0.03 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3bfu h LEU 39 Cb 1.03 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3bfu h LEU 39 CO 0.10 0.71 0.41 0.00 -0.34 0.00 0.00 178.44 179.32 3bfu h ALA 40 N 1.18 0.85 -0.85 1.25 0.00 -0.90 -0.13 119.26 120.66 3bfu h ALA 40 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3bfu h ALA 40 Cb 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3bfu h ALA 40 CO -0.04 0.32 0.47 0.00 0.00 0.00 0.00 179.25 180.00 3bfu h ALA 41 N 1.21 1.09 -0.37 0.00 0.00 -1.05 -0.73 119.26 119.41 3bfu h ALA 41 Ca 0.24 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3bfu h ALA 41 Cb -0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3bfu h ALA 41 CO -0.05 0.60 -0.41 0.93 0.00 0.00 0.00 179.25 180.33 3bfu h GLU 42 N 1.19 0.93 -0.25 0.00 4.39 -0.84 -2.00 114.58 118.01 3bfu h GLU 42 Ca 0.30 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 3bfu h GLU 42 Cb 0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3bfu h GLU 42 CO -0.05 1.16 0.02 0.82 -1.16 0.00 0.00 179.01 179.80 3bfu h ILE 43 N 0.75 1.25 -0.92 3.13 2.04 -0.81 -1.81 117.51 121.14 3bfu h ILE 43 Ca 0.05 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3bfu h ILE 43 Cb 1.01 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3bfu h ILE 43 CO 0.10 0.27 0.54 0.00 0.00 0.00 0.00 178.15 179.06 3bfu h ALA 44 N 0.83 1.17 -0.35 1.87 0.00 -1.13 0.19 119.26 121.82 3bfu h ALA 44 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3bfu h ALA 44 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bfu h ALA 44 CO 0.01 0.64 0.05 -0.22 0.00 0.00 0.00 179.25 179.74 3bfu h LYS 45 N 1.27 0.59 -0.35 0.00 3.64 -1.27 0.48 116.57 120.93 3bfu h LYS 45 Ca 0.33 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 3bfu h LYS 45 Cb -0.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3bfu h LYS 45 CO -0.06 0.66 -0.35 0.45 -2.27 0.00 0.00 179.45 177.89 3bfu h HIS 46 N 0.43 0.93 0.00 1.91 3.86 -0.94 -3.09 115.15 118.24 3bfu h HIS 46 Ca 0.11 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3bfu h HIS 46 Cb 0.36 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3bfu h HIS 46 CO 0.02 1.02 -0.46 0.00 0.86 0.00 0.00 177.93 179.38 3bfu n GLY 48 N 1.38 0.23 3.15 0.00 0.00 0.16 -5.04 105.19 105.07 3bfu n GLY 48 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3bfu n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bfu s PHE 49 N -3.12 0.83 0.08 1.61 -0.12 -0.70 -5.04 117.98 111.52 3bfu s PHE 49 Ca 0.04 -0.87 -0.11 0.00 -0.05 0.00 0.00 56.93 55.94 3bfu s PHE 49 Cb -0.02 -0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 41.82 3bfu s PHE 49 CO 0.24 -0.16 0.42 0.15 -0.05 0.00 0.00 175.22 175.82 3bfu s LYS 50 N -3.56 3.79 0.08 1.99 1.02 -1.26 -4.66 119.74 117.14 3bfu s LYS 50 Ca 0.09 0.22 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 3bfu s LYS 50 Cb 0.04 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 3bfu s LYS 50 CO -0.05 0.56 0.05 1.52 -0.92 0.00 0.00 175.35 176.52 3bfu s TYR 51 N -1.39 0.46 -0.16 3.18 -0.85 -1.26 -0.15 117.35 117.19 3bfu s TYR 51 Ca 0.33 -0.95 -0.00 0.00 -0.52 0.00 0.00 57.07 55.93 3bfu s TYR 51 Cb -0.14 -0.30 0.04 0.00 0.38 0.00 0.00 41.96 41.94 3bfu s TYR 51 CO 0.18 -0.46 -0.06 0.21 -1.52 0.00 0.00 175.55 173.90 3bfu s LYS 52 N -3.92 1.51 0.06 -3.49 2.47 -0.16 -4.88 119.74 111.33 3bfu s LYS 52 Ca 0.09 -0.50 -0.30 0.00 -1.56 0.00 0.00 55.97 53.70 3bfu s LYS 52 Cb 0.07 -1.97 -0.05 0.00 -1.46 0.00 0.00 37.83 34.41 3bfu s LYS 52 CO -0.08 -0.40 1.15 -0.51 0.16 0.00 0.00 175.35 175.67 3bfu s LEU 53 N 1.62 4.38 -0.05 5.43 1.43 -1.26 -1.38 118.68 128.85 3bfu s LEU 53 Ca 0.01 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3bfu s LEU 53 Cb -0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.52 3bfu s LEU 53 CO -0.08 -0.41 -0.02 0.42 0.23 0.00 0.00 176.35 176.49 3bfu s THR 54 N 0.93 0.44 0.11 5.49 -4.23 0.78 -4.82 115.64 114.33 3bfu s THR 54 Ca 0.57 -0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.76 3bfu s THR 54 Cb -0.28 -0.52 -0.06 0.00 1.34 0.00 0.00 72.50 72.98 3bfu s THR 54 CO 0.30 0.23 1.15 -0.63 -0.54 0.00 0.00 174.62 175.12 3bfu s ILE 55 N 1.28 3.99 0.15 2.99 -1.09 -1.26 -1.71 121.20 125.55 3bfu s ILE 55 Ca -0.06 1.53 -0.34 0.00 -2.23 0.00 0.00 60.65 59.56 3bfu s ILE 55 Cb -0.14 -3.98 -0.14 0.00 -1.58 0.00 0.00 42.46 36.62 3bfu s ILE 55 CO -0.02 0.18 1.55 0.55 -1.23 0.00 0.00 174.94 175.97 3bfu n VAL 56 N 3.28 0.00 -0.20 2.92 3.14 0.77 -4.87 118.33 123.37 3bfu n VAL 56 Ca 0.06 -0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.45 3bfu n VAL 56 Cb 0.46 -1.46 0.11 0.00 -1.06 0.00 0.00 33.84 31.90 3bfu n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3bfu h GLY 57 N 5.78 0.74 -0.81 7.55 0.00 -1.92 -2.32 103.07 112.11 3bfu h GLY 57 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3bfu h GLY 57 CO 0.88 -0.15 0.00 2.09 0.00 0.00 0.00 176.54 179.36 3bfu n ASP 58 N -5.18 1.74 -1.35 0.19 5.68 -1.26 -4.94 116.55 111.43 3bfu n ASP 58 Ca 0.09 -1.66 -0.17 0.00 -0.50 0.00 0.00 54.79 52.55 3bfu n ASP 58 Cb 0.34 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.18 3bfu n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bfu n GLY 59 N 1.17 1.60 3.66 6.12 0.00 -0.87 -4.97 105.19 111.90 3bfu n GLY 59 Ca 0.17 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 3bfu n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bfu s LYS 60 N -3.52 2.35 -0.08 1.61 1.02 -1.26 -4.97 119.74 114.89 3bfu s LYS 60 Ca 0.00 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 54.35 3bfu s LYS 60 Cb 0.00 -2.20 -0.23 0.00 -0.52 0.00 0.00 37.83 34.88 3bfu s LYS 60 CO 0.00 0.37 1.02 1.88 -0.92 0.00 0.00 175.35 177.70 3bfu h TYR 61 N 1.91 0.03 0.00 3.18 0.05 -1.91 -2.15 116.97 118.08 3bfu h TYR 61 Ca -0.45 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3bfu h TYR 61 Cb 1.25 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3bfu h TYR 61 CO 0.67 0.77 0.00 0.41 -1.05 0.00 0.00 178.16 178.96 3bfu n GLY 62 N 0.93 3.16 3.19 3.88 0.00 -1.26 -1.58 105.19 113.51 3bfu n GLY 62 Ca -0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3bfu n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bfu s ALA 63 N 0.00 -0.49 -0.15 4.61 0.00 -1.24 -4.72 121.76 119.77 3bfu s ALA 63 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 3bfu s ALA 63 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3bfu s ALA 63 CO 0.00 -0.32 0.23 0.50 0.00 0.00 0.00 175.76 176.16 3bfu s ARG 64 N -2.12 4.04 0.31 0.00 3.52 -1.26 -1.18 118.95 122.26 3bfu s ARG 64 Ca -0.08 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.21 3bfu s ARG 64 Cb -0.03 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.90 3bfu s ARG 64 CO -0.01 0.41 1.20 0.34 -0.81 0.00 0.00 175.30 176.42 3bfu s ASP 65 N -0.01 7.02 0.07 -2.12 -1.08 -0.08 -4.91 116.67 115.56 3bfu s ASP 65 Ca 0.14 2.47 -0.35 0.00 -0.52 0.00 0.00 52.55 54.29 3bfu s ASP 65 Cb -0.13 -2.64 -0.19 0.00 -1.46 0.00 0.00 42.92 38.51 3bfu s ASP 65 CO 0.03 -0.34 1.59 0.00 0.52 0.00 0.00 175.17 176.98 3bfu h ALA 66 N 3.58 -1.13 -2.16 3.66 0.00 -1.97 -1.26 119.26 119.99 3bfu h ALA 66 Ca -0.48 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3bfu h ALA 66 Cb 1.22 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3bfu h ALA 66 CO 0.66 -1.14 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 3bfu n ASP 67 N -5.58 0.00 -0.14 0.00 8.00 -1.26 -4.16 116.55 113.41 3bfu n ASP 67 Ca -0.15 0.41 0.27 0.00 0.71 0.00 0.00 54.79 56.03 3bfu n ASP 67 Cb 0.46 -0.14 0.72 0.00 -0.02 0.00 0.00 41.12 42.13 3bfu n ASP 67 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3bfu h THR 68 N 0.00 0.59 -0.57 -3.53 2.02 -2.00 -3.45 112.91 105.98 3bfu h THR 68 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 3bfu h THR 68 Cb 0.00 0.59 -0.10 0.00 -1.74 0.00 