#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 2.01 -0.11 0.58 2.01 -1.26 -4.71 115.64 114.16 3bfu s THR 5 Ca 0.00 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.76 3bfu s THR 5 Cb 0.00 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 3bfu s THR 5 CO 0.00 0.00 0.80 -0.69 -0.69 0.00 0.00 174.62 174.04 3bfu s VAL 6 N 0.84 4.94 -0.36 3.82 1.01 0.95 -4.91 120.40 126.70 3bfu s VAL 6 Ca 0.72 1.61 -0.23 0.00 0.00 0.00 0.00 61.98 64.08 3bfu s VAL 6 Cb -0.49 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 31.77 3bfu s VAL 6 CO 0.37 0.12 0.76 -0.69 0.00 0.00 0.00 175.10 175.66 3bfu s VAL 7 N 1.53 4.76 -0.24 2.92 1.01 -1.26 -1.14 120.40 127.98 3bfu s VAL 7 Ca 0.40 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 3bfu s VAL 7 Cb -0.18 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 3bfu s VAL 7 CO 0.16 -0.42 0.16 -0.69 0.00 0.00 0.00 175.10 174.32 3bfu s VAL 8 N 3.04 5.36 -0.14 2.92 1.01 -0.14 -0.66 120.40 131.79 3bfu s VAL 8 Ca 0.30 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.40 3bfu s VAL 8 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3bfu s VAL 8 CO 0.17 0.35 0.14 0.28 0.00 0.00 0.00 175.10 176.04 3bfu s THR 9 N 1.00 5.48 0.29 3.92 -1.32 -0.04 -0.38 115.64 124.59 3bfu s THR 9 Ca 0.08 0.22 -0.03 0.00 -1.21 0.00 0.00 61.69 60.75 3bfu s THR 9 Cb -0.13 -3.42 0.01 0.00 -1.51 0.00 0.00 72.50 67.45 3bfu s THR 9 CO 0.04 0.57 0.43 1.07 -2.21 0.00 0.00 174.62 174.52 3bfu n THR 10 N 2.38 0.00 -4.18 5.08 5.66 -0.68 -2.63 114.28 119.91 3bfu n THR 10 Ca -0.19 -1.39 -0.16 0.00 -3.05 0.00 0.00 64.05 59.26 3bfu n THR 10 Cb 0.54 0.90 -0.13 0.00 -1.55 0.00 0.00 70.33 70.09 3bfu n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3bfu s ILE 11 N -2.69 0.64 -1.02 1.09 2.07 -1.26 -0.33 121.20 119.70 3bfu s ILE 11 Ca 0.23 -0.75 -0.23 0.00 -1.41 0.00 0.00 60.65 58.49 3bfu s ILE 11 Cb -0.01 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 41.98 3bfu s ILE 11 CO 0.16 -0.10 1.62 -0.76 -1.91 0.00 0.00 174.94 173.95 3bfu s LEU 12 N -0.93 3.43 -0.08 8.50 1.43 -1.26 -4.30 118.68 125.47 3bfu s LEU 12 Ca -0.03 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.72 3bfu s LEU 12 Cb -0.07 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.61 3bfu s LEU 12 CO 0.00 -1.85 0.00 -0.70 0.23 0.00 0.00 176.35 174.04 3bfu s GLU 13 N 5.48 0.61 0.29 1.70 2.56 -0.98 -4.99 118.70 123.37 3bfu s GLU 13 Ca 0.54 0.09 -0.29 0.00 0.00 0.00 0.00 54.97 55.31 3bfu s GLU 13 Cb -0.01 -1.01 -0.10 0.00 2.00 0.00 0.00 34.13 35.01 3bfu s GLU 13 CO -0.05 -0.31 1.10 -1.12 -0.56 0.00 0.00 175.26 174.31 3bfu s SER 14 N 1.97 7.23 -0.34 -1.70 0.01 -1.26 -0.35 113.70 119.26 3bfu s SER 14 Ca 0.05 2.26 0.09 0.00 1.31 0.00 0.00 55.95 59.66 3bfu s SER 14 Cb -0.12 -2.62 0.71 0.00 0.21 0.00 0.00 66.02 64.19 3bfu s SER 14 CO -0.05 -0.17 1.79 -0.81 0.41 0.00 0.00 173.24 174.41 3bfu n PRO 15 N 1.09 3.33 -0.02 12.44 -0.04 -1.26 -4.93 135.00 145.61 3bfu n PRO 15 Ca -0.01 -3.08 -0.13 0.00 -0.04 0.00 0.00 63.50 60.24 3bfu n PRO 15 Cb 0.45 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 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 2.25 -0.02 -3.22 0.54 0.05 -1.02 0.71 116.97 116.25 3bfu h TYR 16 Ca 0.31 -0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.81 3bfu h TYR 16 Cb 2.35 0.01 -0.34 0.00 1.01 0.00 0.00 36.73 39.75 3bfu h TYR 16 CO 1.29 0.59 -0.64 0.08 -1.05 0.00 0.00 178.16 178.43 3bfu s VAL 17 N -3.64 -0.14 0.01 -2.88 1.01 -0.56 -1.00 120.40 113.21 3bfu s VAL 17 Ca -0.16 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 3bfu s VAL 17 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 3bfu s VAL 17 CO 0.66 0.12 0.05 -0.04 0.00 0.00 0.00 175.10 175.88 3bfu s MET 18 N 1.70 0.40 0.02 2.72 -1.94 0.40 -2.32 119.30 120.27 3bfu s MET 18 Ca -0.03 -0.52 -0.30 0.00 -1.71 0.00 0.00 55.69 53.13 3bfu s MET 18 Cb -0.12 0.16 -0.05 0.00 2.01 0.00 0.00 34.83 36.82 3bfu s MET 18 CO -0.05 -0.08 1.33 -1.64 -0.01 0.00 0.00 175.02 174.57 3bfu s MET 19 N -1.46 4.32 0.63 2.03 -1.94 -1.26 -1.49 119.30 120.14 3bfu s MET 19 Ca -0.15 1.90 -0.18 0.00 -1.71 0.00 0.00 55.69 55.55 3bfu s MET 19 Cb -0.09 -3.49 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 3bfu s MET 19 CO 0.00 -0.48 1.22 0.15 -0.01 0.00 0.00 175.02 175.90 3bfu s LYS 20 N 1.97 2.71 0.26 2.03 1.02 -0.40 -4.90 119.74 122.43 3bfu s LYS 20 Ca 0.62 1.84 -0.01 0.00 0.02 0.00 0.00 55.97 58.44 3bfu s LYS 20 Cb -0.31 -1.89 0.54 0.00 -0.52 0.00 0.00 37.83 35.65 3bfu s LYS 20 CO 0.27 -1.41 1.74 -0.22 -0.92 0.00 0.00 175.35 174.80 3bfu h LYS 21 N 0.55 0.49 -0.88 1.68 3.64 -1.94 -1.77 116.57 118.34 3bfu h LYS 21 Ca -0.50 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.29 3bfu h LYS 21 Cb 1.30 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 32.72 3bfu h LYS 21 CO 0.54 0.32 0.45 0.09 -2.27 0.00 0.00 179.45 178.58 3bfu n ASN 22 N -4.96 5.74 -0.20 4.20 3.02 -1.26 -4.73 115.26 117.06 3bfu n ASN 22 Ca 0.17 -3.75 0.02 0.00 -0.03 0.00 0.00 54.58 50.99 3bfu n ASN 22 Cb 0.47 -0.81 0.27 0.00 -0.61 0.00 0.00 39.78 39.10 3bfu n ASN 22 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 3bfu h HIS 23 N 1.68 0.90 0.00 3.10 2.07 -1.61 -2.11 115.15 119.18 3bfu h HIS 23 Ca 0.53 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 58.07 3bfu h HIS 23 Cb 1.49 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3bfu h HIS 23 CO 1.34 0.54 0.00 1.05 -3.07 0.00 0.00 177.93 177.79 3bfu h GLU 24 N 0.95 0.00 -0.70 5.12 4.11 -1.85 0.31 114.58 122.52 3bfu h GLU 24 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3bfu h GLU 24 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3bfu h GLU 24 CO -0.07 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.68 3bfu n MET 25 N -2.95 3.08 -4.56 1.06 2.81 -0.80 -4.95 117.12 110.81 3bfu n MET 25 Ca -0.02 -2.73 -0.26 0.00 -1.81 0.00 0.00 57.70 52.88 3bfu n MET 25 Cb 0.12 -1.67 -0.11 0.00 -0.71 0.00 0.00 33.22 30.85 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 -1.29 2.59 0.07 4.03 1.43 0.11 -5.14 118.68 120.48 3bfu s LEU 26 Ca 0.49 -1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 3bfu s LEU 26 Cb 0.28 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.79 3bfu s LEU 26 CO 0.30 -0.53 0.11 -1.61 0.23 0.00 0.00 176.35 174.86 3bfu s GLU 27 N -3.78 0.73 4.99 1.70 2.02 -1.26 -4.86 118.70 118.24 3bfu s GLU 27 Ca 0.34 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3bfu s GLU 27 Cb 0.09 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.61 3bfu s GLU 27 CO 0.17 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3bfu n GLY 28 N 0.15 1.97 0.31 -1.39 0.00 -1.26 -2.52 105.19 102.45 3bfu n GLY 28 Ca -0.16 -0.51 0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 9.48 0.00 0.42 1.61 2.35 -1.92 -2.30 115.58 125.22 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 0.01 0.00 -0.62 -1.65 0.00 0.00 177.43 175.17 3bfu n GLU 30 N -3.20 0.02 0.20 0.81 -0.58 -1.05 -2.44 120.64 114.41 3bfu n GLU 30 Ca -0.02 0.27 0.14 0.00 -0.42 0.00 0.00 57.16 57.13 3bfu n GLU 30 Cb 0.15 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 29.90 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 -6.15 3.49 3.08 -1.53 -3.45 114.38 109.83 3bfu h ARG 31 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3bfu h ARG 31 Cb 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.15 3bfu h ARG 31 CO 0.00 0.00 -0.67 0.71 -1.07 0.00 0.00 179.97 178.94 3bfu s TYR 32 N -3.32 2.53 0.09 3.04 2.02 -1.02 -1.28 117.35 119.40 3bfu s TYR 32 Ca 0.06 -0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 3bfu s TYR 32 Cb 0.08 -1.22 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3bfu s TYR 32 CO 0.59 0.61 0.37 -1.83 -1.57 0.00 0.00 175.55 173.72 3bfu s GLU 33 N -3.64 0.97 0.00 -0.62 -1.05 -0.55 -4.83 118.70 108.98 3bfu s GLU 33 Ca 0.32 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 3bfu s GLU 33 Cb -0.04 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3bfu s GLU 33 CO 0.18 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.45 3bfu n GLY 34 N 0.12 1.91 0.18 -3.83 0.00 -1.26 -0.46 105.19 101.85 3bfu n GLY 34 Ca -0.17 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.01 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 0.03 0.00 1.61 3.20 -0.21 -1.89 116.97 119.71 3bfu h TYR 35 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3bfu h TYR 35 Cb 0.00 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3bfu h TYR 35 CO 0.00 -0.06 -0.06 0.00 -1.64 0.00 0.00 178.16 176.40 3bfu h VAL 37 N 0.00 1.31 -0.37 0.00 2.07 -1.38 -0.22 116.25 117.65 3bfu h VAL 37 Ca -0.00 -1.70 -0.15 0.00 0.82 0.00 0.00 66.70 65.67 3bfu h VAL 37 Cb 0.85 