#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3frb s LEU 2 N 0.00 4.04 0.07 -4.42 2.96 -1.26 -0.89 118.68 119.18 3frb s LEU 2 Ca 0.00 0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 3frb s LEU 2 Cb 0.00 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3frb s LEU 2 CO 0.00 0.05 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.48 3frb s SER 3 N 1.14 1.96 0.13 3.68 0.01 0.36 -0.64 113.70 120.35 3frb s SER 3 Ca 0.07 -0.58 -0.25 0.00 1.31 0.00 0.00 55.95 56.49 3frb s SER 3 Cb -0.14 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 65.92 3frb s SER 3 CO 0.05 0.01 0.78 -0.63 0.41 0.00 0.00 173.24 173.85 3frb s ILE 4 N -1.09 4.46 -0.20 1.44 1.01 -0.11 0.23 121.20 126.93 3frb s ILE 4 Ca 0.02 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.36 3frb s ILE 4 Cb -0.09 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.29 3frb s ILE 4 CO 0.02 0.48 -0.07 -0.22 0.00 0.00 0.00 174.94 175.16 3frb s LEU 5 N -0.86 2.20 -0.07 2.97 2.96 -0.53 0.19 118.68 125.55 3frb s LEU 5 Ca 0.37 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 3frb s LEU 5 Cb -0.22 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.38 3frb s LEU 5 CO 0.25 -0.20 0.34 0.54 -1.32 0.00 0.00 176.35 175.97 3frb s VAL 6 N 1.47 0.03 -0.10 1.68 0.11 -0.66 -4.49 120.40 118.44 3frb s VAL 6 Ca -0.03 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3frb s VAL 6 Cb -0.17 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3frb s VAL 6 CO -0.07 -0.14 -0.13 0.00 -3.33 0.00 0.00 175.10 171.42 3frb s ALA 7 N -0.69 2.66 0.07 1.54 0.00 -1.26 -0.69 121.76 123.38 3frb s ALA 7 Ca -0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 3frb s ALA 7 Cb -0.04 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.95 3frb s ALA 7 CO 0.03 0.36 0.28 -3.38 0.00 0.00 0.00 175.76 173.05 3frb s HIS 8 N -0.03 -0.04 0.00 0.00 -3.43 -0.51 -4.52 115.29 106.75 3frb s HIS 8 Ca -0.03 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 3frb s HIS 8 Cb -0.14 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 3frb s HIS 8 CO 0.04 -0.55 0.00 -0.40 -2.00 0.00 0.00 174.74 171.83 3frb n ASP 9 N 0.25 0.00 0.29 7.38 5.75 -0.85 0.01 116.55 129.38 3frb n ASP 9 Ca -0.17 -0.88 0.17 0.00 -0.01 0.00 0.00 54.79 53.90 3frb n ASP 9 Cb 0.61 0.00 0.87 0.00 -1.03 0.00 0.00 41.12 41.57 3frb n ASP 9 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3frb h LEU 10 N 0.00 0.00 -3.15 -2.12 3.38 -1.18 -0.78 115.31 111.46 3frb h LEU 10 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3frb h LEU 10 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3frb h LEU 10 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3frb n GLN 11 N -3.29 2.72 -1.22 1.13 6.02 -1.26 -4.97 117.38 116.52 3frb n GLN 11 Ca -0.01 -2.61 -0.07 0.00 -0.01 0.00 0.00 57.00 54.29 3frb n GLN 11 Cb 0.21 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 3frb n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3frb n ARG 12 N -0.43 -0.53 -1.84 -1.09 1.74 -0.30 -4.94 116.66 109.27 3frb n ARG 12 Ca 0.18 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 3frb n ARG 12 Cb 0.75 -4.58 -0.02 0.00 -1.02 0.00 0.00 32.46 27.59 3frb n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3frb s VAL 13 N -2.27 2.26 -0.01 1.55 1.01 -1.26 -0.29 120.40 121.40 3frb s VAL 13 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3frb s VAL 13 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 3frb s VAL 13 CO 0.00 0.03 0.01 2.30 0.00 0.00 0.00 175.10 177.44 3frb n ILE 14 N 2.88 0.00 -3.59 2.22 -5.35 0.03 -2.01 119.36 113.54 3frb n ILE 14 Ca 0.10 -0.34 -0.16 0.00 -0.27 0.00 0.00 62.75 62.08 3frb n ILE 14 Cb 0.38 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.05 3frb n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3frb s GLY 15 N -1.33 -0.51 -0.10 3.28 0.00 -1.13 -4.61 107.32 102.92 3frb s GLY 15 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 44.72 46.17 3frb s GLY 15 CO 0.01 1.18 0.19 -0.12 0.00 0.00 0.00 173.10 174.37 3frb s PHE 16 N -0.54 -0.26 -1.36 1.90 2.19 -0.34 -0.85 117.98 118.72 3frb s PHE 16 Ca -0.06 0.70 -0.01 0.00 0.33 0.00 0.00 56.93 57.89 3frb s PHE 16 Cb -0.02 -0.14 -0.00 0.00 -1.31 0.00 0.00 43.02 41.54 3frb s PHE 16 CO 0.06 -0.27 0.53 0.39 1.83 0.00 0.00 175.22 177.76 3frb n GLU 17 N 5.04 -3.74 -1.80 10.12 1.02 -1.26 -1.78 120.64 128.24 3frb n GLU 17 Ca -0.11 0.48 -0.18 0.00 -0.02 0.00 0.00 57.16 57.33 3frb n GLU 17 Cb 0.50 -4.74 -0.06 0.00 -0.02 0.00 0.00 31.44 27.13 3frb n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3frb n ASN 18 N -3.00 -5.25 -4.26 1.62 3.02 -1.26 -4.97 115.26 101.15 3frb n ASN 18 Ca -0.30 0.30 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3frb n ASN 18 Cb 0.68 -4.36 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 3frb n ASN 18 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3frb s GLN 19 N -3.99 1.28 0.20 3.52 -1.52 -0.74 -4.69 119.66 113.72 3frb s GLN 19 Ca 0.00 -1.67 -0.30 0.00 -1.95 0.00 0.00 55.36 51.44 3frb s GLN 19 Cb 0.00 -0.08 -0.08 0.00 -0.22 0.00 0.00 33.01 32.63 3frb s GLN 19 CO 0.00 -0.30 1.21 -0.51 -0.25 0.00 0.00 175.29 175.45 3frb s LEU 20 N -3.23 4.45 0.55 2.90 1.43 -1.26 -1.20 118.68 122.31 3frb s LEU 20 Ca 0.35 2.28 0.34 0.00 -1.03 0.00 0.00 54.13 56.07 3frb s LEU 20 Cb 0.07 -3.61 1.41 0.00 0.03 0.00 0.00 46.19 44.10 3frb s LEU 20 CO 0.11 -0.39 2.00 -0.65 0.23 0.00 0.00 176.35 177.65 3frb h PRO 21 N 5.13 0.00 -6.38 1.29 0.11 -1.87 -3.46 132.00 126.83 3frb h PRO 21 Ca -0.45 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.05 3frb h PRO 21 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3frb h PRO 21 CO 0.74 0.01 -0.74 1.67 -0.21 0.00 0.00 178.00 179.47 3frb s TRP 22 N -3.70 2.47 -0.32 0.65 -2.14 -1.26 -5.05 118.94 109.59 3frb s TRP 22 Ca 0.01 -0.29 -0.10 0.00 2.66 0.00 0.00 56.10 58.38 3frb s TRP 22 Cb 0.09 -1.15 -0.00 0.00 -3.10 0.00 0.00 33.47 29.31 3frb s TRP 22 CO 0.54 0.58 0.16 -1.58 -2.66 0.00 0.00 176.95 173.99 3frb