0.00 68.15 66.91 3bfu h THR 68 CO 0.00 0.00 -0.22 0.29 0.37 0.00 0.00 175.52 175.96 3bfu n LYS 69 N -4.29 -0.97 -3.54 6.66 5.02 -0.48 -4.96 118.16 115.61 3bfu n LYS 69 Ca 0.16 0.90 -0.38 0.00 -2.02 0.00 0.00 58.31 56.97 3bfu n LYS 69 Cb 0.88 -4.95 -0.06 0.00 -0.02 0.00 0.00 35.03 30.88 3bfu n LYS 69 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bfu s ILE 70 N -2.37 5.07 -0.02 -0.18 1.01 -1.26 -4.66 121.20 118.79 3bfu s ILE 70 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 60.65 61.23 3bfu s ILE 70 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3bfu s ILE 70 CO 0.00 0.58 0.60 0.26 0.00 0.00 0.00 174.94 176.38 3bfu s TRP 71 N -1.07 3.65 0.14 3.97 0.52 -1.26 -0.90 118.94 123.99 3bfu s TRP 71 Ca 0.23 1.17 0.02 0.00 0.02 0.00 0.00 56.10 57.54 3bfu s TRP 71 Cb -0.16 -2.63 0.02 0.00 -1.15 0.00 0.00 33.47 29.54 3bfu s TRP 71 CO 0.12 0.30 0.13 0.27 0.02 0.00 0.00 176.95 177.79 3bfu n ASN 72 N 2.96 1.20 -0.11 2.95 0.23 -0.32 -4.22 115.26 117.96 3bfu n ASN 72 Ca -0.06 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 3bfu n ASN 72 Cb 0.51 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3bfu n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bfu n GLY 73 N 3.28 0.59 0.30 4.83 0.00 -1.26 -1.49 105.19 111.45 3bfu n GLY 73 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 3bfu n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3bfu h MET 74 N 0.00 0.73 -0.67 1.61 2.86 -0.59 -1.97 114.93 116.89 3bfu h MET 74 Ca 0.00 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3bfu h MET 74 Cb 0.00 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3bfu h MET 74 CO 0.00 0.62 0.43 0.28 1.06 0.00 0.00 176.91 179.30 3bfu h VAL 75 N 0.72 1.18 -0.41 -2.22 2.07 -1.55 -2.20 116.25 113.85 3bfu h VAL 75 Ca 0.17 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3bfu h VAL 75 Cb 0.17 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3bfu h VAL 75 CO -0.01 0.18 0.23 1.23 0.02 0.00 0.00 177.57 179.22 3bfu h GLY 76 N 0.91 0.61 0.39 2.17 0.00 -0.55 0.12 103.07 106.72 3bfu h GLY 76 Ca 0.25 -0.27 0.14 0.00 0.00 0.00 0.00 47.33 47.45 3bfu h GLY 76 CO -0.05 0.26 0.62 0.83 0.00 0.00 0.00 176.54 178.20 3bfu h GLU 77 N 0.54 0.87 -0.03 4.80 4.39 -0.94 0.38 114.58 124.59 3bfu h GLU 77 Ca 0.15 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 3bfu h GLU 77 Cb 0.04 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3bfu h GLU 77 CO -0.02 0.58 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.06 3bfu h LEU 78 N 0.90 0.30 -0.91 1.33 3.38 -0.92 0.49 115.31 119.88 3bfu h LEU 78 Ca 0.51 -0.70 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3bfu h LEU 78 Cb 0.62 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3bfu h LEU 78 CO -0.29 0.95 0.57 0.58 0.09 0.00 0.00 178.44 180.35 3bfu h VAL 79 N -0.34 1.05 -0.54 1.22 2.07 -0.26 -2.43 116.25 117.02 3bfu h VAL 79 Ca -0.03 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3bfu h VAL 79 Cb 0.97 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3bfu h VAL 79 CO 0.06 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.62 3bfu n TYR 80 N -4.58 1.00 -1.22 1.57 4.01 0.06 -4.95 117.16 113.04 3bfu n TYR 80 Ca 0.14 -0.43 -0.08 0.00 -0.16 0.00 0.00 57.90 57.37 3bfu n TYR 80 Cb 0.19 -0.12 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3bfu n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bfu n GLY 81 N 1.16 0.97 0.20 2.72 0.00 -0.92 -4.91 105.19 104.41 3bfu n GLY 81 Ca 0.20 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3bfu n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bfu h LYS 82 N 0.04 0.00 -4.29 1.61 1.79 -0.30 -3.46 116.57 111.96 3bfu h LYS 82 Ca -0.16 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.12 3bfu h LYS 82 Cb 0.53 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.99 3bfu h LYS 82 CO 0.23 0.03 -0.70 0.00 -1.08 0.00 0.00 179.45 177.93 3bfu s ALA 83 N -3.22 0.47 -0.13 3.86 0.00 -0.73 -4.98 121.76 117.02 3bfu s ALA 83 Ca 0.06 -0.92 0.20 0.00 0.00 0.00 0.00 51.96 51.29 3bfu s ALA 83 Cb 0.06 0.16 -0.18 0.00 0.00 0.00 0.00 23.12 23.16 3bfu s ALA 83 CO 0.69 -0.20 0.68 -0.25 0.00 0.00 0.00 175.76 176.68 3bfu n ASP 84 N 0.89 0.48 -3.52 0.00 8.00 -0.03 -4.45 116.55 117.92 3bfu n ASP 84 Ca -0.19 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 3bfu n ASP 84 Cb 0.58 0.92 -0.05 0.00 -0.02 0.00 0.00 41.12 42.55 3bfu n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bfu s ILE 85 N -3.18 0.00 -0.15 0.53 2.07 -1.06 -4.22 121.20 115.20 3bfu s ILE 85 Ca -0.05 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.20 3bfu s ILE 85 Cb 0.10 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.69 3bfu s ILE 85 CO 0.84 0.00 -0.17 0.00 -1.91 0.00 0.00 174.94 173.70 3bfu s ALA 86 N -1.53 2.43 -0.40 1.50 0.00 0.41 -0.86 121.76 123.32 3bfu s ALA 86 Ca -0.07 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3bfu s ALA 86 Cb -0.00 -1.16 0.12 0.00 0.00 0.00 0.00 23.12 22.07 3bfu s ALA 86 CO 0.05 -0.03 0.16 0.42 0.00 0.00 0.00 175.76 176.37 3bfu s ILE 87 N 0.81 1.65 0.27 0.00 1.01 -0.96 -1.96 121.20 122.02 3bfu s ILE 87 Ca -0.06 -2.33 -0.20 0.00 0.00 0.00 0.00 60.65 58.07 3bfu s ILE 87 Cb -0.15 -2.19 0.06 0.00 0.01 0.00 0.00 42.46 40.19 3bfu s ILE 87 CO -0.00 -0.75 0.91 0.00 0.00 0.00 0.00 174.94 175.09 3bfu s ALA 88 N 0.71 -1.21 -1.41 9.38 0.00 -1.26 -4.65 121.76 123.31 3bfu s ALA 88 Ca 0.14 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3bfu s ALA 88 Cb -0.22 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3bfu s ALA 88 CO -0.08 -1.03 2.52 -0.35 0.00 0.00 0.00 175.76 176.82 3bfu n PRO 89 N -0.60 3.03 -3.20 0.00 -0.04 -1.26 -4.67 135.00 128.26 3bfu n PRO 89 Ca -0.06 -2.22 -0.41 0.00 -0.04 0.00 0.00 63.50 60.77 3bfu n PRO 89 Cb 0.60 -2.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 3bfu n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3bfu s LEU 90 N 0.95 4.24 0.17 1.53 2.96 -1.26 -5.00 118.68 122.27 3bfu s LEU 90 Ca 0.57 0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.35 3bfu s LEU 90 Cb 0.15 -2.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.10 3bfu s LEU 90 CO -0.05 -0.46 1.28 -0.89 -1.32 0.00 0.00 176.35 174.91 3bfu s THR 91 N 2.46 3.38 -0.34 3.68 2.01 -1.26 -2.02 115.64 123.54 3bfu s THR 91 Ca 0.21 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 63.03 3bfu s THR 91 Cb -0.15 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.66 3bfu s THR 91 CO 0.13 0.15 1.29 -0.63 -0.69 0.00 0.00 174.62 174.87 3bfu s ILE 92 N 0.29 4.12 0.15 1.82 1.01 -0.37 -4.90 121.20 123.32 3bfu s ILE 92 Ca 0.57 1.24 0.05 0.00 0.00 0.00 0.00 60.65 62.51 3bfu s ILE 92 Cb -0.35 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 3bfu s ILE 92 CO 0.36 -0.58 -0.12 0.42 0.00 0.00 0.00 174.94 175.02 3bfu s THR 93 N 4.55 1.28 0.13 2.92 -4.23 -1.26 -4.74 115.64 114.29 3bfu s THR 93 Ca 0.56 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 3bfu s THR 93 Cb -0.15 -1.80 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 3bfu s THR 93 CO 0.25 -0.66 1.76 0.25 -0.54 0.00 0.00 174.62 175.68 3bfu h LEU 94 N 2.90 0.13 -1.45 4.79 5.85 -1.98 -0.47 115.31 125.09 3bfu h LEU 94 Ca -0.37 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3bfu h LEU 94 Cb 1.20 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3bfu h LEU 94 CO 0.61 0.10 0.31 -0.37 -0.34 0.00 0.00 178.44 178.75 3bfu h VAL 95 N 0.21 1.14 0.09 1.05 -1.51 -2.00 -2.05 116.25 113.17 3bfu h VAL 95 Ca 0.09 -0.31 -0.27 0.00 -1.23 0.00 0.00 66.70 64.99 3bfu h VAL 95 Cb 0.04 0.42 0.01 0.00 -2.13 0.00 0.00 31.29 29.63 3bfu h VAL 95 CO -0.08 0.15 -1.15 0.03 -1.23 0.00 0.00 177.57 175.29 3bfu h ARG 96 N 0.70 0.44 0.00 5.19 3.08 -1.89 -3.19 114.38 118.72 3bfu h ARG 96 Ca 0.19 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3bfu h ARG 96 