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3bfu h VAL 37 CO 0.01 0.54 -0.34 0.44 0.02 0.00 0.00 177.57 178.23 3bfu h ASP 38 N 0.43 0.95 -0.45 0.57 3.32 -1.27 -2.56 116.42 117.41 3bfu h ASP 38 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3bfu h ASP 38 Cb 1.09 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3bfu h ASP 38 CO 0.11 1.21 0.10 0.25 -1.72 0.00 0.00 179.24 179.19 3bfu h LEU 39 N 0.70 0.74 -0.61 1.55 5.85 -1.19 -1.48 115.31 120.86 3bfu h LEU 39 Ca 0.06 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3bfu h LEU 39 Cb 0.93 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3bfu h LEU 39 CO 0.09 0.75 0.33 0.00 -0.34 0.00 0.00 178.44 179.26 3bfu h ALA 40 N 1.35 0.79 -0.33 1.25 0.00 -0.88 -0.56 119.26 120.88 3bfu h ALA 40 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3bfu h ALA 40 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3bfu h ALA 40 CO 0.00 0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.74 3bfu h ALA 41 N 1.15 0.42 -0.21 0.00 0.00 -0.98 -1.42 119.26 118.22 3bfu h ALA 41 Ca 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3bfu h ALA 41 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3bfu h ALA 41 CO -0.03 -0.05 0.11 0.93 0.00 0.00 0.00 179.25 180.21 3bfu h GLU 42 N 0.41 0.30 -0.62 0.00 4.39 -0.99 -1.29 114.58 116.77 3bfu h GLU 42 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3bfu h GLU 42 Cb 0.07 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3bfu h GLU 42 CO -0.02 0.29 0.35 0.82 -1.16 0.00 0.00 179.01 179.30 3bfu h ILE 43 N 0.23 1.19 -0.37 3.13 1.08 -1.01 -0.82 117.51 120.94 3bfu h ILE 43 Ca 0.07 -0.46 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 3bfu h ILE 43 Cb 0.08 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 3bfu h ILE 43 CO -0.01 0.20 -0.01 0.00 -0.69 0.00 0.00 178.15 177.64 3bfu h ALA 44 N 1.17 1.28 -0.05 1.87 0.00 -1.15 0.23 119.26 122.61 3bfu h ALA 44 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bfu h ALA 44 Cb 0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3bfu h ALA 44 CO -0.04 0.48 0.01 -0.22 0.00 0.00 0.00 179.25 179.49 3bfu h LYS 45 N 0.57 0.07 0.00 0.00 3.64 -0.67 0.04 116.57 120.22 3bfu h LYS 45 Ca 0.12 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3bfu h LYS 45 Cb 0.38 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3bfu h LYS 45 CO 0.01 0.30 -0.28 0.45 -2.27 0.00 0.00 179.45 177.66 3bfu h HIS 46 N -0.16 0.00 -0.01 1.91 3.86 -0.91 -3.12 115.15 116.72 3bfu h HIS 46 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3bfu h HIS 46 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3bfu h HIS 46 CO 0.01 0.28 -0.50 0.00 0.86 0.00 0.00 177.93 178.58 3bfu n GLY 48 N 1.42 -0.99 3.24 0.00 0.00 -0.05 -5.04 105.19 103.77 3bfu n GLY 48 Ca 0.09 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.35 -0.08 0.19 1.61 -0.12 -0.88 -5.06 117.98 110.29 3bfu s PHE 49 Ca 0.42 -0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.17 3bfu s PHE 49 Cb -0.05 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 3bfu s PHE 49 CO 0.68 -0.50 0.42 0.15 -0.05 0.00 0.00 175.22 175.92 3bfu s LYS 50 N -2.65 3.61 0.06 1.99 1.02 -1.26 -4.67 119.74 117.83 3bfu s LYS 50 Ca -0.04 -0.12 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 3bfu s LYS 50 Cb -0.01 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3bfu s LYS 50 CO -0.04 0.39 0.26 1.52 -0.92 0.00 0.00 175.35 176.56 3bfu s TYR 51 N -1.81 -0.01 -0.11 3.18 -0.85 -1.26 -0.03 117.35 116.46 3bfu s TYR 51 Ca 0.41 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.74 3bfu s TYR 51 Cb -0.11 0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.28 3bfu s TYR 51 CO 0.27 -0.52 -0.19 0.21 -1.52 0.00 0.00 175.55 173.79 3bfu s LYS 52 N -3.06 2.63 0.06 -3.49 2.20 -0.30 -4.89 119.74 112.90 3bfu s LYS 52 Ca -0.01 -0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 54.62 3bfu s LYS 52 Cb 0.01 -2.12 -0.06 0.00 -1.51 0.00 0.00 37.83 34.15 3bfu s LYS 52 CO -0.07 0.02 0.79 -0.51 -0.36 0.00 0.00 175.35 175.22 3bfu s LEU 53 N 0.75 4.47 -0.05 5.43 1.43 -1.26 -0.96 118.68 128.49 3bfu s LEU 53 Ca -0.10 1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3bfu s LEU 53 Cb -0.16 -3.27 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3bfu s LEU 53 CO 0.01 0.02 0.02 0.42 0.23 0.00 0.00 176.35 177.05 3bfu s THR 54 N -0.15 0.17 0.01 5.49 -4.23 0.49 -4.85 115.64 112.57 3bfu s THR 54 Ca 0.39 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.79 3bfu s THR 54 Cb -0.21 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.25 3bfu s THR 54 CO 0.24 0.19 1.31 -0.63 -0.54 0.00 0.00 174.62 175.19 3bfu s ILE 55 N 1.64 3.87 0.16 2.99 -1.09 -1.26 -1.68 121.20 125.83 3bfu s ILE 55 Ca -0.01 1.28 -0.34 0.00 -2.23 0.00 0.00 60.65 59.35 3bfu s ILE 55 Cb -0.13 -3.82 -0.15 0.00 -1.58 0.00 0.00 42.46 36.78 3bfu s ILE 55 CO -0.03 0.03 1.41 0.55 -1.23 0.00 0.00 174.94 175.67 3bfu n VAL 56 N 4.43 0.35 -0.06 2.92 3.14 0.56 -4.88 118.33 124.79 3bfu n VAL 56 Ca 0.12 -0.09 -0.09 0.00 -2.96 0.00 0.00 64.34 61.32 3bfu n VAL 56 Cb 0.45 -1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 31.98 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 4.76 -0.35 1.00 7.55 0.00 -1.91 -2.47 103.07 111.65 3bfu h GLY 57 Ca -0.45 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3bfu h GLY 57 CO 0.80 -0.21 -0.01 2.09 0.00 0.00 0.00 176.54 179.21 3bfu n ASP 58 N -5.41 0.14 -1.54 0.19 5.68 -1.26 -4.91 116.55 109.44 3bfu n ASP 58 Ca -0.01 -0.83 -0.17 0.00 -0.50 0.00 0.00 54.79 53.28 3bfu n ASP 58 Cb 0.33 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.20 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 1.09 0.79 3.65 6.12 0.00 -0.93 -4.99 105.19 110.92 3bfu n GLY 59 Ca 0.21 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.03 2.34 -0.07 1.61 1.02 -1.26 -4.98 119.74 114.36 3bfu s LYS 60 Ca 0.00 -1.31 -0.16 0.00 0.02 0.00 0.00 55.97 54.52 3bfu s LYS 60 Cb 0.00 -2.23 -0.12 0.00 -0.52 0.00 0.00 37.83 34.96 3bfu s LYS 60 CO 0.00 0.40 0.61 1.88 -0.92 0.00 0.00 175.35 177.32 3bfu h TYR 61 N 2.16 -0.20 0.00 3.18 0.05 -1.92 -2.23 116.97 118.01 3bfu h TYR 61 Ca -0.45 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3bfu h TYR 61 Cb 1.23 0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.04 3bfu h TYR 61 CO 0.66 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.33 3bfu n GLY 62 N 0.94 2.74 3.28 3.88 0.00 -1.26 -0.86 105.19 113.92 3bfu n GLY 62 Ca -0.06 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.83 -0.22 4.61 0.00 -1.25 -4.66 121.76 119.41 3bfu s ALA 63 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 3bfu s ALA 63 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 3bfu s ALA 63 CO 0.00 -0.43 0.12 0.50 0.00 0.00 0.00 175.76 175.95 3bfu s ARG 64 N -2.48 4.02 -0.15 0.00 3.52 -1.26 -1.01 118.95 121.59 3bfu s ARG 64 Ca -0.05 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 54.95 3bfu s ARG 64 Cb -0.01 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 3bfu s ARG 64 CO -0.03 0.13 1.77 0.34 -0.81 0.00 0.00 175.30 176.70 3bfu s ASP 65 N 0.82 6.31 0.00 -2.12 2.15 -0.40 -4.83 116.67 118.59 3bfu s ASP 65 Ca 0.06 1.95 0.00 0.00 0.43 0.00 0.00 52.55 54.99 3bfu s ASP 65 Cb -0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3bfu s ASP 65 CO 0.02 -1.26 0.83 0.00 -0.17 0.00 0.00 175.17 174.59 3bfu n ALA 66 N 8.51 1.04 -0.03 3.66 0.00 -1.26 0.29 120.51 132.71 3bfu n ALA 66 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 3bfu n ALA 66 Cb 0.44 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 3bfu n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bfu n ASP 67 N -1.33 1.56 0.11 0.00 8.00 -1.26 -4.68 116.55 118.95 3bfu n ASP 67 Ca 0.00 0.25 0.13 0.00 0.71 0.00 0.00 54.79 55.88 3bfu n ASP 67 Cb 0.03 -0.57 0.38 0.00 -0.02 0.00 0.00 41.12 40.94 3bfu n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3bfu h THR 68 N -0.59 0.00 -1.22 -3.53 1.35 -1.97 -3.47 112.91 103.49 3bfu h THR 68 Ca 0.00 -0.51 -0.32 0.00 -0.55 0.00 0.00 66.41 65.03 3bfu h THR 68 Cb 0.59 1.49 -0.09 0.00 -1.73 0.00 0.00 68.15 68.41 3bfu h THR 68 CO 0.00 0.00 -0.33 0.29 -0.25 0.00 0.00 175.52 175.23 3bfu n LYS 69 N -2.31 -1.15 -3.37 4.72 4.76 0.14 -4.99 118.16 115.97 3bfu n LYS 69 Ca 0.05 0.97 -0.38 0.00 -2.87 0.00 0.00 58.31 56.08 3bfu n LYS 69 Cb 0.44 -5.20 -0.06 0.00 -1.84 0.00 0.00 35.03 28.37 3bfu n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bfu s ILE 70 N -2.65 5.17 0.08 -0.18 1.01 -1.25 -4.71 121.20 118.67 3bfu s ILE 70 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 60.65 61.30 3bfu s ILE 70 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.63 3bfu s ILE 70 CO 0.00 0.38 0.73 0.26 0.00 0.00 0.00 174.94 176.31 3bfu s TRP 71 N 0.32 3.78 0.00 3.97 0.52 -1.26 -1.28 118.94 125.00 3bfu s TRP 71 Ca 0.24 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.83 3bfu s TRP 71 Cb -0.15 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 3bfu s TRP 71 CO 0.10 0.38 0.00 0.27 0.02 0.00 0.00 176.95 177.72 3bfu n ASN 72 N 2.36 0.86 -0.05 2.95 0.23 -0.18 -4.19 115.26 117.24 3bfu n ASN 72 Ca -0.05 -0.89 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3bfu n ASN 72 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 5.00 0.81 0.27 4.83 0.00 -1.26 -1.41 105.19 113.44 3bfu n GLY 73 Ca 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 0.51 -0.36 1.61 2.86 -0.35 -2.32 114.93 116.88 3bfu h MET 74 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3bfu h MET 74 Cb 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3bfu h MET 74 CO 0.00 0.52 0.24 0.28 1.06 0.00 0.00 176.91 179.01 3bfu h VAL 75 N 0.50 1.09 -0.81 -2.22 2.07 -1.54 -2.21 116.25 113.12 3bfu h VAL 75 Ca 0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3bfu h VAL 75 Cb 0.28 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3bfu h VAL 75 CO 0.01 0.09 0.53 1.23 0.02 0.00 0.00 177.57 179.45 3bfu h GLY 76 N 0.49 1.15 0.58 2.17 0.00 -0.80 0.80 103.07 107.46 3bfu h GLY 76 Ca 0.13 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.13 3bfu h GLY 76 CO -0.03 0.40 0.55 0.83 0.00 0.00 0.00 176.54 178.30 3bfu h GLU 77 N 1.08 0.91 -0.01 4.80 4.39 -0.90 0.21 114.58 125.07 3bfu h GLU 77 Ca 0.30 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 3bfu h GLU 77 Cb -0.10 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.35 3bfu h GLU 77 CO -0.07 0.60 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.10 3bfu h LEU 78 N 0.93 0.20 -1.09 1.33 3.38 -0.84 0.54 115.31 119.77 3bfu h LEU 78 Ca 0.43 -0.75 0.07 0.00 0.09 0.00 0.00 57.88 57.72 3bfu h LEU 78 Cb 0.33 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3bfu h LEU 78 CO -0.23 0.92 0.62 0.58 0.09 0.00 0.00 178.44 180.42 3bfu h VAL 79 N -0.50 1.05 -0.24 1.22 2.07 -0.52 -2.12 116.25 117.21 3bfu h VAL 79 Ca -0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3bfu h VAL 79 Cb 0.94 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3bfu h VAL 79 CO 0.04 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.61 3bfu n TYR 80 N -4.51 0.31 -1.04 1.57 4.01 0.03 -4.95 117.16 112.58 3bfu n TYR 80 Ca 0.15 -0.16 -0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3bfu n TYR 80 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.26 0.50 0.18 2.72 0.00 -0.80 -4.94 105.19 104.11 3bfu n GLY 81 Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 0.11 0.00 -4.30 1.61 1.79 -0.18 -3.46 116.57 112.13 3bfu h LYS 82 Ca -0.03 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 3bfu h LYS 82 Cb 0.11 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.56 3bfu h LYS 82 CO 0.04 0.30 -0.71 0.00 -1.08 0.00 0.00 179.45 178.00 3bfu s ALA 83 N -3.10 0.42 -0.40 3.86 0.00 -0.92 -4.99 121.76 116.64 3bfu s ALA 83 Ca 0.05 -0.80 0.23 0.00 0.00 0.00 0.00 51.96 51.44 3bfu s ALA 83 Cb 0.07 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3bfu s ALA 83 CO 0.71 -0.13 1.00 -0.25 0.00 0.00 0.00 175.76 177.09 3bfu n ASP 84 N 1.23 0.63 -3.55 0.00 8.00 0.16 -4.43 116.55 118.60 3bfu n ASP 84 Ca -0.21 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.23 3bfu n ASP 84 Cb 0.56 0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 42.34 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 -3.30 0.00 -0.17 0.53 2.07 -1.09 -4.32 121.20 114.92 3bfu s ILE 85 Ca 0.01 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3bfu s ILE 85 Cb 0.12 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.73 3bfu s ILE 85 CO 0.80 0.00 -0.20 0.00 -1.91 0.00 0.00 174.94 173.63 3bfu s ALA 86 N -1.39 2.31 -0.45 1.50 0.00 0.44 -0.86 121.76 123.30 3bfu s ALA 86 Ca -0.03 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3bfu s ALA 86 Cb -0.00 -1.13 0.12 0.00 0.00 0.00 0.00 23.12 22.10 3bfu s ALA 86 CO 0.02 -0.27 0.19 0.42 0.00 0.00 0.00 175.76 176.12 3bfu s ILE 87 N 1.18 2.64 0.23 0.00 1.01 -1.08 -2.11 121.20 123.06 3bfu s ILE 87 Ca 0.02 -2.83 -0.22 0.00 0.00 0.00 0.00 60.65 57.63 3bfu s ILE 87 Cb -0.14 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.54 3bfu s ILE 87 CO -0.10 -0.72 0.93 0.00 0.00 0.00 0.00 174.94 175.04 3bfu s ALA 88 N 0.29 -1.40 -1.30 9.38 0.00 -1.26 -4.68 121.76 122.78 3bfu s ALA 88 Ca 0.14 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 3bfu s ALA 88 Cb -0.23 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 3bfu s ALA 88 CO -0.04 -1.04 2.42 -0.35 0.00 0.00 0.00 175.76 176.76 3bfu n PRO 89 N -0.57 2.79 -3.19 0.00 -0.04 -1.26 -4.67 135.00 128.06 3bfu n PRO 89 Ca -0.05 -2.10 -0.42 0.00 -0.04 0.00 0.00 63.50 60.90 3bfu n PRO 89 Cb 0.60 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 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 0.86 4.36 0.18 1.53 2.96 -1.26 -5.00 118.68 122.31 3bfu s LEU 90 Ca 0.55 -0.04 -0.31 0.00 -0.22 0.00 0.00 54.13 54.11 3bfu s LEU 90 Cb 0.15 -2.65 -0.09 0.00 0.50 0.00 0.00 46.19 44.09 3bfu s LEU 90 CO -0.04 -0.55 1.44 -0.89 -1.32 0.00 0.00 176.35 174.99 3bfu s THR 91 N 2.53 2.91 -0.28 3.68 2.01 -1.26 -2.00 115.64 123.23 3bfu s THR 91 Ca 0.21 0.70 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 3bfu s THR 91 Cb -0.15 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.92 3bfu s THR 91 CO 0.14 0.08 1.19 -0.63 -0.69 0.00 0.00 174.62 174.72 3bfu s ILE 92 N 0.62 4.34 0.09 1.82 1.01 -0.08 -4.89 121.20 124.11 3bfu s ILE 92 Ca 0.63 1.56 0.03 0.00 0.00 0.00 0.00 60.65 62.86 3bfu s ILE 92 Cb -0.40 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 3bfu s ILE 92 CO 0.36 -0.39 -0.08 0.42 0.00 0.00 0.00 174.94 175.24 3bfu s THR 93 N 3.86 0.78 0.12 2.92 -4.23 -1.26 -4.71 115.64 113.13 3bfu s THR 93 Ca 0.51 -1.70 -0.24 0.00 -1.18 0.00 0.00 61.69 59.08 3bfu s THR 93 Cb -0.16 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 3bfu s THR 93 CO 0.17 -0.68 1.66 0.25 -0.54 0.00 0.00 174.62 175.48 3bfu h LEU 94 N 3.41 -0.55 -1.53 4.79 5.85 -1.99 -0.56 115.31 124.73 3bfu h LEU 94 Ca -0.36 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.48 3bfu h LEU 94 Cb 1.18 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 3bfu h LEU 94 CO 0.57 -0.24 0.36 -0.37 -0.34 0.00 0.00 178.44 178.41 3bfu h VAL 95 N -0.27 1.05 -0.06 1.05 -1.51 -2.00 -1.94 116.25 112.56 3bfu h VAL 95 Ca 0.07 -0.21 -0.25 0.00 -1.23 0.00 0.00 66.70 65.09 3bfu h VAL 95 Cb 0.37 0.40 0.02 0.00 -2.13 0.00 0.00 31.29 29.95 3bfu h VAL 95 CO -0.21 0.11 -0.93 0.03 -1.23 0.00 0.00 177.57 175.34 3bfu h ARG 96 N 0.60 0.73 -0.10 5.19 3.08 -1.86 -3.09 114.38 118.94 3bfu h ARG 96 Ca 0.22 -0.70 0.03 0.00 0.07 0.00 0.00 59.98 59.59 3bfu h ARG 96 Cb 0.12 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3bfu h ARG 96 CO -0.06 1.29 0.10 0.93 -1.07 0.00 0.00 179.97 181.16 3bfu h GLU 97 N 0.45 0.00 0.00 0.04 4.39 -0.38 0.51 114.58 119.60 3bfu h GLU 97 Ca -0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3bfu h GLU 97 Cb 1.57 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 3bfu h GLU 97 CO 0.19 0.00 -0.14 0.93 -1.16 0.00 0.00 179.01 178.83 3bfu h GLU 98 N 0.00 0.00 0.00 2.33 5.08 -1.32 -3.34 114.58 117.34 3bfu h GLU 98 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bfu h GLU 98 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3bfu h GLU 98 CO -0.00 0.14 -1.26 1.33 -1.00 0.00 0.00 179.01 178.22 3bfu n VAL 99 N -3.26 0.03 -4.19 3.13 0.24 -0.28 -5.07 118.33 108.94 3bfu n VAL 99 Ca 0.01 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3bfu n VAL 99 Cb 0.41 0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 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 -2.35 0.31 0.15 1.34 -4.36 0.01 -4.24 121.20 112.06 3bfu s ILE 100 Ca -0.02 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.39 3bfu s ILE 100 Cb 0.03 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.58 3bfu s ILE 100 CO 0.22 -0.44 0.37 -1.81 0.24 0.00 0.00 174.94 173.53 3bfu s ASP 101 N -3.11 6.47 -0.01 4.36 1.01 -0.26 -4.24 116.67 120.90 3bfu s ASP 101 Ca 0.25 0.54 0.03 0.00 0.71 0.00 0.00 52.55 54.09 3bfu s ASP 101 Cb 0.07 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 3bfu s ASP 101 CO 0.03 0.04 -0.10 -0.36 0.21 0.00 0.00 175.17 174.99 3bfu s PHE 102 N -1.68 0.94 0.80 4.23 0.08 -1.26 -1.73 117.98 119.35 3bfu s PHE 102 Ca 0.40 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.15 3bfu s PHE 102 Cb -0.12 -0.61 0.07 0.00 -0.57 0.00 0.00 43.02 41.79 3bfu s PHE 102 CO 0.26 -0.02 1.15 -1.54 -0.10 0.00 0.00 