Cb -0.04 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3bfu h ARG 96 CO -0.04 1.24 -0.03 1.49 -1.07 0.00 0.00 179.97 181.57 3bfu h GLU 97 N 0.20 0.00 0.00 0.04 4.57 -0.60 0.66 114.58 119.44 3bfu h GLU 97 Ca -0.14 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3bfu h GLU 97 Cb 1.82 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.41 3bfu h GLU 97 CO 0.20 0.03 -0.01 0.93 -1.18 0.00 0.00 179.01 178.98 3bfu h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.37 -3.35 114.58 116.86 3bfu h GLU 98 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3bfu h GLU 98 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3bfu h GLU 98 CO 0.00 0.01 -1.20 1.33 -1.00 0.00 0.00 179.01 178.15 3bfu n VAL 99 N -3.10 0.03 -4.22 3.13 0.24 -0.52 -5.07 118.33 108.82 3bfu n VAL 99 Ca 0.02 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 3bfu n VAL 99 Cb 0.42 0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.97 3bfu n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3bfu s ILE 100 N -2.27 0.39 0.10 1.34 -4.36 0.11 -4.16 121.20 112.34 3bfu s ILE 100 Ca -0.02 -1.96 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3bfu s ILE 100 Cb 0.03 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 3bfu s ILE 100 CO 0.17 -0.36 0.27 -1.81 0.24 0.00 0.00 174.94 173.46 3bfu s ASP 101 N -3.15 6.40 0.03 4.36 1.01 -0.46 -4.24 116.67 120.61 3bfu s ASP 101 Ca 0.27 0.36 0.05 0.00 0.71 0.00 0.00 52.55 53.94 3bfu s ASP 101 Cb 0.07 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 3bfu s ASP 101 CO 0.05 0.11 -0.14 -0.36 0.21 0.00 0.00 175.17 175.05 3bfu s PHE 102 N -1.59 1.21 0.76 4.23 0.08 -1.26 -1.76 117.98 119.65 3bfu s PHE 102 Ca 0.37 -0.34 -0.08 0.00 0.12 0.00 0.00 56.93 57.00 3bfu s PHE 102 Cb -0.12 -0.73 0.09 0.00 -0.57 0.00 0.00 43.02 41.68 3bfu s PHE 102 CO 0.27 0.03 1.09 -1.54 -0.10 0.00 0.00 175.22 174.96 3bfu s SER 103 N -1.02 4.51 0.75 1.36 1.04 -0.45 -4.94 113.70 114.95 3bfu s SER 103 Ca 0.02 0.45 -0.15 0.00 0.48 0.00 0.00 55.95 56.74 3bfu s SER 103 Cb -0.07 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.12 3bfu s SER 103 CO 0.01 -1.82 1.21 0.29 0.98 0.00 0.00 173.24 173.91 3bfu n LYS 104 N -3.10 0.52 -1.73 4.02 4.76 -1.26 -4.50 118.16 116.87 3bfu n LYS 104 Ca 0.09 0.25 -0.41 0.00 -2.87 0.00 0.00 58.31 55.37 3bfu n LYS 104 Cb 0.60 -2.45 0.01 0.00 -1.84 0.00 0.00 35.03 31.36 3bfu n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3bfu n PRO 105 N -2.67 2.18 0.00 1.97 -0.04 -1.26 -4.64 135.00 130.54 3bfu n PRO 105 Ca 0.14 0.77 0.09 0.00 -0.04 0.00 0.00 63.50 64.46 3bfu n PRO 105 Cb 0.49 -2.49 0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3bfu n PRO 105 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3bfu n PHE 106 N -0.01 0.00 -3.64 0.54 1.16 -0.09 -4.96 117.46 110.47 3bfu n PHE 106 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.53 3bfu n PHE 106 Cb 0.39 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.19 3bfu n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3bfu s MET 107 N -1.77 0.63 0.15 3.97 0.00 -1.25 -5.00 119.30 116.03 3bfu s MET 107 Ca 0.17 0.83 0.02 0.00 0.00 0.00 0.00 55.69 56.71 3bfu s MET 107 Cb 0.14 0.26 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 3bfu s MET 107 CO 0.34 -0.09 0.29 -1.12 0.00 0.00 0.00 175.02 174.44 3bfu s SER 108 N 0.64 6.35 0.28 1.11 0.01 -1.26 -1.21 113.70 119.62 3bfu s SER 108 Ca -0.01 0.21 -0.19 0.00 1.31 0.00 0.00 55.95 57.26 3bfu s SER 108 Cb -0.05 -1.93 0.06 0.00 0.21 0.00 0.00 66.02 64.32 3bfu s SER 108 CO -0.07 0.05 0.90 -1.48 0.41 0.00 0.00 173.24 173.05 3bfu s LEU 109 N -3.18 -0.02 -0.01 2.44 2.34 -0.36 -4.86 118.68 115.04 3bfu s LEU 109 Ca 0.35 -0.88 -0.28 0.00 0.06 0.00 0.00 54.13 53.38 3bfu s LEU 109 Cb -0.11 2.48 0.06 0.00 -0.56 0.00 0.00 46.19 48.06 3bfu s LEU 109 CO 0.29 -1.34 0.62 -0.83 -1.06 0.00 0.00 176.35 174.03 3bfu s GLY 110 N -3.20 -0.53 0.28 -3.48 0.00 -1.26 -1.29 107.32 97.83 3bfu s GLY 110 Ca 0.18 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 3bfu s GLY 110 CO 0.08 0.72 1.51 -0.42 0.00 0.00 0.00 173.10 175.00 3bfu s ILE 111 N -1.66 2.34 0.27 0.90 1.01 -1.26 0.57 121.20 123.37 3bfu s ILE 111 Ca -0.09 0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.87 3bfu s ILE 111 Cb -0.01 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 3bfu s ILE 111 CO 0.05 0.05 0.15 -0.94 0.00 0.00 0.00 174.94 174.25 3bfu s SER 112 N 0.38 1.05 -0.14 3.58 1.04 0.15 -0.38 113.70 119.38 3bfu s SER 112 Ca 0.61 -1.50 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 3bfu s SER 112 Cb -0.45 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 3bfu s SER 112 CO 0.47 -0.86 -0.07 -0.63 0.98 0.00 0.00 173.24 173.12 3bfu s ILE 113 N -3.79 3.57 -0.15 -1.02 1.01 -1.26 -1.57 121.20 117.99 3bfu s ILE 113 Ca 0.38 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3bfu s ILE 113 Cb 0.06 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3bfu s ILE 113 CO 0.16 0.52 -0.10 -0.32 0.00 0.00 0.00 174.94 175.20 3bfu s MET 114 N 0.22 3.41 0.19 2.79 -2.45 0.43 -1.96 119.30 121.94 3bfu s MET 114 Ca -0.05 -0.65 0.07 0.00 -1.25 0.00 0.00 55.69 53.81 3bfu s MET 114 Cb -0.14 -2.74 -0.05 0.00 1.25 0.00 0.00 34.83 33.15 3bfu s MET 114 CO 0.04 0.13 -0.14 0.96 1.05 0.00 0.00 175.02 177.06 3bfu s ILE 115 N 0.58 1.63 0.08 10.11 -4.36 -0.50 -1.39 121.20 127.35 3bfu s ILE 115 Ca -0.07 -2.18 -0.30 0.00 -0.26 0.00 0.00 60.65 57.85 3bfu s ILE 115 Cb -0.15 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 3bfu s ILE 115 CO 0.03 -0.62 0.97 -0.75 0.24 0.00 0.00 174.94 174.82 3bfu s LYS 116 N -3.64 4.65 0.17 0.37 2.47 -1.26 -0.91 119.74 121.59 3bfu s LYS 116 Ca 0.21 1.46 -0.32 0.00 -1.56 0.00 0.00 55.97 55.75 3bfu s LYS 116 Cb -0.00 -3.40 -0.16 0.00 -1.46 0.00 0.00 37.83 32.81 3bfu s LYS 116 CO 0.06 0.13 1.09 1.63 0.16 0.00 0.00 175.35 178.42 3bfu n LYS 117 N 3.11 1.01 0.00 4.03 5.02 0.06 -1.78 118.16 129.60 3bfu n LYS 117 Ca 0.03 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 3bfu n LYS 117 Cb 0.50 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3bfu n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 118 N 1.91 1.59 3.70 0.72 0.00 -1.26 -4.98 105.19 106.86 3bfu n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3bfu n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bfu s THR 119 N -2.40 3.13 -1.13 2.61 2.01 -0.74 -4.87 115.64 114.25 3bfu s THR 119 Ca 0.00 0.63 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 3bfu s THR 119 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 3bfu s THR 119 CO 0.00 0.01 2.25 -0.81 -0.69 0.00 0.00 174.62 175.38 3bfu n PRO 120 N 5.20 2.40 -3.71 4.92 -0.04 -1.26 -4.80 135.00 137.71 3bfu n PRO 120 Ca 0.15 -1.97 -0.18 0.00 -0.04 0.00 0.00 63.50 61.47 3bfu n PRO 120 Cb 0.41 -2.84 -0.17 0.00 -0.04 0.00 0.00 33.50 30.86 3bfu n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bfu s ILE 121 N 3.59 -0.11 -0.01 0.52 -1.09 -1.26 -5.01 121.20 117.82 3bfu s ILE 121 Ca 0.52 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 59.34 3bfu s ILE 121 Cb 0.14 -0.15 -0.10 0.00 -1.58 0.00 0.00 42.46 40.76 3bfu s ILE 121 CO -0.01 0.14 0.14 -0.62 -1.23 0.00 0.00 174.94 173.36 3bfu n GLU 122 N 4.88 0.42 -4.06 2.79 1.02 -1.26 -4.90 120.64 119.52 3bfu n GLU 122 Ca -0.13 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.81 3bfu n GLU 122 Cb 0.50 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.73 3bfu n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3bfu s SER 123 N -2.85 0.86 0.16 1.62 1.04 -1.26 -2.42 113.70 110.85 3bfu s SER 123 Ca -0.02 -1.46 -0.08 0.00 0.48 0.00 0.00 55.95 54.86 3bfu s SER 123 Cb 0.04 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.88 3bfu s SER 123 CO 0.28 -1.34 1.50 0.00 0.98 0.00 0.00 173.24 174.65 3bfu h ALA 124 N 2.09 0.64 -0.65 