175.22 174.97 3bfu s SER 103 N -0.23 4.62 0.82 1.36 1.04 -0.49 -4.94 113.70 115.88 3bfu s SER 103 Ca 0.04 0.92 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 3bfu s SER 103 Cb -0.04 -1.51 0.09 0.00 0.10 0.00 0.00 66.02 64.66 3bfu s SER 103 CO -0.00 -1.85 1.18 -0.54 0.98 0.00 0.00 173.24 173.01 3bfu s LYS 104 N -5.47 1.57 0.34 4.02 -0.14 -1.26 -4.49 119.74 114.32 3bfu s LYS 104 Ca 0.61 1.67 -0.29 0.00 -1.36 0.00 0.00 55.97 56.61 3bfu s LYS 104 Cb -0.12 -1.78 -0.11 0.00 -1.68 0.00 0.00 37.83 34.14 3bfu s LYS 104 CO 0.50 -2.25 1.51 -0.35 -0.76 0.00 0.00 175.35 174.01 3bfu n PRO 105 N -3.48 2.64 0.00 -1.68 -0.04 -1.26 -4.62 135.00 126.56 3bfu n PRO 105 Ca 0.13 0.93 0.09 0.00 -0.04 0.00 0.00 63.50 64.61 3bfu n PRO 105 Cb 0.51 -2.67 0.03 0.00 -0.04 0.00 0.00 33.50 31.34 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 1.05 0.00 -3.63 0.54 1.16 -0.57 -4.93 117.46 111.08 3bfu n PHE 106 Ca 0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 3bfu n PHE 106 Cb 0.38 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.18 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 -1.86 0.75 0.05 3.97 0.00 -1.26 -5.00 119.30 115.96 3bfu s MET 107 Ca 0.18 1.02 -0.01 0.00 0.00 0.00 0.00 55.69 56.88 3bfu s MET 107 Cb 0.15 0.30 -0.04 0.00 0.00 0.00 0.00 34.83 35.24 3bfu s MET 107 CO 0.36 -0.11 0.21 -1.12 0.00 0.00 0.00 175.02 174.36 3bfu s SER 108 N 0.78 6.37 0.31 1.11 0.01 -1.26 -1.85 113.70 119.17 3bfu s SER 108 Ca -0.03 0.29 -0.15 0.00 1.31 0.00 0.00 55.95 57.38 3bfu s SER 108 Cb -0.05 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.27 3bfu s SER 108 CO -0.07 0.18 0.75 0.00 0.41 0.00 0.00 173.24 174.52 3bfu n LEU 109 N 0.38 0.00 -3.52 2.44 -0.00 0.03 -4.86 117.00 111.47 3bfu n LEU 109 Ca -0.06 -2.10 -0.13 0.00 -0.00 0.00 0.00 56.01 53.72 3bfu n LEU 109 Cb 0.51 3.24 -0.04 0.00 -0.00 0.00 0.00 43.42 47.13 3bfu n LEU 109 CO 0.51 -0.70 0.58 -0.83 -0.00 0.00 0.00 177.39 176.95 3bfu s GLY 110 N -2.94 -0.47 0.31 1.47 0.00 -1.26 -0.45 107.32 103.98 3bfu s GLY 110 Ca 0.16 1.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.95 3bfu s GLY 110 CO 0.09 0.76 1.41 -0.42 0.00 0.00 0.00 173.10 174.94 3bfu s ILE 111 N -1.87 2.50 0.32 0.90 1.01 -1.26 0.14 121.20 122.94 3bfu s ILE 111 Ca -0.04 0.47 0.06 0.00 0.00 0.00 0.00 60.65 61.15 3bfu s ILE 111 Cb -0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3bfu s ILE 111 CO 0.01 0.10 0.26 -0.94 0.00 0.00 0.00 174.94 174.37 3bfu s SER 112 N -0.09 1.56 -0.12 3.58 1.04 0.14 -0.26 113.70 119.55 3bfu s SER 112 Ca 0.54 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3bfu s SER 112 Cb -0.42 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 3bfu s SER 112 CO 0.52 -1.04 -0.13 -0.63 0.98 0.00 0.00 173.24 172.95 3bfu s ILE 113 N -3.51 3.08 -0.15 -1.02 1.01 -1.26 -1.90 121.20 117.44 3bfu s ILE 113 Ca 0.40 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3bfu s ILE 113 Cb 0.03 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 3bfu s ILE 113 CO 0.26 0.53 -0.09 -0.32 0.00 0.00 0.00 174.94 175.32 3bfu s MET 114 N 0.26 3.47 0.17 2.79 -2.45 0.10 -2.15 119.30 121.50 3bfu s MET 114 Ca -0.09 -0.63 0.06 0.00 -1.25 0.00 0.00 55.69 53.79 3bfu s MET 114 Cb -0.15 -2.78 -0.05 0.00 1.25 0.00 0.00 34.83 33.10 3bfu s MET 114 CO 0.05 0.15 -0.12 0.96 1.05 0.00 0.00 175.02 177.11 3bfu s ILE 115 N 0.56 1.46 0.23 10.11 -4.36 -0.55 -0.94 121.20 127.70 3bfu s ILE 115 Ca -0.06 -2.12 -0.30 0.00 -0.26 0.00 0.00 60.65 57.91 3bfu s ILE 115 Cb -0.15 -1.93 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 3bfu s ILE 115 CO 0.03 -0.66 0.95 -0.75 0.24 0.00 0.00 174.94 174.75 3bfu s LYS 116 N -3.64 4.84 0.17 0.37 2.20 -1.26 -1.17 119.74 121.24 3bfu s LYS 116 Ca 0.19 1.49 -0.33 0.00 -0.36 0.00 0.00 55.97 56.97 3bfu s LYS 116 Cb 0.01 -3.29 -0.15 0.00 -1.51 0.00 0.00 37.83 32.88 3bfu s LYS 116 CO 0.04 0.48 1.23 1.63 -0.36 0.00 0.00 175.35 178.36 3bfu n LYS 117 N 1.62 1.31 0.00 4.03 5.02 0.98 -2.13 118.16 128.99 3bfu n LYS 117 Ca -0.02 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3bfu n LYS 117 Cb 0.47 -2.01 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 2.13 2.60 3.74 0.72 0.00 -1.26 -5.00 105.19 108.11 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 -0.51 0.00 0.00 0.00 173.32 172.81 3bfu s THR 119 N -2.73 2.63 -1.18 2.61 -4.23 -0.90 -4.87 115.64 106.97 3bfu s THR 119 Ca 0.00 0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 3bfu s THR 119 Cb 0.00 -3.32 -0.08 0.00 1.34 0.00 0.00 72.50 70.43 3bfu s THR 119 CO 0.00 0.07 2.57 -0.81 -0.54 0.00 0.00 174.62 175.90 3bfu n PRO 120 N 2.79 2.79 -4.30 3.99 -0.04 -1.26 -4.83 135.00 134.14 3bfu n PRO 120 Ca 0.09 -1.75 -0.20 0.00 -0.04 0.00 0.00 63.50 61.60 3bfu n PRO 120 Cb 0.40 -2.57 -0.16 0.00 -0.04 0.00 0.00 33.50 31.13 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 2.69 0.70 0.00 0.52 -1.09 -1.26 -5.02 121.20 117.74 3bfu s ILE 121 Ca 0.54 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 3bfu s ILE 121 Cb 0.15 -0.66 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 3bfu s ILE 121 CO -0.04 0.24 0.00 -0.62 -1.23 0.00 0.00 174.94 173.29 3bfu n GLU 122 N 3.68 1.25 -4.05 2.79 1.02 -1.26 -4.92 120.64 119.15 3bfu n GLU 122 Ca -0.22 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 3bfu n GLU 122 Cb 0.52 -0.95 -0.06 0.00 -0.02 0.00 0.00 31.44 30.93 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 -2.05 0.21 0.32 1.62 1.04 -1.26 -2.62 113.70 110.97 3bfu s SER 123 Ca 0.00 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.32 3bfu s SER 123 Cb 0.00 0.58 0.56 0.00 0.10 0.00 0.00 66.02 67.25 3bfu s SER 123 CO 0.00 -1.14 1.82 0.00 0.98 0.00 0.00 173.24 174.90 3bfu h ALA 124 N 2.28 1.29 -0.64 5.32 0.00 -1.93 -2.12 119.26 123.45 3bfu h ALA 124 Ca -0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3bfu h ALA 124 Cb 1.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3bfu h ALA 124 CO 0.39 0.47 0.29 1.49 0.00 0.00 0.00 179.25 181.90 3bfu h GLU 125 N 0.42 0.94 -0.32 0.00 4.81 -1.95 -1.18 114.58 117.29 3bfu h GLU 125 Ca 0.08 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3bfu h GLU 125 Cb 0.47 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 3bfu h GLU 125 CO 0.03 0.76 0.13 -0.44 -0.73 0.00 0.00 179.01 178.76 3bfu h ASP 126 N 0.89 0.17 -0.69 1.04 3.32 -1.79 -2.10 116.42 117.26 3bfu h ASP 126 Ca 0.22 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3bfu h ASP 126 Cb 0.15 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3bfu h ASP 126 CO -0.02 0.14 0.44 -0.07 -1.72 0.00 0.00 179.24 178.00 3bfu h LEU 127 N 0.29 0.72 -1.59 1.55 3.38 -1.04 -2.56 115.31 116.05 3bfu h LEU 127 Ca 0.14 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3bfu h LEU 127 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3bfu h LEU 127 CO -0.13 0.50 -0.22 0.77 0.09 0.00 0.00 178.44 179.45 3bfu h SER 128 N 0.86 0.00 0.42 -0.43 4.64 -0.81 -2.98 113.55 115.25 3bfu h SER 128 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3bfu h SER 128 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bfu h SER 128 CO -0.10 0.22 -0.07 0.29 -0.87 0.00 0.00 176.83 176.30 3bfu n LYS 129 N -4.01 0.60 -4.38 4.77 5.02 -0.83 -4.93 118.16 114.40 3bfu n LYS 129 Ca -0.02 -0.14 -0.20 0.00 -2.02 0.00 0.00 58.31 55.93 3bfu n LYS 129 Cb 0.30 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.49 1.62 0.00 1.97 1.03 -1.13 -5.07 119.66 115.59 3bfu s GLN 130 Ca 0.29 -1.92 0.00 0.00 0.04 0.00 0.00 55.36 53.77 3bfu s GLN 130 Cb 0.20 -0.35 0.00 0.00 0.03 0.00 0.00 33.01 32.89 3bfu s GLN 130 CO 0.47 -0.38 0.00 0.25 -2.54 0.00 0.00 175.29 173.09 3bfu n THR 131 N -0.63 0.00 0.04 3.63 -2.24 -1.26 -4.83 114.28 108.99 3bfu n THR 131 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 3bfu n THR 131 Cb 0.65 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.20 -5.58 -0.78 4.57 -1.97 -3.38 114.58 107.24 3bfu h GLU 132 Ca 0.00 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.57 3bfu h GLU 132 Cb 0.05 0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 28.57 3bfu h GLU 132 CO 0.00 -0.14 0.22 0.42 -1.18 0.00 0.00 179.01 178.33 3bfu s ILE 133 N -6.15 4.87 0.65 2.32 1.01 -1.26 -4.89 121.20 117.75 3bfu s ILE 133 Ca -0.14 0.81 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 3bfu s ILE 133 Cb 0.09 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3bfu s ILE 133 CO 0.67 -0.27 1.05 0.00 0.00 0.00 0.00 174.94 176.39 3bfu s ALA 134 N 2.77 2.98 -0.19 9.38 0.00 -0.08 -4.87 121.76 131.76 3bfu s ALA 134 Ca 0.27 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 3bfu s ALA 134 Cb -0.14 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 19.96 3bfu s ALA 134 CO 0.14 -0.88 0.66 1.52 0.00 0.00 0.00 175.76 177.20 3bfu s TYR 135 N -3.19 -0.69 0.00 0.00 -0.85 -1.26 -0.68 117.35 110.68 3bfu s TYR 135 Ca 0.56 1.56 0.00 0.00 -0.52 0.00 0.00 57.07 58.67 3bfu s TYR 135 Cb -0.12 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.51 3bfu s TYR 135 CO 0.54 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.55 3bfu n GLY 136 N 2.18 3.10 3.34 5.49 0.00 -1.15 -4.78 105.19 113.37 3bfu n GLY 136 Ca -0.16 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.31 3bfu n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bfu s THR 137 N -2.46 0.17 0.59 2.61 -4.23 -1.24 -1.54 115.64 109.55 3bfu s THR 137 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 3bfu s THR 137 Cb 0.00 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 3bfu s THR 137 CO 0.00 0.00 1.34 -0.11 -0.54 0.00 0.00 174.62 175.31 3bfu n LEU 138 N -0.66 5.80 0.00 4.79 7.94 -1.26 -2.26 117.00 131.34 3bfu n LEU 138 Ca 0.03 0.92 0.04 0.00 -1.11 0.00 0.00 56.01 55.89 3bfu n LEU 138 Cb 0.63 -1.57 0.24 0.00 0.53 0.00 0.00 43.42 43.25 3bfu n LEU 138 CO 0.33 -0.74 0.52 -0.67 -1.11 0.00 0.00 177.39 175.72 3bfu n ASP 139 N -1.40 0.00 -3.69 1.96 2.03 0.20 -4.57 116.55 111.08 3bfu n ASP 139 Ca 0.13 -0.11 -0.03 0.00 0.52 0.00 0.00 54.79 55.30 3bfu n ASP 139 Cb 0.46 -0.11 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.22 -0.14 0.00 1.67 1.04 -1.26 -5.01 113.70 107.78 3bfu s SER 140 Ca 0.11 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3bfu s SER 140 Cb 0.06 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3bfu s SER 140 CO 0.11 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3bfu n GLY 141 N -0.50 -2.01 0.26 7.32 0.00 -1.26 -4.63 105.19 104.36 3bfu n GLY 141 Ca -0.06 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.07 1.61 4.64 -1.95 -2.40 113.55 115.38 3bfu h SER 142 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3bfu h SER 142 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3bfu h SER 142 CO 0.00 0.12 -0.60 0.74 -0.87 0.00 0.00 176.83 176.22 3bfu h THR 143 N 0.00 1.37 -0.54 2.95 2.02 -1.95 -1.45 112.91 115.32 3bfu h THR 143 Ca -0.00 -1.95 -0.03 0.00 0.77 0.00 0.00 66.41 65.20 3bfu h THR 143 Cb 0.28 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 3bfu h THR 143 CO 0.02 0.58 0.22 0.50 0.37 0.00 0.00 175.52 177.21 3bfu h LYS 144 N 0.11 0.80 -0.20 6.66 3.64 -1.77 -2.21 116.57 123.60 3bfu h LYS 144 Ca -0.06 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.14 3bfu h LYS 144 Cb 1.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 3bfu h LYS 144 CO 0.12 0.70 -0.04 0.93 -2.27 0.00 0.00 179.45 178.89 3bfu h GLU 145 N 0.73 0.30 0.06 1.90 5.08 -1.44 -2.12 114.58 119.09 3bfu h GLU 145 Ca 0.18 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3bfu h GLU 145 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3bfu h GLU 145 CO -0.02 0.36 -0.18 0.35 -1.00 0.00 0.00 179.01 178.53 3bfu h PHE 146 N 0.29 -0.47 -0.38 4.33 3.57 -0.63 -0.05 116.94 123.61 3bfu h PHE 146 Ca 0.06 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 3bfu h PHE 146 Cb 0.27 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3bfu h PHE 146 CO 0.01 -0.26 -0.29 0.74 -2.23 0.00 0.00 178.31 176.27 3bfu h PHE 147 N -0.33 0.94 -0.47 0.41 0.04 -1.34 0.80 116.94 116.99 3bfu h PHE 147 Ca 0.04 -0.24 -0.10 0.00 2.80 0.00 0.00 57.97 60.47 3bfu h PHE 147 Cb 0.36 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3bfu h PHE 147 CO -0.20 1.00 -0.09 -0.09 -0.60 0.00 0.00 178.31 178.34 3bfu h ARG 148 N 0.69 0.85 0.00 1.51 2.43 -1.22 -3.17 114.38 115.47 3bfu h ARG 148 Ca 0.08 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3bfu h ARG 148 Cb 0.83 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3bfu h ARG 148 CO 0.07 0.91 -0.87 0.00 -1.51 0.00 0.00 179.97 178.57 3bfu h ARG 149 N 0.77 0.00 -7.02 0.20 2.47 -0.95 -3.48 114.38 106.37 3bfu h ARG 149 Ca 0.13 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 58.31 3bfu h ARG 149 Cb 0.59 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 29.03 3bfu h ARG 149 CO 0.04 0.00 0.62 0.45 0.56 0.00 0.00 179.97 181.64 3bfu s SER 150 N -4.87 5.64 0.00 7.04 0.15 0.27 -4.92 113.70 117.01 3bfu s SER 150 Ca 0.02 2.74 0.03 0.00 0.70 0.00 0.00 55.95 59.44 3bfu s SER 150 Cb 0.11 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3bfu s SER 150 CO 0.77 -1.31 0.68 0.29 1.20 0.00 0.00 173.24 174.86 3bfu n LYS 151 N -0.62 0.04 -2.24 5.44 5.02 -1.26 -4.57 118.16 119.97 3bfu n LYS 151 Ca 0.08 -0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 55.10 3bfu n LYS 151 Cb 0.44 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.39 3.57 0.18 -0.18 -1.09 -1.26 -4.88 121.20 117.15 3bfu s ILE 152 Ca 0.04 1.09 -0.23 0.00 -2.23 0.00 0.00 60.65 59.33 3bfu s ILE 152 Cb 0.03 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 37.30 3bfu s ILE 152 CO 0.04 0.06 1.58 0.00 -1.23 0.00 0.00 174.94 175.39 3bfu h ALA 153 N 7.09 -0.15 -0.65 9.38 0.00 -1.98 0.99 119.26 133.94 3bfu h ALA 153 Ca -0.41 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3bfu h ALA 153 Cb 1.20 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3bfu h ALA 153 CO 0.86 -0.73 0.41 -0.24 0.00 0.00 0.00 179.25 179.55 3bfu h VAL 154 N -0.20 1.10 -0.06 0.00 3.04 -2.00 -1.29 116.25 116.85 3bfu h VAL 154 Ca 0.21 -0.28 -0.19 0.00 -1.01 0.00 0.00 66.70 65.43 3bfu h VAL 154 Cb 0.56 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 3bfu h VAL 154 CO -0.66 0.15 -0.77 -0.26 -1.01 0.00 0.00 177.57 175.01 3bfu h PHE 155 N 0.81 0.52 -0.22 3.17 0.04 -1.81 -2.58 116.94 116.86 3bfu h PHE 155 Ca 0.26 -0.24 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 3bfu h PHE 155 Cb 0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3bfu h PHE 155 CO -0.05 1.01 -0.25 0.22 -0.60 0.00 0.00 178.31 178.64 3bfu h ASP 156 N 0.24 0.41 -0.42 2.17 3.58 -0.61 -0.99 116.42 120.79 3bfu h ASP 156 Ca -0.04 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3bfu h ASP 156 Cb 1.36 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3bfu h ASP 156 CO 0.13 0.66 0.00 0.50 -2.88 0.00 0.00 179.24 177.65 3bfu h LYS 157 N 0.36 0.75 -0.95 0.28 3.64 -1.15 -1.01 116.57 118.50 3bfu h LYS 157 Ca 0.05 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3bfu h LYS 157 Cb 0.64 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.34 3bfu h LYS 157 CO 0.05 0.82 0.57 0.52 -2.27 0.00 0.00 179.45 179.14 3bfu h MET 158 N 0.59 1.29 -0.48 1.90 2.86 -1.05 -2.23 114.93 117.80 3bfu h MET 158 Ca 0.12 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3bfu h MET 158 Cb 0.49 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3bfu h MET 158 CO 0.02 0.91 -0.01 2.35 1.06 0.00 0.00 176.91 181.24 3bfu h TRP 159 N 1.31 0.93 -0.85 -0.22 2.91 -0.91 0.30 115.95 119.42 3bfu h TRP 159 Ca 0.34 -0.16 0.07 0.00 1.13 0.00 0.00 58.89 60.27 3bfu h TRP 159 Cb -0.05 -0.24 -0.07 0.00 -0.51 0.00 0.00 29.16 28.29 3bfu h TRP 159 CO 0.01 0.89 0.52 1.15 -1.03 0.00 0.00 178.44 179.97 3bfu h THR 160 N 0.71 1.00 -0.06 2.65 2.02 -0.74 -0.05 112.91 118.44 3bfu h THR 160 Ca 0.13 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3bfu h THR 160 Cb 0.52 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3bfu h THR 160 CO 0.03 0.17 -0.10 0.22 0.37 0.00 0.00 175.52 176.20 3bfu h TYR 161 N 0.91 0.22 -0.18 3.16 3.20 -1.17 -3.31 116.97 119.80 3bfu h TYR 161 Ca 0.38 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3bfu h TYR 161 Cb 0.24 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3bfu h TYR 161 CO -0.04 0.68 0.12 0.52 -1.64 0.00 0.00 178.16 177.80 3bfu h MET 162 N -0.31 0.23 -0.01 1.82 2.86 -0.47 -1.76 114.93 117.30 3bfu h MET 162 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3bfu h MET 162 Cb 0.67 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3bfu h MET 162 CO 0.02 0.16 0.01 0.07 1.06 0.00 0.00 176.91 178.23 3bfu h ARG 163 N 0.24 0.00 -0.20 1.72 0.11 -1.15 -2.76 114.38 112.33 3bfu h ARG 163 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3bfu h ARG 163 Cb -0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.06 3bfu h ARG 163 CO -0.01 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.49 3bfu n SER 164 N -3.81 2.54 -4.77 0.08 7.64 -1.12 -5.04 113.62 109.15 3bfu n SER 164 Ca -0.03 -2.00 -0.38 0.00 1.01 0.00 0.00 58.87 57.47 3bfu n SER 164 Cb 0.10 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3bfu n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bfu s ALA 165 N -1.00 3.08 -0.03 -0.43 0.00 -0.68 -5.04 121.76 117.66 3bfu s ALA 165 Ca 0.14 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.22 3bfu s ALA 165 Cb 0.07 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3bfu