5.32 0.00 -1.94 -2.77 119.26 121.95 3bfu h ALA 124 Ca -0.29 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.18 3bfu h ALA 124 Cb 1.24 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3bfu h ALA 124 CO 0.39 0.67 0.42 1.49 0.00 0.00 0.00 179.25 182.22 3bfu h GLU 125 N 0.65 0.82 -0.44 0.00 4.81 -1.96 -0.85 114.58 117.61 3bfu h GLU 125 Ca 0.05 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3bfu h GLU 125 Cb 1.00 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 3bfu h GLU 125 CO 0.10 0.54 0.17 -0.44 -0.73 0.00 0.00 179.01 178.65 3bfu h ASP 126 N 0.84 0.20 -0.06 1.04 3.32 -1.92 -2.26 116.42 117.58 3bfu h ASP 126 Ca 0.25 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.36 3bfu h ASP 126 Cb -0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3bfu h ASP 126 CO -0.08 0.15 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.52 3bfu h LEU 127 N 0.35 -0.03 -2.58 1.55 3.38 -1.07 -2.61 115.31 114.29 3bfu h LEU 127 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3bfu h LEU 127 Cb 0.18 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3bfu h LEU 127 CO -0.20 -0.01 0.00 0.77 0.09 0.00 0.00 178.44 179.10 3bfu h SER 128 N 0.02 0.00 -0.65 -0.43 4.64 -0.81 -2.70 113.55 113.61 3bfu h SER 128 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3bfu h SER 128 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3bfu h SER 128 CO -0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.20 3bfu n LYS 129 N -2.94 3.25 -4.12 4.77 5.02 -0.88 -4.93 118.16 118.33 3bfu n LYS 129 Ca -0.02 -2.74 -0.10 0.00 -2.02 0.00 0.00 58.31 53.43 3bfu n LYS 129 Cb 0.09 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 3bfu n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3bfu s GLN 130 N -1.47 1.10 0.00 1.97 1.03 -1.02 -5.07 119.66 116.20 3bfu s GLN 130 Ca 0.48 -1.43 0.00 0.00 0.04 0.00 0.00 55.36 54.44 3bfu s GLN 130 Cb 0.28 0.29 0.00 0.00 0.03 0.00 0.00 33.01 33.62 3bfu s GLN 130 CO 0.27 -0.36 0.00 0.25 -2.54 0.00 0.00 175.29 172.91 3bfu n THR 131 N -0.19 0.00 -0.30 3.63 -2.24 -1.26 -4.79 114.28 109.12 3bfu n THR 131 Ca -0.03 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.49 3bfu n THR 131 Cb 0.64 0.81 0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3bfu n THR 131 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3bfu h GLU 132 N 0.00 1.13 -4.90 -0.78 4.57 -1.97 -3.40 114.58 109.24 3bfu h GLU 132 Ca 0.00 -0.12 -0.65 0.00 -1.18 0.00 0.00 59.36 57.40 3bfu h GLU 132 Cb 0.00 -0.23 -0.17 0.00 -0.16 0.00 0.00 28.75 28.19 3bfu h GLU 132 CO 0.00 0.82 -0.42 0.42 -1.18 0.00 0.00 179.01 178.66 3bfu s ILE 133 N -5.88 5.25 0.68 2.32 1.01 -1.26 -4.88 121.20 118.44 3bfu s ILE 133 Ca -0.13 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 3bfu s ILE 133 Cb 0.16 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.96 3bfu s ILE 133 CO 0.81 0.10 1.07 0.00 0.00 0.00 0.00 174.94 176.92 3bfu s ALA 134 N 1.85 2.97 -0.07 9.38 0.00 0.24 -4.87 121.76 131.26 3bfu s ALA 134 Ca 0.09 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 3bfu s ALA 134 Cb -0.16 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 19.99 3bfu s ALA 134 CO 0.11 -0.99 0.69 1.52 0.00 0.00 0.00 175.76 177.09 3bfu s TYR 135 N -3.30 -0.66 0.00 0.00 -0.85 -1.26 -0.52 117.35 110.76 3bfu s TYR 135 Ca 0.57 1.18 0.00 0.00 -0.52 0.00 0.00 57.07 58.30 3bfu s TYR 135 Cb -0.11 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.63 3bfu s TYR 135 CO 0.52 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 174.38 3bfu n GLY 136 N 1.04 2.88 1.80 5.49 0.00 -1.15 -4.78 105.19 110.47 3bfu n GLY 136 Ca -0.18 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3bfu n GLY 136 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bfu n THR 137 N 0.00 0.00 -2.06 2.61 -2.24 -1.25 -1.25 114.28 110.10 3bfu n THR 137 Ca 0.00 -1.25 -0.37 0.00 -2.27 0.00 0.00 64.05 60.16 3bfu n THR 137 Cb 0.00 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 3bfu n THR 137 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3bfu s LEU 138 N 0.00 3.86 0.00 3.22 2.96 -1.26 -1.91 118.68 125.54 3bfu s LEU 138 Ca 0.20 2.45 0.12 0.00 -0.22 0.00 0.00 54.13 56.68 3bfu s LEU 138 Cb 0.01 -4.37 0.56 0.00 0.50 0.00 0.00 46.19 42.88 3bfu s LEU 138 CO 0.15 -1.31 1.30 -0.67 -1.32 0.00 0.00 176.35 174.50 3bfu n ASP 139 N -0.99 0.00 -3.50 3.68 2.03 0.18 -4.48 116.55 113.46 3bfu n ASP 139 Ca 0.10 0.23 -0.11 0.00 0.52 0.00 0.00 54.79 55.53 3bfu n ASP 139 Cb 0.48 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 40.51 3bfu n ASP 139 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3bfu s SER 140 N -2.70 -0.51 0.00 1.67 1.04 -1.26 -5.02 113.70 106.92 3bfu s SER 140 Ca 0.09 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3bfu s SER 140 Cb 0.08 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3bfu s SER 140 CO 0.19 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3bfu n GLY 141 N -0.39 1.26 0.26 7.32 0.00 -1.26 -4.73 105.19 107.66 3bfu n GLY 141 Ca -0.14 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.72 3bfu n GLY 141 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bfu h SER 142 N 0.00 0.00 -0.01 1.61 4.64 -1.95 -2.42 113.55 115.41 3bfu h SER 142 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3bfu h SER 142 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bfu h SER 142 CO 0.00 0.09 -0.23 0.74 -0.87 0.00 0.00 176.83 176.57 3bfu h THR 143 N 0.00 1.52 -0.58 2.95 2.02 -1.94 -0.90 112.91 115.99 3bfu h THR 143 Ca -0.00 -1.85 0.01 0.00 0.77 0.00 0.00 66.41 65.34 3bfu h THR 143 Cb 0.22 2.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 3bfu h THR 143 CO 0.01 0.51 0.37 0.50 0.37 0.00 0.00 175.52 177.28 3bfu h LYS 144 N -0.46 0.73 -0.36 6.66 3.64 -1.76 -1.62 116.57 123.40 3bfu h LYS 144 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3bfu h LYS 144 Cb 0.95 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3bfu h LYS 144 CO 0.05 0.48 0.10 0.93 -2.27 0.00 0.00 179.45 178.73 3bfu h GLU 145 N 0.75 0.53 -0.16 1.90 5.08 -1.46 -1.89 114.58 119.32 3bfu h GLU 145 Ca 0.22 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3bfu h GLU 145 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3bfu h GLU 145 CO -0.06 0.48 0.00 0.35 -1.00 0.00 0.00 179.01 178.78 3bfu h PHE 146 N 0.52 -0.01 -0.41 4.33 3.57 -0.17 -2.00 116.94 122.77 3bfu h PHE 146 Ca 0.12 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3bfu h PHE 146 Cb 0.19 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3bfu h PHE 146 CO 0.01 -0.02 -0.22 0.74 -2.23 0.00 0.00 178.31 176.59 3bfu h PHE 147 N 0.05 1.02 -0.41 0.41 0.04 -1.14 -1.34 116.94 115.57 3bfu h PHE 147 Ca 0.07 -0.26 0.02 0.00 2.80 0.00 0.00 57.97 60.61 3bfu h PHE 147 Cb 0.09 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 3bfu h PHE 147 CO -0.15 1.04 0.23 -0.09 -0.60 0.00 0.00 178.31 178.74 3bfu h ARG 148 N 0.70 0.46 0.00 1.51 2.43 -1.16 -3.09 114.38 115.23 3bfu h ARG 148 Ca 0.09 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 3bfu h ARG 148 Cb 0.78 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3bfu h ARG 148 CO 0.06 0.30 -0.79 0.00 -1.51 0.00 0.00 179.97 178.03 3bfu h ARG 149 N 0.47 0.00 -6.34 0.20 3.08 -1.39 -3.48 114.38 106.92 3bfu h ARG 149 Ca 0.17 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.60 3bfu h ARG 149 Cb 0.03 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.19 3bfu h ARG 149 CO -0.09 0.59 -0.09 0.45 -1.07 0.00 0.00 179.97 179.77 3bfu n SER 150 N -3.20 0.45 -0.26 7.04 2.88 -0.51 -4.90 113.62 115.12 3bfu n SER 150 Ca -0.01 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 3bfu n SER 150 Cb 0.81 -1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 63.08 3bfu n SER 150 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3bfu n LYS 151 N 0.78 1.98 -2.23 -1.46 5.02 -1.26 -4.58 118.16 116.40 3bfu n LYS 151 Ca 0.12 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.34 3bfu n LYS 151 Cb 0.31 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 3bfu n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bfu s ILE 152 N -1.53 3.56 0.09 -0.18 1.01 -1.26 -4.87 121.20 118.02 3bfu s ILE 152 Ca 0.10 1.