s ALA 165 CO 0.09 -0.85 0.04 -1.21 0.00 0.00 0.00 175.76 173.83 3bfu s GLU 166 N -2.51 0.00 0.93 0.00 0.41 -1.26 -3.33 118.70 112.94 3bfu s GLU 166 Ca 0.62 0.27 -0.11 0.00 -0.41 0.00 0.00 54.97 55.33 3bfu s GLU 166 Cb -0.35 -0.43 0.15 0.00 -1.78 0.00 0.00 34.13 31.72 3bfu s GLU 166 CO 0.43 -0.25 1.09 -1.25 -0.49 0.00 0.00 175.26 174.79 3bfu s PRO 167 N 1.66 0.96 0.30 0.39 0.04 -1.26 -5.07 135.00 132.02 3bfu s PRO 167 Ca -0.01 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 61.74 3bfu s PRO 167 Cb -0.13 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 3bfu s PRO 167 CO -0.03 -2.49 0.73 0.45 0.04 0.00 0.00 177.00 175.70 3bfu n SER 168 N -4.08 -0.08 -0.75 6.66 2.88 -1.21 -4.90 113.62 112.15 3bfu n SER 168 Ca 0.07 1.09 0.11 0.00 -1.33 0.00 0.00 58.87 58.81 3bfu n SER 168 Cb 0.54 -1.14 0.06 0.00 -0.75 0.00 0.00 64.21 62.92 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 -0.16 0.00 -2.73 2.46 0.24 -1.26 -4.97 118.33 111.91 3bfu n VAL 169 Ca 0.12 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.71 3bfu n VAL 169 Cb 0.32 1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 34.06 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 -2.06 3.50 0.11 6.34 0.08 -1.26 -3.71 117.98 120.98 3bfu s PHE 170 Ca 0.23 1.02 0.04 0.00 0.12 0.00 0.00 56.93 58.34 3bfu s PHE 170 Cb 0.18 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.16 3bfu s PHE 170 CO 0.38 -0.19 -0.11 0.14 -0.10 0.00 0.00 175.22 175.34 3bfu s VAL 171 N -2.52 1.06 0.13 -0.44 -7.23 -0.96 -4.85 120.40 105.60 3bfu s VAL 171 Ca 0.51 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 58.91 3bfu s VAL 171 Cb -0.10 -1.44 -0.14 0.00 0.56 0.00 0.00 36.38 35.26 3bfu s VAL 171 CO 0.36 -0.53 1.36 0.03 -0.31 0.00 0.00 175.10 176.01 3bfu h ARG 172 N 3.50 0.62 -4.49 4.82 -0.00 -1.95 0.56 114.38 117.44 3bfu h ARG 172 Ca -0.38 -0.51 -0.18 0.00 -0.50 0.00 0.00 59.98 58.40 3bfu h ARG 172 Cb 1.19 0.11 -0.15 0.00 0.00 0.00 0.00 29.97 31.12 3bfu h ARG 172 CO 0.53 1.13 -0.69 0.95 0.00 0.00 0.00 179.97 181.90 3bfu s THR 173 N -3.68 0.48 0.30 2.04 -4.23 -1.26 -4.72 115.64 104.57 3bfu s THR 173 Ca -0.08 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3bfu s THR 173 Cb 0.09 -1.66 0.28 0.00 1.34 0.00 0.00 72.50 72.55 3bfu s THR 173 CO 0.88 -0.89 1.92 0.74 -0.54 0.00 0.00 174.62 176.73 3bfu h THR 174 N 3.02 1.10 -0.83 3.99 2.02 -1.96 -1.47 112.91 118.78 3bfu h THR 174 Ca -0.35 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 66.54 3bfu h THR 174 Cb 1.16 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 3bfu h THR 174 CO 0.65 0.19 0.50 0.00 0.37 0.00 0.00 175.52 177.23 3bfu h ALA 175 N 1.50 1.15 -0.14 6.16 0.00 -1.97 0.41 119.26 126.38 3bfu h ALA 175 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 3bfu h ALA 175 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3bfu h ALA 175 CO -0.13 0.21 -0.48 0.93 0.00 0.00 0.00 179.25 179.79 3bfu h GLU 176 N 0.90 0.36 -0.54 0.00 5.08 -1.70 -1.06 114.58 117.62 3bfu h GLU 176 Ca 0.37 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3bfu h GLU 176 Cb 0.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3bfu h GLU 176 CO -0.19 0.76 -0.06 0.78 -1.00 0.00 0.00 179.01 179.29 3bfu h GLY 177 N 1.23 1.07 0.83 -3.84 0.00 -0.57 -1.33 103.07 100.46 3bfu h GLY 177 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 3bfu h GLY 177 CO 0.08 0.77 0.01 -2.08 0.00 0.00 0.00 176.54 175.32 3bfu h VAL 178 N 0.86 1.15 -0.93 4.60 2.07 -0.71 -2.35 116.25 120.95 3bfu h VAL 178 Ca 0.14 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3bfu h VAL 178 Cb 0.62 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 3bfu h VAL 178 CO 0.04 0.12 0.61 0.00 0.02 0.00 0.00 177.57 178.36 3bfu h ALA 179 N 0.83 1.43 -0.85 1.67 0.00 -1.12 -1.55 119.26 119.67 3bfu h ALA 179 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3bfu h ALA 179 Cb 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3bfu h ALA 179 CO -0.00 0.47 0.47 -0.09 0.00 0.00 0.00 179.25 180.10 3bfu h ARG 180 N 1.14 1.18 -0.36 0.00 2.43 -0.98 0.19 114.38 117.98 3bfu h ARG 180 Ca 0.38 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3bfu h ARG 180 Cb 0.06 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3bfu h ARG 180 CO -0.12 0.86 0.02 0.28 -1.51 0.00 0.00 179.97 179.50 3bfu h VAL 181 N 1.19 1.25 -0.07 0.20 2.07 -0.80 -1.27 116.25 118.81 3bfu h VAL 181 Ca 0.30 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 3bfu h VAL 181 Cb 0.02 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3bfu h VAL 181 CO -0.05 0.31 -0.40 0.03 0.02 0.00 0.00 177.57 177.48 3bfu h ARG 182 N 0.44 0.16 -0.19 1.57 3.08 -0.81 -3.23 114.38 115.39 3bfu h ARG 182 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3bfu h ARG 182 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3bfu h ARG 182 CO 0.01 0.54 0.00 1.63 -1.07 0.00 0.00 179.97 181.08 3bfu n LYS 183 N -4.04 2.38 -0.71 0.04 4.76 0.64 -4.44 118.16 116.78 3bfu n LYS 183 Ca -0.02 -2.08 0.08 0.00 -2.87 0.00 0.00 58.31 53.43 3bfu n LYS 183 Cb 0.46 -1.48 0.37 0.00 -1.84 0.00 0.00 35.03 32.54 3bfu n LYS 183 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3bfu n SER 184 N 1.40 5.05 -3.16 4.39 7.64 -0.49 -4.95 113.62 123.51 3bfu n SER 184 Ca 0.16 -2.60 -0.20 0.00 1.01 0.00 0.00 58.87 57.24 3bfu n SER 184 Cb 0.60 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.96 -3.16 -0.78 1.43 5.02 -1.26 -0.55 118.16 119.83 3bfu n LYS 185 Ca 0.26 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3bfu n LYS 185 Cb 0.99 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.84 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 -1.08 0.73 1.22 0.72 0.00 -1.26 -4.92 105.19 100.60 3bfu n GLY 186 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.45 2.74 -3.72 1.61 4.76 0.29 -4.85 118.16 116.54 3bfu n LYS 187 Ca 0.00 -2.26 -0.13 0.00 -2.87 0.00 0.00 58.31 53.05 3bfu n LYS 187 Cb 0.00 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 31.46 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 -1.42 -0.32 -0.02 2.13 5.04 -1.26 -0.90 117.35 120.61 3bfu s TYR 188 Ca 0.41 0.78 0.07 0.00 -2.44 0.00 0.00 57.07 55.89 3bfu s TYR 188 Cb 0.24 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 3bfu s TYR 188 CO 0.25 -0.24 -0.23 0.00 -1.34 0.00 0.00 175.55 174.00 3bfu s ALA 189 N 1.34 2.31 -0.13 3.97 0.00 0.15 -4.56 121.76 124.83 3bfu s ALA 189 Ca -0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 3bfu s ALA 189 Cb -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3bfu s ALA 189 CO -0.08 0.54 -0.05 -0.47 0.00 0.00 0.00 175.76 175.70 3bfu s TYR 190 N -0.67 3.00 -0.40 0.00 5.04 -0.12 -2.91 117.35 121.29 3bfu s TYR 190 Ca 0.11 -0.22 -0.16 0.00 -2.44 0.00 0.00 57.07 54.36 3bfu s TYR 190 Cb -0.10 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.34 3bfu s TYR 190 CO -0.00 0.07 0.35 -0.51 -1.34 0.00 0.00 175.55 174.12 3bfu s LEU 191 N 0.01 4.89 0.24 6.97 1.43 -0.59 0.03 118.68 131.67 3bfu s LEU 191 Ca 0.00 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3bfu s LEU 191 Cb -0.13 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3bfu s LEU 191 CO 0.03 -0.46 0.28 -1.48 0.23 0.00 0.00 176.35 174.95 3bfu s LEU 192 N 1.88 0.95 0.30 1.79 2.34 -0.80 -4.41 118.68 120.72 3bfu s LEU 192 Ca 0.08 -1.30 -0.29 0.00 0.06 0.00 0.00 54.13 52.68 3bfu s LEU 192 Cb -0.18 0.91 -0.10 0.00 -0.56 0.00 0.00 46.19 46.26 3bfu s LEU 192 CO 0.11 -0.99 1.23 -1.61 -1.06 0.00 0.00 176.35 174.03 3bfu s GLU 193 N -3.94 4.46 0.41 1.48 2.02 -1.26 0.29 118.70 122.16 3bfu s GLU 193 Ca 0.33 2.05 0.22 0.00 0.02 0.00 0.00 54.97 57.60 3bfu s GLU 193 Cb 0.04 -3.13 1.22 0.00 0.10 0.00 0.00 34.13 32.36 3bfu s GLU 193 CO 0.13 -0.05 1.72 0.66 0.02 0.00 0.00 175.26 177.74 3bfu h SER 194 N 3.76 0.37 0.01 -0.19 4.64 -0.60 -1.85 113.55 119.70 3bfu h SER 194 Ca -0.48 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3bfu h SER 194 Cb 1.22 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3bfu h SER 194 CO 0.67 -0.01 -0.01 0.71 -0.87 0.00 0.00 176.83 177.33 3bfu h THR 195 N 0.28 0.99 -0.54 2.95 1.35 -1.89 0.16 112.91 116.21 3bfu h THR 195 Ca 0.67 -0.01 -0.10 0.00 -0.55 0.00 0.00 66.41 66.42 3bfu h THR 195 Cb 1.87 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 3bfu h THR 195 CO -0.34 0.00 -0.05 0.24 -0.25 0.00 0.00 175.52 175.13 3bfu h MET 196 N -0.02 0.97 -0.04 4.72 2.86 -1.72 -2.42 114.93 119.28 3bfu h MET 196 Ca -0.00 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3bfu h MET 196 Cb 0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3bfu h MET 196 CO 0.00 0.99 -0.01 -0.97 1.06 0.00 0.00 176.91 177.98 3bfu h ASN 197 N 0.88 -0.03 -0.39 1.22 -0.73 -1.00 -1.06 115.58 114.46 3bfu h ASN 197 Ca 0.15 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 3bfu h ASN 197 Cb 0.58 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 3bfu h ASN 197 CO 0.04 -0.01 0.22 -0.33 -0.37 0.00 0.00 177.43 176.97 3bfu h GLU 198 N 0.00 0.58 0.33 6.67 5.08 -0.61 -1.87 114.58 124.76 3bfu h GLU 198 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3bfu h GLU 198 Cb 0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3bfu h GLU 198 CO -0.04 0.44 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.33 3bfu h TYR 199 N 0.59 -0.41 -0.62 4.33 3.20 -0.90 -3.21 116.97 119.95 3bfu h TYR 199 Ca 0.15 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3bfu h TYR 199 Cb 0.04 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3bfu h TYR 199 CO 0.00 -0.09 0.41 0.82 -1.64 0.00 0.00 178.16 177.66 3bfu h ILE 200 N -0.76 1.04 0.00 1.81 1.08 -1.01 -0.69 117.51 118.98 3bfu h ILE 200 Ca -0.05 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3bfu h ILE 200 Cb 0.51 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3bfu h ILE 200 CO 0.07 0.12 0.00 -0.08 -0.69 0.00 0.00 178.15 177.58 3bfu h GLU 201 N 0.66 0.00 -0.51 2.37 4.81 -1.35 -1.01 114.58 119.56 3bfu h GLU 201 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3bfu h GLU 201 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3bfu h GLU 201 CO -0.07 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.25 3bfu n GLN 202 N -2.94 4.13 -5.08 1.92 1.13 -0.27 -4.83 117.38 111.45 3bfu n GLN 202 Ca -0.02 -3.00 -0.31 0.00 -1.94 0.00 0.00 57.00 51.74 3bfu n GLN 202 Cb 0.13 -2.05 -0.15 0.00 0.11 0.00 0.00 30.24 28.27 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 -2.51 2.03 0.71 -1.09 1.81 -0.38 -0.15 118.95 119.36 3bfu s ARG 203 Ca 0.50 -0.98 -0.16 0.00 -1.72 0.00 0.00 55.73 53.37 3bfu s ARG 203 Cb 0.37 -2.06 0.03 0.00 -0.45 0.00 0.00 34.95 32.84 3bfu s ARG 203 CO 0.16 0.55 1.24 0.15 -0.68 0.00 0.00 175.30 176.72 3bfu s LYS 204 N -0.91 2.23 0.00 3.54 1.02 -1.26 -0.94 119.74 123.42 3bfu s LYS 204 Ca 0.11 1.87 0.00 0.00 0.02 0.00 0.00 55.97 57.97 3bfu s LYS 204 Cb -0.10 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3bfu s LYS 204 CO 0.01 -1.79 0.67 -0.35 -0.92 0.00 0.00 175.35 172.96 3bfu n PRO 205 N -2.49 0.96 -3.87 -1.68 -0.04 -1.26 -4.94 135.00 121.68 3bfu n PRO 205 Ca 0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 3bfu n PRO 205 Cb 0.49 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 -2.96 2.38 -4.71 0.00 5.75 -1.26 -4.99 116.55 110.76 3bfu n ASP 207 Ca -0.22 -1.86 -0.23 0.00 -0.01 0.00 0.00 54.79 52.47 3bfu n ASP 207 Cb 0.64 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.55 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 -0.92 2.93 -0.11 2.12 -4.23 -1.26 -0.01 115.64 114.16 3bfu s THR 208 Ca 0.13 -1.77 -0.25 0.00 -1.18 0.00 0.00 61.69 58.63 3bfu s THR 208 Cb 0.07 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 71.04 3bfu s THR 208 CO 0.10 -0.19 0.59 -0.32 -0.54 0.00 0.00 174.62 174.26 3bfu s MET 209 N -3.81 0.87 -0.19 3.99 1.75 -0.32 -4.75 119.30 116.85 3bfu s MET 209 Ca 0.37 0.39 -0.15 0.00 -1.25 0.00 0.00 55.69 55.04 3bfu s MET 209 Cb -0.02 0.41 -0.04 0.00 2.84 0.00 0.00 34.83 38.02 3bfu s MET 209 CO 0.22 -0.22 0.36 0.21 -0.65 0.00 0.00 175.02 174.94 3bfu s LYS 210 N -0.69 4.19 0.06 4.11 2.20 -1.26 -1.48 119.74 126.87 3bfu s LYS 210 Ca -0.08 0.15 0.10 0.00 -0.36 0.00 0.00 55.97 55.78 3bfu s LYS 210 Cb -0.02 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3bfu s LYS 210 CO 0.06 0.04 -0.26 0.14 -0.36 0.00 0.00 175.35 174.96 3bfu s VAL 211 N 1.07 2.17 0.20 4.02 -7.23 -0.92 -5.03 120.40 114.69 3bfu s VAL 211 Ca 0.18 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3bfu s VAL 211 Cb -0.14 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3bfu s VAL 211 CO 0.07 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 3bfu n GLY 212 N 1.59 -1.97 3.94 2.32 0.00 -1.08 -4.18 105.19 105.83 3bfu n GLY 212 Ca -0.17 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 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 -5.35 1.74 0.44 -0.02 0.00 -1.26 -4.89 107.32 97.99 3bfu s GLY 213 Ca 0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 3bfu s GLY 213 CO 0.00 -0.59 1.08 -1.31 0.00 0.00 0.00 173.10 172.28 3bfu s ASN 214 N -4.75 6.43 0.35 1.64 0.01 -1.26 -4.80 114.94 112.56 3bfu s ASN 214 Ca 0.68 2.10 0.25 0.00 -0.71 0.00 0.00 52.86 55.18 3bfu s ASN 214 Cb -0.06 -2.58 0.68 0.00 0.41 0.00 0.00 41.25 39.69 3bfu s ASN 214 CO 0.49 -0.72 1.72 -0.07 -1.51 0.00 0.00 177.10 177.00 3bfu h LEU 215 N 2.08 0.00 -8.09 0.60 4.07 -0.94 -3.47 115.31 109.55 3bfu h LEU 215 Ca -0.49 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 3bfu h LEU 215 Cb 1.23 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 3bfu h LEU 215 CO 0.61 0.00 0.19 1.51 -1.08 0.00 0.00 178.44 179.67 3bfu s ASP 216 N -5.38 0.15 -0.07 -0.43 1.47 -1.26 -4.93 116.67 106.22 3bfu s ASP 216 Ca 0.07 -1.18 0.00 0.00 1.18 0.00 0.00 52.55 52.63 3bfu s ASP 216 Cb 0.08 0.81 0.02 0.00 -0.34 0.00 0.00 42.92 43.50 3bfu s ASP 216 CO 0.61 -1.61 -0.05 -0.44 0.68 0.00 0.00 175.17 174.35 3bfu s SER 217 N -3.09 1.46 0.00 2.11 0.01 -1.26 -4.16 113.70 108.77 3bfu s SER 217 Ca 0.18 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.26 3bfu s SER 217 Cb -0.04 -0.59 0.00 0.00 0.21 0.00 0.00 66.02 65.60 3bfu s SER 217 CO 0.13 -0.08 0.00 2.29 0.41 0.00 0.00 173.24 175.99 3bfu n LYS 218 N 4.41 0.00 -3.91 12.44 2.85 0.40 -5.00 118.16 129.36 3bfu n LYS 218 Ca -0.18 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.99 3bfu n LYS 218 Cb 0.51 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.87 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 -0.28 0.37 -0.03 2.58 0.00 -1.26 -0.79 107.32 107.90 3bfu s GLY 219 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 3bfu s GLY 219 CO 0.00 -0.38 0.14 -0.19 0.00 0.00 0.00 173.10 172.66 3bfu s TYR 220 N -3.41 3.47 0.06 1.90 2.02 -0.77 -0.91 117.35 119.71 3bfu s TYR 220 Ca 0.17 0.34 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 3bfu s TYR 220 Cb -0.04 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3bfu s TYR 220 CO 0.10 0.63 -0.07 0.20 -1.57 0.00 0.00 175.55 174.84 3bfu s GLY 221 N -1.68 0.57 -0.15 0.71 0.00 -0.84 -1.51 107.32 104.43 3bfu s GLY 221 Ca 0.23 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 3bfu s GLY 221 CO 0.14 -1.02 1.06 -0.42 0.00 0.00 0.00 173.10 172.86 3bfu s ILE 222 N -2.17 4.65 0.03 0.90 1.01 -1.26 -4.56 121.20 119.80 3bfu s ILE 222 Ca -0.03 1.95 -0.00 0.00 0.00 0.00 0.00 60.65 62.57 3bfu s ILE 222 Cb -0.05 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3bfu s ILE 222 CO -0.02 -0.07 0.15 0.00 0.00 0.00 0.00 174.94 175.00 3bfu s ALA 223 N 2.56 3.81 0.06 9.38 0.00 -0.90 -1.40 121.76 135.27 3bfu s ALA 223 Ca 0.48 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3bfu s ALA 223 Cb -0.18 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 3bfu s ALA 223 CO 0.14 0.76 0.02 0.95 0.00 0.00 0.00 175.76 177.63 3bfu s THR 224 N -1.36 0.20 0.71 0.00 -4.23 -0.71 -0.42 115.64 109.83 3bfu s THR 224 Ca 0.29 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 3bfu s THR 224 Cb -0.12 -1.41 0.03 0.00 1.34 0.00 0.00 72.50 72.34 3bfu s THR 224 CO 0.21 -0.89 1.19 -2.16 -0.54 0.00 0.00 174.62 172.44 3bfu s PRO 225 N -3.76 2.28 0.18 3.99 0.04 -1.26 -1.10 135.00 135.38 3bfu s PRO 225 Ca 0.05 1.71 -0.33 0.00 0.04 0.00 0.00 61.00 62.47 3bfu s PRO 225 Cb 0.06 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 3bfu s PRO 225 CO -0.10 -1.72 1.41 1.63 0.04 0.00 0.00 177.00 178.27 3bfu n LYS 226 N -2.61 1.82 -0.84 4.56 5.02 -1.26 -1.49 118.16 123.37 3bfu n LYS 226 Ca 0.13 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 3bfu n LYS 226 Cb 0.50 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3bfu n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bfu n GLY 227 N 2.57 0.48 3.64 0.72 0.00 -1.26 -4.96 105.19 106.38 3bfu n GLY 227 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 3bfu n GLY 227 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bfu n SER 228 N -0.12 2.25 0.14 1.61 2.88 -0.55 -4.83 113.62 115.00 3bfu n SER 228 Ca 0.00 1.15 0.12 0.00 -1.33 0.00 0.00 58.87 58.81 3bfu n SER 228 Cb 0.06 -1.37 0.52 0.00 -0.75 0.00 0.00 64.21 62.67 3bfu n SER 228 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3bfu n SER 229 N 1.84 0.64 0.20 -3.46 3.41 -1.26 -2.02 113.62 112.96 3bfu n SER 229 Ca 0.11 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 3bfu n SER 229 Cb 0.31 -0.81 0.13 0.00 -0.26 0.00 0.00 64.21 63.57 3bfu n SER 229 