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.64 3bfu s ILE 152 Cb 0.09 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3bfu s ILE 152 CO 0.30 0.06 1.32 0.00 0.00 0.00 0.00 174.94 176.62 3bfu h ALA 153 N 7.09 -0.36 -0.51 9.38 0.00 -1.98 0.23 119.26 133.10 3bfu h ALA 153 Ca -0.41 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.65 3bfu h ALA 153 Cb 1.20 1.19 -0.07 0.00 0.00 0.00 0.00 17.79 20.12 3bfu h ALA 153 CO 0.86 -0.60 0.13 0.28 0.00 0.00 0.00 179.25 179.93 3bfu h VAL 154 N -0.03 0.75 -0.13 0.00 2.07 -1.99 -1.19 116.25 115.73 3bfu h VAL 154 Ca 0.09 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 3bfu h VAL 154 Cb 0.26 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3bfu h VAL 154 CO -0.53 0.05 -0.56 -0.26 0.02 0.00 0.00 177.57 176.28 3bfu h PHE 155 N 0.28 0.50 -0.47 1.57 0.04 -1.80 -1.97 116.94 115.09 3bfu h PHE 155 Ca 0.26 -0.18 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 3bfu h PHE 155 Cb 0.32 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3bfu h PHE 155 CO -0.20 0.87 -0.09 0.22 -0.60 0.00 0.00 178.31 178.50 3bfu h ASP 156 N 0.30 0.83 -0.66 2.17 3.58 -0.22 -0.30 116.42 122.13 3bfu h ASP 156 Ca 0.00 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.16 3bfu h ASP 156 Cb 1.08 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 3bfu h ASP 156 CO 0.10 0.95 0.24 0.50 -2.88 0.00 0.00 179.24 178.15 3bfu h LYS 157 N 0.77 1.00 -0.63 0.28 3.64 -1.07 -0.05 116.57 120.50 3bfu h LYS 157 Ca 0.13 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 3bfu h LYS 157 Cb 0.59 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3bfu h LYS 157 CO 0.04 0.85 0.19 0.52 -2.27 0.00 0.00 179.45 178.77 3bfu h MET 158 N 0.94 0.98 -0.38 1.90 2.86 -0.87 -2.60 114.93 117.75 3bfu h MET 158 Ca 0.22 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3bfu h MET 158 Cb 0.24 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3bfu h MET 158 CO -0.01 0.86 0.12 2.35 1.06 0.00 0.00 176.91 181.29 3bfu h TRP 159 N 0.90 0.61 -0.89 -0.22 2.91 -0.64 -0.91 115.95 117.71 3bfu h TRP 159 Ca 0.20 -0.06 0.15 0.00 1.13 0.00 0.00 58.89 60.31 3bfu h TRP 159 Cb 0.30 -0.18 -0.07 0.00 -0.51 0.00 0.00 29.16 28.70 3bfu h TRP 159 CO 0.02 0.57 0.57 1.15 -1.03 0.00 0.00 178.44 179.72 3bfu h THR 160 N 0.47 0.83 0.08 2.65 2.02 -0.80 0.08 112.91 118.24 3bfu h THR 160 Ca 0.12 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3bfu h THR 160 Cb 0.24 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3bfu h THR 160 CO -0.01 0.12 -0.04 0.22 0.37 0.00 0.00 175.52 176.19 3bfu h TYR 161 N 0.67 -0.10 -0.46 3.16 3.20 -1.11 -3.32 116.97 119.03 3bfu h TYR 161 Ca 0.45 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.36 3bfu h TYR 161 Cb 0.74 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3bfu h TYR 161 CO -0.00 0.46 0.20 0.52 -1.64 0.00 0.00 178.16 177.70 3bfu h MET 162 N -0.87 0.39 -0.18 1.82 2.86 -0.71 -1.20 114.93 117.04 3bfu h MET 162 Ca -0.01 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3bfu h MET 162 Cb 0.60 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3bfu h MET 162 CO 0.02 0.26 0.12 0.07 1.06 0.00 0.00 176.91 178.44 3bfu h ARG 163 N 0.40 0.06 -0.00 1.72 0.11 -1.15 -2.87 114.38 112.66 3bfu h ARG 163 Ca 0.21 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.28 3bfu h ARG 163 Cb 0.15 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.22 3bfu h ARG 163 CO -0.17 0.04 -0.74 0.43 0.10 0.00 0.00 179.97 179.63 3bfu n SER 164 N -4.50 1.13 -4.75 0.08 7.64 -1.00 -5.02 113.62 107.20 3bfu n SER 164 Ca 0.01 -1.06 -0.42 0.00 1.01 0.00 0.00 58.87 58.41 3bfu n SER 164 Cb 0.21 0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 64.26 3bfu n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bfu n ALA 165 N -1.07 2.31 -3.67 -0.43 0.00 -0.49 -5.02 120.51 112.15 3bfu n ALA 165 Ca 0.05 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 3bfu n ALA 165 Cb 0.32 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.18 3bfu n ALA 165 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bfu s GLU 166 N -1.43 0.84 0.86 0.00 0.41 -1.26 -3.55 118.70 114.57 3bfu s GLU 166 Ca 0.58 -0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.96 3bfu s GLU 166 Cb -0.50 -0.92 0.11 0.00 -1.78 0.00 0.00 34.13 31.04 3bfu s GLU 166 CO 0.57 -0.14 1.10 -1.25 -0.49 0.00 0.00 175.26 175.06 3bfu s PRO 167 N 1.18 1.50 0.24 0.39 0.04 -1.26 -5.07 135.00 132.02 3bfu s PRO 167 Ca -0.07 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 3bfu s PRO 167 Cb -0.14 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 3bfu s PRO 167 CO -0.01 -2.17 0.92 0.45 0.04 0.00 0.00 177.00 176.23 3bfu n SER 168 N -3.87 0.64 -0.61 6.66 2.88 -1.23 -4.89 113.62 113.20 3bfu n SER 168 Ca 0.09 1.16 0.12 0.00 -1.33 0.00 0.00 58.87 58.91 3bfu n SER 168 Cb 0.53 -1.18 0.12 0.00 -0.75 0.00 0.00 64.21 62.93 3bfu n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3bfu n VAL 169 N 0.42 0.00 -2.93 2.46 0.24 -1.26 -4.95 118.33 112.31 3bfu n VAL 169 Ca 0.13 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.34 61.82 3bfu n VAL 169 Cb 0.28 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 3bfu n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3bfu s PHE 170 N -2.29 3.49 0.16 6.34 0.08 -1.26 -3.77 117.98 120.72 3bfu s PHE 170 Ca 0.24 0.91 0.05 0.00 0.12 0.00 0.00 56.93 58.25 3bfu s PHE 170 Cb 0.19 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 3bfu s PHE 170 CO 0.46 -0.07 -0.09 0.14 -0.10 0.00 0.00 175.22 175.55 3bfu s VAL 171 N -2.37 1.20 0.11 -0.44 -7.23 -0.80 -4.85 120.40 106.02 3bfu s VAL 171 Ca 0.49 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 3bfu s VAL 171 Cb -0.10 -1.92 -0.20 0.00 0.56 0.00 0.00 36.38 34.72 3bfu s VAL 171 CO 0.33 -0.69 1.26 0.03 -0.31 0.00 0.00 175.10 175.73 3bfu h ARG 172 N 2.73 0.58 -4.53 4.82 3.08 -1.96 0.51 114.38 119.61 3bfu h ARG 172 Ca -0.37 -0.60 -0.21 0.00 0.07 0.00 0.00 59.98 58.87 3bfu h ARG 172 Cb 1.20 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 3bfu h ARG 172 CO 0.63 1.21 -0.66 0.95 -1.07 0.00 0.00 179.97 181.04 3bfu s THR 173 N -3.37 0.35 0.22 2.04 -4.23 -1.26 -4.73 115.64 104.66 3bfu s THR 173 Ca -0.08 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3bfu s THR 173 Cb 0.08 -1.96 0.19 0.00 1.34 0.00 0.00 72.50 72.15 3bfu s THR 173 CO 0.89 -0.58 1.85 0.74 -0.54 0.00 0.00 174.62 176.99 3bfu h THR 174 N 2.86 1.25 -0.97 3.99 2.02 -1.96 -2.20 112.91 117.90 3bfu h THR 174 Ca -0.35 -0.61 0.09 0.00 0.77 0.00 0.00 66.41 66.31 3bfu h THR 174 Cb 1.19 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 3bfu h THR 174 CO 0.62 0.28 0.62 0.00 0.37 0.00 0.00 175.52 177.41 3bfu h ALA 175 N 1.26 1.50 -0.45 6.16 0.00 -1.96 0.28 119.26 126.05 3bfu h ALA 175 Ca 0.30 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3bfu h ALA 175 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3bfu h ALA 175 CO -0.05 0.32 -0.26 0.93 0.00 0.00 0.00 179.25 180.19 3bfu h GLU 176 N 1.05 0.95 -0.49 0.00 5.08 -1.82 -0.37 114.58 118.98 3bfu h GLU 176 Ca 0.44 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3bfu h GLU 176 Cb 0.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3bfu h GLU 176 CO -0.20 1.09 0.21 0.78 -1.00 0.00 0.00 179.01 179.89 3bfu h GLY 177 N 0.87 0.78 0.90 -3.84 0.00 -0.76 -1.01 103.07 100.01 3bfu h GLY 177 Ca 0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3bfu h GLY 177 CO 0.07 0.39 0.10 -2.08 0.00 0.00 0.00 176.54 175.02 3bfu h VAL 178 N 0.65 1.17 -0.98 4.60 2.07 -0.86 -1.78 116.25 121.12 3bfu h VAL 178 Ca 0.17 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3bfu h VAL 178 Cb 0.17 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3bfu h VAL 178 CO -0.02 0.17 0.63 0.00 0.02 0.00 0.00 177.57 178.37 3bfu h ALA 179 N 0.94 1.35 -0.64 1.67 0.00 -0.88 -1.46 119.26 120.24 3bfu h ALA 179 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3bfu h ALA 179 Cb 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3bfu h ALA 179 CO -0.01 0.42 0.08 -0.09 0.00 0.00 0.00 179.25 179.65 3bfu h ARG 180 N 1.15 1.07 -0.29 0.00 2.43 -0.81 -1.45 114.38 116.47 3bfu h ARG 180 Ca 0.42 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3bfu h ARG 180 Cb 0.16 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3bfu h ARG 180 CO -0.17 0.99 0.11 0.28 -1.51 0.00 0.00 179.97 179.68 3bfu h VAL 181 N 1.00 1.18 -0.27 0.20 2.07 -0.64 -1.99 116.25 117.80 3bfu h VAL 181 Ca 0.19 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3bfu h VAL 181 Cb 0.46 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3bfu h VAL 181 CO 0.02 0.19 -0.00 0.03 0.02 0.00 0.00 177.57 177.83 3bfu h ARG 182 N 0.32 0.40 -0.02 1.57 3.08 -1.01 -3.06 114.38 115.67 3bfu h ARG 182 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3bfu h ARG 182 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3bfu h ARG 182 CO -0.01 0.43 -0.26 0.36 -1.07 0.00 0.00 179.97 179.43 3bfu n LYS 183 N -4.32 1.60 -0.22 0.04 2.85 -0.57 -4.40 118.16 113.14 3bfu n LYS 183 Ca 0.01 -1.28 0.06 0.00 -1.05 0.00 0.00 58.31 56.05 3bfu n LYS 183 Cb 0.22 -1.47 0.18 0.00 -0.65 0.00 0.00 35.03 33.30 3bfu n LYS 183 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3bfu n SER 184 N 0.41 2.22 -3.40 -5.58 7.64 -0.75 -4.93 113.62 109.24 3bfu n SER 184 Ca 0.12 -2.04 -0.24 0.00 1.01 0.00 0.00 58.87 57.72 3bfu n SER 184 Cb 0.50 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3bfu n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bfu n LYS 185 N 0.64 -3.70 -0.97 1.43 5.02 -1.26 -0.85 118.16 118.47 3bfu n LYS 185 Ca 0.13 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 3bfu n LYS 185 Cb 0.36 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3bfu n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 186 N -1.26 0.66 1.04 0.72 0.00 -1.26 -4.90 105.19 100.19 3bfu n GLY 186 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3bfu n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bfu n LYS 187 N -2.68 2.41 -3.75 1.61 4.76 -0.03 -4.82 118.16 115.66 3bfu n LYS 187 Ca 0.00 -1.95 -0.13 0.00 -2.87 0.00 0.00 58.31 53.36 3bfu n LYS 187 Cb 0.00 -1.48 -0.13 0.00 -1.84 0.00 0.00 35.03 31.58 3bfu n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3bfu s TYR 188 N -1.40 -0.30 0.11 2.13 5.04 -1.25 -0.60 117.35 121.08 3bfu s TYR 188 Ca 0.36 0.73 0.10 0.00 -2.44 0.00 0.00 57.07 55.82 3bfu s TYR 188 Cb 0.20 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.52 3bfu s TYR 188 CO 0.23 -0.20 -0.27 0.00 -1.34 0.00 0.00 175.55 173.97 3bfu s ALA 189 N 0.97 2.33 -0.08 3.97 0.00 0.32 -4.61 121.76 124.66 3bfu s ALA 189 Ca -0.07 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.52 3bfu s ALA 189 Cb -0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3bfu s ALA 189 CO -0.06 0.53 -0.21 -0.47 0.00 0.00 0.00 175.76 175.55 3bfu s TYR 190 N -0.99 2.56 -0.38 0.00 5.04 -0.49 -2.93 117.35 120.16 3bfu s TYR 190 Ca 0.13 -0.69 -0.13 0.00 -2.44 0.00 0.00 57.07 53.94 3bfu s TYR 190 Cb -0.10 -1.66 0.01 0.00 0.35 0.00 0.00 41.96 40.56 3bfu s TYR 190 CO 0.05 -0.20 0.26 -0.51 -1.34 0.00 0.00 175.55 173.81 3bfu s LEU 191 N -0.07 4.82 0.25 6.97 1.43 -0.38 -0.43 118.68 131.26 3bfu s LEU 191 Ca -0.05 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 3bfu s LEU 191 Cb -0.14 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3bfu s LEU 191 CO 0.04 -0.36 0.33 -1.48 0.23 0.00 0.00 176.35 175.12 3bfu s LEU 192 N 1.67 0.82 0.27 1.79 2.34 -0.61 -4.42 118.68 120.55 3bfu s LEU 192 Ca 0.05 -1.24 -0.30 0.00 0.06 0.00 0.00 54.13 52.71 3bfu s LEU 192 Cb -0.18 1.12 -0.10 0.00 -0.56 0.00 0.00 46.19 46.47 3bfu s LEU 192 CO 0.09 -1.04 1.39 -1.61 -1.06 0.00 0.00 176.35 174.12 3bfu s GLU 193 N -3.90 4.30 0.43 1.48 2.02 -1.26 0.33 118.70 122.10 3bfu s GLU 193 Ca 0.31 2.26 0.25 0.00 0.02 0.00 0.00 54.97 57.81 3bfu s GLU 193 Cb 0.03 -3.10 1.27 0.00 0.10 0.00 0.00 34.13 32.42 3bfu s GLU 193 CO 0.13 -0.34 1.72 0.66 0.02 0.00 0.00 175.26 177.45 3bfu h SER 194 N 4.54 0.33 -0.29 -0.19 4.64 -0.16 -1.70 113.55 120.71 3bfu h SER 194 Ca -0.47 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3bfu h SER 194 Cb 1.22 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3bfu h SER 194 CO 0.74 -0.02 0.15 0.71 -0.87 0.00 0.00 176.83 177.54 3bfu h THR 195 N 0.24 1.14 -0.47 2.95 1.35 -1.89 -0.43 112.91 115.81 3bfu h THR 195 Ca 0.68 -0.39 -0.13 0.00 -0.55 0.00 0.00 66.41 66.01 3bfu h THR 195 Cb 1.99 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 3bfu h THR 195 CO -0.31 0.14 -0.23 0.24 -0.25 0.00 0.00 175.52 175.12 3bfu h MET 196 N 0.35 0.98 -0.22 4.72 2.86 -1.67 -2.79 114.93 119.16 3bfu h MET 196 Ca 0.10 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.33 3bfu h MET 196 Cb 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3bfu h MET 196 CO -0.01 1.10 0.06 -0.97 1.06 0.00 0.00 176.91 178.15 3bfu h ASN 197 N 0.83 0.06 -0.03 1.22 -0.73 -1.32 -0.88 115.58 114.73 3bfu h ASN 197 Ca 0.10 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.26 3bfu h ASN 197 Cb 0.81 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.41 3bfu h ASN 197 CO 0.07 0.06 -0.07 -0.33 -0.37 0.00 0.00 177.43 176.80 3bfu h GLU 198 N 0.16 0.24 -0.03 6.67 5.08 -1.06 -1.30 114.58 124.34 3bfu h GLU 198 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3bfu h GLU 198 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bfu h GLU 198 CO -0.11 0.33 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.25 3bfu h TYR 199 N 0.24 0.12 -0.43 4.33 3.20 -1.12 -3.24 116.97 120.07 3bfu h TYR 199 Ca 0.05 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3bfu h TYR 199 Cb 0.28 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3bfu h TYR 199 CO 0.00 0.63 0.20 0.82 -1.64 0.00 0.00 178.16 178.17 3bfu h ILE 200 N -0.44 1.15 0.00 1.81 1.08 -0.97 -2.03 117.51 118.12 3bfu h ILE 200 Ca 0.00 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 3bfu h ILE 200 Cb 0.63 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 3bfu h ILE 200 CO 0.01 0.18 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.56 3bfu h GLU 201 N 0.60 0.00 -0.46 2.37 4.81 -1.27 -1.66 114.58 118.97 3bfu h GLU 201 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3bfu h GLU 201 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3bfu h GLU 201 CO -0.02 0.01 0.00 1.04 -0.73 0.00 0.00 179.01 179.31 3bfu n GLN 202 N -3.16 3.90 -5.16 1.92 1.13 -0.76 -4.82 117.38 110.43 3bfu n GLN 202 Ca -0.02 -2.95 -0.31 0.00 -1.94 0.00 0.00 57.00 51.78 3bfu n GLN 202 Cb 0.13 -2.00 -0.15 0.00 0.11 0.00 0.00 30.24 28.33 3bfu n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3bfu s ARG 203 N -2.55 2.18 0.69 -1.09 1.81 -0.63 0.23 118.95 119.59 3bfu s ARG 203 Ca 0.48 -0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 53.43 3bfu s ARG 203 Cb 0.36 -2.12 0.01 0.00 -0.45 0.00 0.00 34.95 32.75 3bfu s ARG 203 CO 0.15 0.57 1.17 1.63 -0.68 0.00 0.00 175.30 178.14 3bfu n LYS 204 N 2.33 0.78 0.00 3.54 5.02 -1.26 -0.96 118.16 127.61 3bfu n LYS 204 Ca -0.16 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3bfu n LYS 204 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3bfu n LYS 204 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3bfu n PRO 205 N -2.08 0.96 -3.88 1.97 -0.04 -1.26 -4.94 135.00 125.72 3bfu n