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3bfu h LEU 230 N 0.00 0.00 -0.08 1.04 5.85 -1.96 -3.39 115.31 116.77 3bfu h LEU 230 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3bfu h LEU 230 Cb 0.26 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3bfu h LEU 230 CO 0.00 0.06 -0.34 1.23 -0.34 0.00 0.00 178.44 179.05 3bfu h GLY 231 N 3.95 -0.52 0.84 3.75 0.00 -1.77 -2.22 103.07 107.10 3bfu h GLY 231 Ca -0.00 0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.76 3bfu h GLY 231 CO 0.01 -0.23 0.03 -0.57 0.00 0.00 0.00 176.54 175.78 3bfu h ASN 232 N -0.44 0.01 -0.43 0.19 -0.73 -1.80 -1.51 115.58 110.87 3bfu h ASN 232 Ca 0.08 0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.30 3bfu h ASN 232 Cb 0.57 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.15 3bfu h ASN 232 CO -0.33 0.03 0.21 0.00 -0.37 0.00 0.00 177.43 176.97 3bfu h ALA 233 N 1.10 0.53 -0.51 1.57 0.00 -1.79 -2.12 119.26 118.05 3bfu h ALA 233 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3bfu h ALA 233 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3bfu h ALA 233 CO -0.08 -0.14 0.12 0.28 0.00 0.00 0.00 179.25 179.42 3bfu h VAL 234 N 0.43 1.22 -0.49 0.00 2.07 -1.21 -1.90 116.25 116.37 3bfu h VAL 234 Ca 0.18 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3bfu h VAL 234 Cb 0.09 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3bfu h VAL 234 CO -0.13 0.29 0.03 -1.13 0.02 0.00 0.00 177.57 176.65 3bfu h ASN 235 N 0.75 0.82 0.22 0.57 -1.24 -0.80 -1.38 115.58 114.52 3bfu h ASN 235 Ca 0.17 -0.29 -0.10 0.00 0.71 0.00 0.00 56.30 56.78 3bfu h ASN 235 Cb 0.29 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 3bfu h ASN 235 CO -0.00 0.91 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.60 3bfu h LEU 236 N 0.71 0.24 -0.07 0.34 3.38 -1.21 -2.70 115.31 116.00 3bfu h LEU 236 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3bfu h LEU 236 Cb 0.47 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3bfu h LEU 236 CO 0.02 0.61 0.01 0.00 0.09 0.00 0.00 178.44 179.17 3bfu h ALA 237 N 1.41 0.09 -0.41 1.53 0.00 -1.02 -1.25 119.26 119.62 3bfu h ALA 237 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3bfu h ALA 237 Cb 0.77 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3bfu h ALA 237 CO 0.06 -0.26 0.07 0.28 0.00 0.00 0.00 179.25 179.40 3bfu h VAL 238 N -0.13 0.77 -0.68 0.00 2.07 -1.16 0.08 116.25 117.20 3bfu h VAL 238 Ca 0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3bfu h VAL 238 Cb 0.29 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3bfu h VAL 238 CO 0.00 0.04 0.44 -0.07 0.02 0.00 0.00 177.57 178.00 3bfu h LEU 239 N 0.20 0.80 -0.28 2.57 3.38 -1.39 -0.10 115.31 120.48 3bfu h LEU 239 Ca 0.20 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3bfu h LEU 239 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bfu h LEU 239 CO -0.27 0.60 0.11 0.50 0.09 0.00 0.00 178.44 179.47 3bfu h LYS 240 N 0.93 0.42 -0.98 1.13 3.64 -0.63 -0.16 116.57 120.92 3bfu h LYS 240 Ca 0.25 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3bfu h LYS 240 Cb -0.08 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 3bfu h LYS 240 CO -0.05 0.44 0.63 -0.07 -2.27 0.00 0.00 179.45 178.13 3bfu h LEU 241 N 0.31 1.14 -0.06 5.20 3.38 -0.69 0.10 115.31 124.70 3bfu h LEU 241 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3bfu h LEU 241 Cb 0.18 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3bfu h LEU 241 CO -0.01 0.85 -0.01 -1.13 0.09 0.00 0.00 178.44 178.22 3bfu h ASN 242 N 1.33 0.11 0.39 -0.43 -1.24 -0.80 -1.14 115.58 113.81 3bfu h ASN 242 Ca 0.36 -0.37 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 3bfu h ASN 242 Cb -0.12 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 3bfu h ASN 242 CO -0.07 0.46 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.10 3bfu h GLU 243 N -0.23 0.00 -0.01 6.67 5.08 -0.73 -0.49 114.58 124.87 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 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3bfu h GLU 243 CO 0.01 0.09 -0.06 1.04 -1.00 0.00 0.00 179.01 179.08 3bfu n GLN 244 N -3.54 1.27 -1.01 2.33 6.02 -0.00 -4.92 117.38 117.53 3bfu n GLN 244 Ca -0.02 -0.63 -0.00 0.00 -0.01 0.00 0.00 57.00 56.35 3bfu n GLN 244 Cb 0.22 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 1.20 0.44 0.21 1.08 0.00 -0.19 -4.91 105.19 103.00 3bfu n GLY 245 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.46 -0.87 0.99 6.46 -1.42 -2.57 115.31 118.36 3bfu h LEU 246 Ca -0.01 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.45 3bfu h LEU 246 Cb 0.17 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3bfu h LEU 246 CO 0.01 0.86 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.54 3bfu h LEU 247 N 0.34 0.74 -0.52 2.25 3.38 -1.82 -0.03 115.31 119.65 3bfu h LEU 247 Ca 0.02 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3bfu h LEU 247 Cb 0.95 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3bfu h LEU 247 CO 0.08 0.86 -0.09 0.44 0.09 0.00 0.00 178.44 179.82 3bfu h ASP 248 N 0.70 0.98 -0.38 -0.43 3.32 -1.85 -2.00 116.42 116.75 3bfu h ASP 248 Ca 0.13 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3bfu h ASP 248 Cb 0.54 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3bfu h ASP 248 CO 0.03 1.10 0.19 0.50 -1.72 0.00 0.00 179.24 179.33 3bfu h LYS 249 N 0.85 0.55 -0.88 3.56 3.64 -1.07 -2.06 116.57 121.17 3bfu h LYS 249 Ca 0.14 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3bfu h LYS 249 Cb 0.65 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 3bfu h LYS 249 CO 0.04 0.49 0.48 -0.07 -2.27 0.00 0.00 179.45 178.13 3bfu h LEU 250 N 0.48 1.09 -0.50 5.20 3.38 -0.86 -0.42 115.31 123.69 3bfu h LEU 250 Ca 0.13 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3bfu h LEU 250 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3bfu h LEU 250 CO -0.02 0.87 0.04 0.50 0.09 0.00 0.00 178.44 179.92 3bfu h LYS 251 N 1.23 0.86 -0.85 1.13 3.64 -1.12 -2.31 116.57 119.14 3bfu h LYS 251 Ca 0.31 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3bfu h LYS 251 Cb 0.02 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3bfu h LYS 251 CO -0.05 0.88 0.41 -0.91 -2.27 0.00 0.00 179.45 177.51 3bfu h ASN 252 N 0.72 1.11 -0.44 4.20 2.35 -1.01 0.77 115.58 123.29 3bfu h ASN 252 Ca 0.15 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3bfu h ASN 252 Cb 0.47 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3bfu h ASN 252 CO 0.02 0.93 0.28 0.50 -1.65 0.00 0.00 177.43 177.51 3bfu h LYS 253 N 1.21 0.56 -0.01 0.81 3.64 -0.79 0.22 116.57 122.21 3bfu h LYS 253 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3bfu h LYS 253 Cb 0.11 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3bfu h LYS 253 CO -0.04 0.37 -0.59 0.91 -2.27 0.00 0.00 179.45 177.83 3bfu n TRP 254 N -4.80 0.00 -0.08 1.91 7.02 -0.90 -4.35 117.44 116.24 3bfu n TRP 254 Ca 0.01 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.33 3bfu n TRP 254 Cb 0.03 -0.08 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 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 -0.90 0.00 -0.03 -5.99 8.01 0.25 -4.86 117.44 113.92 3bfu n TRP 255 Ca 0.08 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.23 3bfu n TRP 255 Cb 0.37 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 29.08 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 -3.71 0.00 -0.30 -5.99 4.01 -0.86 -4.36 117.16 105.96 3bfu n TYR 256 Ca -0.31 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.54 3bfu n TYR 256 Cb 0.72 -0.23 0.25 0.00 -0.31 0.00 0.00 39.34 39.77 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 -0.23 -0.52 7.72 3.32 -0.79 0.71 116.42 126.62 3bfu h ASP 257 Ca -0.13 0.22 -0.35 0.00 0.02 0.00 0.00 57.03 56.79 3bfu h ASP 257 Cb 1.23 0.35 -0.23 0.00 0.22 0.00 0.00 39.33 40.90 3bfu h ASP 257 CO -0.01 -0.22 -0.27 1.17 -1.72 0.00 0.00 179.24 178.19 3bfu n LYS 258 N -5.33 2.51 -1.61 3.56 3.00 -1.26 -5.04 118.16 113.98 3bfu n LYS 258 Ca 0.20 -3.56 -0.37 0.00 -0.00 0.00 0.00 58.31 54.58 3bfu n LYS 258 Cb 0.65 -2.01 0.07 0.00 0.00 0.00 0.00 35.03 33.74 3bfu n LYS 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bfu n GLY 259 N -0.96 0.08 0.95 3.14 0.00 0.24 -4.93 105.19 103.71 3bfu n GLY 259 Ca 0.39 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.67 2.24 -0.88 1.61 1.02 0.79 -4.52 120.64 119.23 3bfu n GLU 260 Ca 0.15 -2.06 -0.04 0.00 -0.02 0.00 0.00 57.16 55.19 3bfu n GLU 260 Cb 0.48 -1.43 0.18 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.08 0.17 0.00 0.00 0.00 -1.26 -5.08 105.19 97.94 3bfu n GLY 262 Ca 0.31 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3bfu n GLY 262 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76