PRO 205 Ca 0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.32 3bfu n PRO 205 Cb 0.49 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3bfu n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bfu n ASP 207 N -2.88 3.02 -4.60 0.00 5.75 -1.26 -4.99 116.55 111.58 3bfu n ASP 207 Ca -0.04 -1.94 -0.25 0.00 -0.01 0.00 0.00 54.79 52.55 3bfu n ASP 207 Cb 0.56 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 40.31 3bfu n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3bfu s THR 208 N -1.02 2.42 -0.09 2.12 -4.23 -1.26 -0.76 115.64 112.82 3bfu s THR 208 Ca 0.27 -2.06 -0.21 0.00 -1.18 0.00 0.00 61.69 58.52 3bfu s THR 208 Cb 0.15 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.27 3bfu s THR 208 CO 0.19 -0.18 0.49 -0.32 -0.54 0.00 0.00 174.62 174.27 3bfu s MET 209 N -3.68 0.77 -0.16 3.99 1.75 -0.09 -4.76 119.30 117.12 3bfu s MET 209 Ca 0.34 0.25 -0.18 0.00 -1.25 0.00 0.00 55.69 54.85 3bfu s MET 209 Cb 0.02 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 38.01 3bfu s MET 209 CO 0.18 -0.19 0.50 0.21 -0.65 0.00 0.00 175.02 175.07 3bfu s LYS 210 N -0.75 4.27 0.06 4.11 2.20 -1.26 -1.41 119.74 126.96 3bfu s LYS 210 Ca -0.08 0.44 0.09 0.00 -0.36 0.00 0.00 55.97 56.05 3bfu s LYS 210 Cb -0.03 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3bfu s LYS 210 CO 0.05 0.01 -0.24 0.14 -0.36 0.00 0.00 175.35 174.95 3bfu s VAL 211 N 1.10 1.94 0.10 4.02 -7.23 -0.83 -5.01 120.40 114.49 3bfu s VAL 211 Ca 0.25 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3bfu s VAL 211 Cb -0.15 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.10 3bfu s VAL 211 CO 0.10 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3bfu n GLY 212 N 1.60 -1.55 3.94 2.32 0.00 -1.02 -4.10 105.19 106.39 3bfu n GLY 212 Ca -0.17 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 3bfu n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bfu s GLY 213 N -3.77 1.73 0.47 -0.02 0.00 -1.26 -4.93 107.32 99.54 3bfu s GLY 213 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.45 3bfu s GLY 213 CO 0.00 -0.69 1.13 -1.31 0.00 0.00 0.00 173.10 172.23 3bfu s ASN 214 N -4.47 6.16 0.43 1.64 0.01 -1.26 -4.83 114.94 112.62 3bfu s ASN 214 Ca 0.59 2.21 0.24 0.00 -0.71 0.00 0.00 52.86 55.19 3bfu s ASN 214 Cb -0.11 -2.59 0.49 0.00 0.41 0.00 0.00 41.25 39.45 3bfu s ASN 214 CO 0.43 -0.91 1.66 -0.07 -1.51 0.00 0.00 177.10 176.69 3bfu h LEU 215 N 1.88 0.00 0.00 0.60 4.07 -1.02 -3.48 115.31 117.36 3bfu h LEU 215 Ca -0.49 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.39 3bfu h LEU 215 Cb 1.24 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 3bfu h LEU 215 CO 0.60 0.00 0.18 -0.90 -1.08 0.00 0.00 178.44 177.23 3bfu n ASP 216 N -3.02 -1.94 -3.86 -0.43 5.75 -1.26 -4.94 116.55 106.84 3bfu n ASP 216 Ca 0.04 -2.51 -0.17 0.00 -0.01 0.00 0.00 54.79 52.13 3bfu n ASP 216 Cb 0.50 3.29 -0.16 0.00 -1.03 0.00 0.00 41.12 43.72 3bfu n ASP 216 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3bfu s SER 217 N -2.91 0.51 0.00 -1.12 0.01 -1.26 -4.16 113.70 104.77 3bfu s SER 217 Ca 0.17 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3bfu s SER 217 Cb -0.04 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.97 3bfu s SER 217 CO 0.12 -0.06 0.00 2.29 0.41 0.00 0.00 173.24 176.01 3bfu n LYS 218 N 3.85 0.00 -3.98 12.44 2.85 -0.41 -5.01 118.16 127.90 3bfu n LYS 218 Ca -0.24 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.93 3bfu n LYS 218 Cb 0.52 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.86 3bfu n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3bfu s GLY 219 N -0.96 0.57 -0.02 2.58 0.00 -1.26 -1.22 107.32 107.01 3bfu s GLY 219 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3bfu s GLY 219 CO 0.00 -0.59 0.16 -0.19 0.00 0.00 0.00 173.10 172.48 3bfu s TYR 220 N -3.77 3.50 0.07 1.90 2.02 -0.35 -1.23 117.35 119.48 3bfu s TYR 220 Ca 0.22 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.27 3bfu s TYR 220 Cb -0.02 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3bfu s TYR 220 CO 0.10 0.64 -0.05 0.20 -1.57 0.00 0.00 175.55 174.87 3bfu s GLY 221 N -1.79 0.57 0.01 0.71 0.00 -0.86 -0.92 107.32 105.05 3bfu s GLY 221 Ca 0.25 -1.12 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 3bfu s GLY 221 CO 0.16 -1.21 0.87 -0.42 0.00 0.00 0.00 173.10 172.49 3bfu s ILE 222 N -3.08 4.82 0.09 0.90 1.09 -1.26 -4.53 121.20 119.23 3bfu s ILE 222 Ca 0.03 1.83 0.05 0.00 -1.10 0.00 0.00 60.65 61.46 3bfu s ILE 222 Cb 0.02 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 3bfu s ILE 222 CO -0.05 0.25 -0.02 0.00 -0.10 0.00 0.00 174.94 175.02 3bfu s ALA 223 N 0.55 3.21 0.06 9.38 0.00 -0.83 -1.34 121.76 132.80 3bfu s ALA 223 Ca 0.45 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 3bfu s ALA 223 Cb -0.21 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3bfu s ALA 223 CO 0.25 0.69 0.02 0.95 0.00 0.00 0.00 175.76 177.66 3bfu s THR 224 N -1.28 0.20 0.45 0.00 -4.23 -0.72 -0.44 115.64 109.62 3bfu s THR 224 Ca 0.25 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.86 3bfu s THR 224 Cb -0.12 -1.45 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 3bfu s THR 224 CO 0.17 -0.91 1.28 -2.65 -0.54 0.00 0.00 174.62 171.96 3bfu n PRO 225 N 0.11 1.87 -1.67 3.99 -0.02 -1.26 -1.36 135.00 136.66 3bfu n PRO 225 Ca -0.14 0.67 -0.47 0.00 -2.02 0.00 0.00 63.50 61.54 3bfu n PRO 225 Cb 0.61 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3bfu n PRO 225 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bfu n LYS 226 N -0.19 2.09 -0.97 -0.52 4.81 -1.26 -0.82 118.16 121.31 3bfu n LYS 226 Ca 0.07 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3bfu n LYS 226 Cb 0.41 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.92 3bfu n LYS 226 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bfu n GLY 227 N 3.57 0.51 3.75 3.14 0.00 -1.26 -4.99 105.19 109.90 3bfu n GLY 227 Ca 0.18 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3bfu n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3bfu s SER 228 N -2.05 6.74 0.32 1.61 0.15 0.00 -4.91 113.70 115.56 3bfu s SER 228 Ca 0.00 2.62 0.01 0.00 0.70 0.00 0.00 55.95 59.28 3bfu s SER 228 Cb 0.00 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.23 3bfu s SER 228 CO 0.00 -0.61 1.92 0.77 1.20 0.00 0.00 173.24 176.52 3bfu h SER 229 N 4.60 0.70 0.04 5.45 4.64 -1.95 -1.92 113.55 125.12 3bfu h SER 229 Ca -0.47 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3bfu h SER 229 Cb 1.22 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3bfu h SER 229 CO 0.74 0.61 0.00 0.25 -0.87 0.00 0.00 176.83 177.56 3bfu h LEU 230 N 0.78 0.00 0.20 5.97 5.85 -1.96 -3.26 115.31 122.89 3bfu h LEU 230 Ca 0.19 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3bfu h LEU 230 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3bfu h LEU 230 CO -0.02 0.00 -0.30 1.23 -0.34 0.00 0.00 178.44 179.00 3bfu h GLY 231 N 0.12 -0.63 0.51 3.75 0.00 -1.72 -2.38 103.07 102.72 3bfu h GLY 231 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.72 3bfu h GLY 231 CO 0.00 -0.25 -0.15 -0.57 0.00 0.00 0.00 176.54 175.56 3bfu h ASN 232 N -0.58 -0.47 -0.36 0.19 -0.00 -1.78 -2.22 115.58 110.36 3bfu h ASN 232 Ca 0.01 0.08 0.03 0.00 -0.00 0.00 0.00 56.30 56.42 3bfu h ASN 232 Cb 0.57 0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 39.07 3bfu h ASN 232 CO -0.12 -0.20 0.17 0.00 -0.00 0.00 0.00 177.43 177.27 3bfu h ALA 233 N 0.81 0.44 -0.82 1.57 0.00 -1.77 -2.14 119.26 117.35 3bfu h ALA 233 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3bfu h ALA 233 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3bfu h ALA 233 CO -0.21 -0.21 0.46 0.28 0.00 0.00 0.00 179.25 179.56 3bfu h VAL 234 N 0.35 1.24 0.13 0.00 2.07 -1.31 -0.58 116.25 118.14 3bfu h VAL 234 Ca 0.15 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3bfu h VAL 234 Cb 0.08 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3bfu h VAL 234 CO -0.12 0.27 -0.06 -1.13 0.02 0.00 0.00 177.57 176.55 3bfu h ASN 235 N 1.14 -0.15 -0.20 0.57 -1.24 -1.09 -0.48 115.58 114.13 3bfu h ASN 235 Ca 0.29 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 3bfu h ASN 235 Cb 0.02 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3bfu h ASN 235 CO -0.05 -0.07 0.07 -0.07 -1.29 0.00 0.00 177.43 176.02 3bfu h LEU 236 N -0.21 0.35 -0.64 0.34 3.38 -1.20 -1.82 115.31 115.51 3bfu h LEU 236 Ca -0.02 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3bfu h LEU 236 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3bfu h LEU 236 CO 0.03 0.36 0.06 0.00 0.09 0.00 0.00 178.44 178.98 3bfu h ALA 237 N 1.69 0.86 -0.42 1.53 0.00 -0.62 -0.88 119.26 121.43 3bfu h ALA 237 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3bfu h ALA 237 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bfu h ALA 237 CO -0.00 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.38 3bfu h VAL 238 N 1.01 1.19 -0.69 0.00 2.07 -0.28 -0.50 116.25 119.05 3bfu h VAL 238 Ca 0.19 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3bfu h VAL 238 Cb 0.50 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3bfu h VAL 238 CO 0.02 0.21 0.27 -0.07 0.02 0.00 0.00 177.57 178.02 3bfu h LEU 239 N 0.54 0.96 0.05 2.57 3.38 -1.24 -1.36 115.31 120.21 3bfu h LEU 239 Ca 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3bfu h LEU 239 Cb 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bfu h LEU 239 CO -0.02 0.87 -0.03 0.50 0.09 0.00 0.00 178.44 179.86 3bfu h LYS 240 N 0.99 -0.07 -0.38 1.13 1.63 -0.83 -0.72 116.57 118.32 3bfu h LYS 240 Ca 0.23 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3bfu h LYS 240 Cb 0.22 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3bfu h LYS 240 CO -0.02 -0.02 0.17 -0.07 -3.45 0.00 0.00 179.45 176.06 3bfu h LEU 241 N -0.10 0.47 -0.14 5.20 3.38 -0.94 -1.45 115.31 121.73 3bfu h LEU 241 Ca -0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3bfu h LEU 241 Cb 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3bfu h LEU 241 CO 0.01 0.41 -0.20 -1.13 0.09 0.00 0.00 178.44 177.63 3bfu h ASN 242 N 0.53 0.42 0.47 -0.43 -1.24 -0.85 -0.93 115.58 113.55 3bfu h ASN 242 Ca 0.13 -0.52 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 3bfu h ASN 242 Cb 0.07 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 3bfu h ASN 242 CO -0.02 0.85 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.56 3bfu h GLU 243 N -0.01 0.00 0.00 6.67 5.08 -0.76 -0.72 114.58 124.84 3bfu h GLU 243 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3bfu h GLU 243 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3bfu h GLU 243 CO 0.05 0.09 -0.16 1.04 -1.00 0.00 0.00 179.01 179.02 3bfu n GLN 244 N -3.43 0.03 -0.79 2.33 6.02 -0.58 -4.91 117.38 116.05 3bfu n GLN 244 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3bfu n GLN 244 Cb 0.24 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3bfu n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bfu n GLY 245 N 1.48 0.59 0.27 1.08 0.00 -0.28 -4.95 105.19 103.39 3bfu n GLY 245 Ca 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3bfu n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bfu h LEU 246 N 0.00 0.88 -1.04 0.99 6.46 -1.37 -2.46 115.31 118.77 3bfu h LEU 246 Ca 0.00 -0.34 -0.07 0.00 -0.12 0.00 0.00 57.88 57.35 3bfu h LEU 246 Cb 0.00 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 3bfu h LEU 246 CO 0.00 1.09 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.75 3bfu h LEU 247 N 0.74 0.57 -0.34 2.25 3.38 -1.83 -1.06 115.31 119.02 3bfu h LEU 247 Ca 0.09 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3bfu h LEU 247 Cb 0.80 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3bfu h LEU 247 CO 0.07 0.70 -0.29 0.44 0.09 0.00 0.00 178.44 179.45 3bfu h ASP 248 N 0.55 0.84 -0.50 -0.43 3.32 -1.86 -2.03 116.42 116.31 3bfu h ASP 248 Ca 0.10 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3bfu h ASP 248 Cb 0.48 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3bfu h ASP 248 CO 0.03 1.12 0.28 0.50 -1.72 0.00 0.00 179.24 179.44 3bfu h LYS 249 N 0.57 0.70 -0.49 3.56 3.64 -1.14 -1.77 116.57 121.64 3bfu h LYS 249 Ca 0.06 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3bfu h LYS 249 Cb 0.86 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3bfu h LYS 249 CO 0.07 0.54 0.12 -0.07 -2.27 0.00 0.00 179.45 177.85 3bfu h LEU 250 N 0.67 0.68 -0.39 5.20 3.38 -1.11 -0.45 115.31 123.28 3bfu h LEU 250 Ca 0.18 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3bfu h LEU 250 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3bfu h LEU 250 CO -0.03 0.67 -0.27 0.50 0.09 0.00 0.00 178.44 179.40 3bfu h LYS 251 N 0.71 0.88 -0.75 1.13 3.64 -0.96 -1.97 116.57 119.26 3bfu h LYS 251 Ca 0.16 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 3bfu h LYS 251 Cb 0.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3bfu h LYS 251 CO -0.00 1.07 0.31 -0.91 -2.27 0.00 0.00 179.45 177.65 3bfu h ASN 252 N 0.69 1.02 0.30 4.20 2.35 -1.00 0.45 115.58 123.59 3bfu h ASN 252 Ca 0.08 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3bfu h ASN 252 Cb 0.85 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3bfu h ASN 252 CO 0.07 0.89 -0.14 0.50 -1.65 0.00 0.00 177.43 177.10 3bfu h LYS 253 N 1.09 -0.39 0.00 0.81 3.64 -0.88 0.56 116.57 121.40 3bfu h LYS 253 Ca 0.25 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3bfu h LYS 253 Cb 0.19 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3bfu h LYS 253 CO -0.02 -0.25 -0.39 0.91 -2.27 0.00 0.00 179.45 177.43 3bfu n TRP 254 N -5.26 0.56 -0.10 1.91 7.02 -0.76 -4.00 117.44 116.82 3bfu n TRP 254 Ca -0.10 0.16 -0.21 0.00 -1.02 0.00 0.00 57.50 56.33 3bfu n TRP 254 Cb 0.19 -0.68 -0.07 0.00 -2.42 0.00 0.00 31.31 28.32 3bfu n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3bfu n TRP 255 N -2.04 0.00 -0.04 -5.99 8.01 0.14 -4.87 117.44 112.65 3bfu n TRP 255 Ca 0.04 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.19 3bfu n TRP 255 Cb 0.42 -0.71 -0.06 0.00 -2.01 0.00 0.00 31.31 28.95 3bfu n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3bfu n TYR 256 N -3.86 0.00 -0.30 -5.99 4.01 -0.77 -4.26 117.16 105.99 3bfu n TYR 256 Ca -0.39 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.45 3bfu n TYR 256 Cb 0.78 -0.37 0.25 0.00 -0.31 0.00 0.00 39.34 39.69 3bfu n TYR 256 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3bfu h ASP 257 N 0.00 0.49 -0.23 7.72 3.32 -0.03 -2.05 116.42 125.64 3bfu h ASP 257 Ca -0.20 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 3bfu h ASP 257 Cb 1.45 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.96 3bfu h ASP 257 CO 0.01 0.16 -0.31 0.29 -1.72 0.00 0.00 179.24 177.66 3bfu n LYS 258 N -4.91 1.85 -1.64 3.56 5.02 -1.26 -5.04 118.16 115.73 3bfu n LYS 258 Ca 0.19 -3.32 -0.41 0.00 -2.02 0.00 0.00 58.31 52.75 3bfu n LYS 258 Cb 0.50 -1.76 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 3bfu n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 259 N -1.09 0.04 1.27 0.72 0.00 -0.77 -4.90 105.19 100.45 3bfu n GLY 259 Ca 0.28 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.56 3bfu n GLY 259 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bfu n GLU 260 N 0.14 3.24 -0.19 1.61 1.02 0.13 -4.42 120.64 122.18 3bfu n GLU 260 Ca 0.08 -2.66 0.09 0.00 -0.02 0.00 0.00 57.16 54.66 3bfu n GLU 260 Cb 0.39 -1.68 0.16 0.00 -0.02 0.00 0.00 31.44 30.29 3bfu n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bfu n GLY 262 N -1.34 -0.49 0.87 0.00 0.00 -1.26 -5.08 105.19 97.90 3bfu n GLY 262 Ca 0.17 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3bfu n GLY 262 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76