s HIS 23 N -2.03 3.19 -0.45 1.66 2.46 -1.26 -5.03 115.29 113.83 3frb s HIS 23 Ca 0.26 -0.64 0.06 0.00 0.47 0.00 0.00 55.06 55.21 3frb s HIS 23 Cb -0.07 -2.36 0.19 0.00 -0.13 0.00 0.00 32.58 30.21 3frb s HIS 23 CO 0.15 -0.48 0.53 -0.11 -2.47 0.00 0.00 174.74 172.35 3frb n LEU 24 N 4.98 -1.62 -0.34 8.88 7.94 -1.26 -4.72 117.00 130.86 3frb n LEU 24 Ca -0.14 -3.83 0.18 0.00 -1.11 0.00 0.00 56.01 51.12 3frb n LEU 24 Cb 0.49 0.65 0.40 0.00 0.53 0.00 0.00 43.42 45.48 3frb n LEU 24 CO 0.34 1.92 1.15 -0.65 -1.11 0.00 0.00 177.39 179.04 3frb h PRO 25 N 5.16 0.52 -0.26 1.96 0.11 -1.96 -0.42 132.00 137.10 3frb h PRO 25 Ca 0.15 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3frb h PRO 25 Cb 0.98 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3frb h PRO 25 CO 0.25 0.34 0.03 -0.97 -0.21 0.00 0.00 178.00 177.45 3frb h ASN 26 N 0.53 0.34 -0.07 -2.05 -0.73 -1.95 -1.19 115.58 110.47 3frb h ASN 26 Ca 0.66 -0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.67 3frb h ASN 26 Cb 1.30 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 3frb h ASN 26 CO -0.50 0.38 -0.33 -0.78 -0.37 0.00 0.00 177.43 175.83 3frb h ASP 27 N 0.37 0.57 0.15 1.15 1.82 -1.50 -0.78 116.42 118.20 3frb h ASP 27 Ca 0.09 -0.22 -0.19 0.00 -0.39 0.00 0.00 57.03 56.31 3frb h ASP 27 Cb 0.20 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 3frb h ASP 27 CO 0.00 0.86 -0.72 -0.07 -1.61 0.00 0.00 179.24 177.70 3frb h LEU 28 N 0.47 0.59 -0.52 2.28 3.38 -1.28 0.24 115.31 120.47 3frb h LEU 28 Ca 0.05 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3frb h LEU 28 Cb 0.79 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3frb h LEU 28 CO 0.06 1.13 0.34 0.50 0.09 0.00 0.00 178.44 180.56 3frb h LYS 29 N 0.35 0.66 -0.75 1.13 3.64 -1.20 0.42 116.57 120.82 3frb h LYS 29 Ca -0.03 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3frb h LYS 29 Cb 1.30 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.88 3frb h LYS 29 CO 0.13 0.44 0.32 1.25 -2.27 0.00 0.00 179.45 179.32 3frb h HIS 30 N 0.68 0.55 -0.24 1.91 2.76 -0.73 0.55 115.15 120.64 3frb h HIS 30 Ca 0.19 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3frb h HIS 30 Cb -0.06 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3frb h HIS 30 CO -0.04 0.10 -0.00 0.28 -1.30 0.00 0.00 177.93 176.96 3frb h VAL 31 N 0.48 1.26 -0.18 5.26 2.07 -0.40 -1.93 116.25 122.82 3frb h VAL 31 Ca 0.40 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3frb h VAL 31 Cb 0.57 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3frb h VAL 31 CO -0.37 0.28 -0.08 0.50 0.02 0.00 0.00 177.57 177.93 3frb h LYS 32 N 0.19 -0.05 -0.87 1.57 3.64 -0.38 -1.46 116.57 119.21 3frb h LYS 32 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3frb h LYS 32 Cb 0.42 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3frb h LYS 32 CO 0.01 -0.03 0.52 -0.22 -2.27 0.00 0.00 179.45 177.46 3frb h LYS 33 N -0.05 1.19 -0.24 1.90 1.63 -0.79 -1.66 116.57 118.55 3frb h LYS 33 Ca 0.09 -0.11 -0.18 0.00 -0.85 0.00 0.00 60.65 59.60 3frb h LYS 33 Cb 0.19 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3frb h LYS 33 CO -0.21 0.84 -0.56 -0.07 -3.45 0.00 0.00 179.45 176.00 3frb h LEU 34 N 1.20 0.91 0.00 5.20 3.38 -1.01 -3.36 115.31 121.62 3frb h LEU 34 Ca 0.31 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3frb h LEU 34 Cb -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3frb h LEU 34 CO -0.06 1.30 -1.04 -1.54 0.09 0.00 0.00 178.44 177.19 3frb n SER 35 N -4.05 0.86 -4.71 -0.43 3.41 -0.58 -4.91 113.62 103.22 3frb n SER 35 Ca -0.05 -0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 57.47 3frb n SER 35 Cb 0.63 1.21 -0.02 0.00 -0.26 0.00 0.00 64.21 65.76 3frb n SER 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3frb n THR 36 N -1.58 0.82 -0.75 6.66 -1.04 -0.64 -1.72 114.28 116.04 3frb n THR 36 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3frb n THR 36 Cb 0.31 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.09 3frb n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3frb n GLY 37 N 2.41 0.74 0.00 3.41 0.00 0.69 -4.98 105.19 107.46 3frb n GLY 37 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3frb n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3frb n HIS 38 N -2.39 0.00 -5.04 1.61 -0.00 -0.70 -4.94 115.22 103.76 3frb n HIS 38 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3frb n HIS 38 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 3frb n HIS 38 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3frb s THR 39 N 0.71 1.76 -0.18 1.59 2.01 -0.66 -0.90 115.64 119.98 3frb s THR 39 Ca 0.00 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.06 3frb s THR 39 Cb 0.00 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3frb s THR 39 CO 0.00 0.50 0.07 -0.76 -0.69 0.00 0.00 174.62 173.73 3frb s LEU 40 N 0.23 3.86 -0.20 4.42 1.43 0.57 -0.32 118.68 128.68 3frb s LEU 40 Ca -0.12 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3frb s LEU 40 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3frb s LEU 40 CO 0.06 0.20 0.02 -0.69 0.23 0.00 0.00 176.35 176.16 3frb s VAL 41 N 0.23 4.14 0.07 -1.59 1.01 -0.31 -0.11 120.40 123.85 3frb s VAL 41 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3frb s VAL 41 Cb -0.12 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3frb s VAL 41 CO 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 175.10 175.48 3frb s MET 42 N 0.87 0.71 0.73 2.72 0.23 0.12 0.06 119.30 124.75 3frb s MET 42 Ca 0.01 -1.22 -0.11 0.00 -1.03 0.00 0.00 55.69 53.34 3frb s MET 42 Cb -0.14 -0.06 0.03 0.00 -1.53 0.00 0.00 34.83 33.13 3frb s MET 42 CO 0.02 -0.05 1.10 0.20 -2.03 0.00 0.00 175.02 174.26 3frb s GLY 43 N -2.82 1.63 0.22 3.16 0.00 -0.24 -0.23 107.32 109.05 3frb s GLY 43 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.41 3frb s GLY 43 CO -0.06 0.08 1.83 -0.09 0.00 0.00 0.00 173.10 174.87 3frb h ARG 44 N -0.79 1.18 -0.44 2.90 1.12 -1.88 -2.14 114.38 114.33 3frb h ARG 44 Ca -0.46 -0.15 -0.09 0.00 -1.11 0.00 0.00 59.98 58.17 3frb h ARG 44 Cb 1.26 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 3frb h ARG 44 CO 0.62 0.87 -0.10 0.87 -3.11 0.00 0.00 179.97 179.13 3frb h LYS 45 N 1.17 0.84 -0.44 0.20 1.57 -1.93 -0.73 116.57 117.23 3frb h LYS 45 Ca 0.29 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3frb h LYS 45 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3frb h LYS 45 CO -0.04 0.95 0.28 1.15 -0.57 0.00 0.00 179.45 181.21 3frb h THR 46 N 0.67 1.09 -0.20 -0.16 2.02 -1.83 0.47 112.91 114.96 3frb h THR 46 Ca 0.11 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3frb h THR 46 Cb 0.63 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3frb h THR 46 CO 0.04 0.10 0.13 0.15 0.37 0.00 0.00 175.52 176.31 3frb h PHE 47 N 0.57 0.24 -0.91 3.16 3.04 -1.08 -1.77 116.94 120.19 3frb h PHE 47 Ca 0.17 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.23 3frb h PHE 47 Cb -0.03 -0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.32 3frb h PHE 47 CO -0.06 0.15 0.54 0.93 -2.02 0.00 0.00 178.31 177.85 3frb h GLU 48 N 0.26 0.86 -0.78 1.11 4.39 -0.64 0.48 114.58 120.25 3frb h GLU 48 Ca 0.08 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3frb h GLU 48 Cb -0.02 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.39 3frb h GLU 48 CO -0.02 0.57 0.51 1.03 -1.16 0.00 0.00 179.01 179.93 3frb h SER 49 N 0.88 0.85 1.64 1.42 0.87 -0.45 -2.55 113.55 116.21 3frb h SER 49 Ca 0.44 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.93 3frb h SER 49 Cb 0.42 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3frb h SER 49 CO -0.26 0.60 -0.37 0.40 -0.53 0.00 0.00 176.83 176.67 3frb h ILE 50 N 1.01 0.48 0.00 2.23 2.04 -0.20 -3.48 117.51 119.59 3frb h ILE 50 Ca 0.30 -1.69 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3frb h ILE 50 Cb -0.04 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3frb h ILE 50 CO -0.09 0.27 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3frb n GLY 51 N 1.18 2.05 3.81 5.37 0.00 0.15 -4.86 105.19 112.90 3frb n GLY 51 Ca 0.02 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 3frb n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3frb s LYS 52 N 0.00 2.33 0.41 1.61 -2.85 -1.26 -4.86 119.74 115.12 3frb s LYS 52 Ca 0.00 -1.79 -0.23 0.00 -1.00 0.00 0.00 55.97 52.95 3frb s LYS 52 Cb 0.00 -2.12 -0.09 0.00 -2.06 0.00 0.00 37.83 33.55 3frb s LYS 52 CO 0.00 -0.24 1.01 -1.25 0.10 0.00 0.00 175.35 174.97 3frb s PRO 53 N -4.05 4.19 0.17 1.78 0.04 -1.26 -4.99 135.00 130.88 3frb s PRO 53 Ca 0.41 1.37 -0.32 0.00 0.04 0.00 0.00 61.00 62.51 3frb s PRO 53 Cb 0.00 -2.43 -0.11 0.00 0.04 0.00 0.00 34.50 32.01 3frb s PRO 53 CO 0.24 -0.09 1.66 -0.51 0.04 0.00 0.00 177.00 178.33 3frb s LEU 54 N -2.80 4.37 0.43 -3.56 1.43 -1.26 -4.97 118.68 112.32 3frb s LEU 54 Ca 0.59 2.72 -0.23 0.00 -1.03 0.00 0.00 54.13 56.18 3frb s LEU 54 Cb -0.18 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 3frb s LEU 54 CO 0.22 -0.90 0.85 -2.65 0.23 0.00 0.00 176.35 174.10 3frb n PRO 55 N 4.22 1.04 -2.12 1.29 -0.02 -1.26 -3.89 135.00 134.27 3frb n PRO 55 Ca 0.15 0.38 -0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3frb n PRO 55 Cb 0.37 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3frb n PRO 55 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3frb n ASN 56 N 0.69 -2.36 -3.63 2.55 5.03 -1.26 -4.90 115.26 111.38 3frb n ASN 56 Ca 0.11 -0.01 -0.08 0.00 0.87 0.00 0.00 54.58 55.47 3frb n ASN 56 Cb 0.40 -1.71 -0.02 0.00 -1.02 0.00 0.00 39.78 37.42 3frb n ASN 56 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3frb s ARG 57 N -4.30 1.31 -0.06 3.52 1.70 -1.25 -0.22 118.95 119.65 3frb s ARG 57 Ca 0.00 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 3frb s ARG 57 Cb -0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 3frb s ARG 57 CO 0.00 -0.59 1.31 0.50 -1.08 0.00 0.00 175.30 175.45 3frb s ARG 58 N -3.57 4.29 -0.25 3.89 3.52 -0.08 -4.87 118.95 121.88 3frb s ARG 58 Ca 0.07 1.80 -0.09 0.00 -0.13 0.00 0.00 55.73 57.38 3frb s ARG 58 Cb -0.02 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3frb s ARG 58 CO -0.04 -0.58 0.13 -0.80 -0.81 0.00 0.00 175.30 173.21 3frb s ASN 59 N 1.86 5.70 -0.13 -2.12 0.01 -1.26 -0.31 114.94 118.68 3frb s ASN 59 Ca 0.59 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.72 3frb s ASN 59 Cb -0.27 -2.04 0.01 0.00 0.41 0.00 0.00 41.25 39.37 3frb s ASN 59 CO 0.22 -0.01 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.91 3frb s VAL 60 N 1.47 1.97 -0.19 1.60 1.01 0.84 -1.26 120.40 125.83 3frb s VAL 60 Ca 0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3frb s VAL 60 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3frb s VAL 60 CO 0.07 0.53 -0.01 -0.69 0.00 0.00 0.00 175.10 175.00 3frb s VAL 61 N 0.84 3.88 -0.25 2.92 1.01 -0.04 -0.70 120.40 128.06 3frb s VAL 61 Ca -0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 3frb s VAL 61 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3frb s VAL 61 CO -0.02 0.44 0.59 -0.22 0.00 0.00 0.00 175.10 175.89 3frb s LEU 62 N 0.93 4.07 0.11 3.92 2.96 0.68 -0.81 118.68 130.54 3frb s LEU 62 Ca 0.01 0.65 -0.21 0.00 -0.22 0.00 0.00 54.13 54.36 3frb s LEU 62 Cb -0.14 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.81 3frb s LEU 62 CO 0.02 -0.33 0.51 0.28 -1.32 0.00 0.00 176.35 175.51 3frb s THR 63 N 2.37 0.03 -0.77 3.68 -1.32 -0.70 -2.87 115.64 116.07 3frb s THR 63 Ca 0.25 -0.26 0.26 0.00 -1.21 0.00 0.00 61.69 60.73 3frb s THR 63 Cb -0.16 -1.05 0.18 0.00 -1.51 0.00 0.00 72.50 69.97 3frb s THR 63 CO 0.09 -0.14 1.63 -1.54 -2.21 0.00 0.00 174.62 172.45 3frb n SER 64 N -0.06 0.63 -4.59 8.08 3.41 -1.26 -4.23 113.62 115.60 3frb n SER 64 Ca -0.17 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 3frb n SER 64 Cb 0.63 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 3frb n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3frb s ASP 65 N -4.08 6.59 0.33 4.04 3.68 -1.26 -4.88 116.67 121.10 3frb s ASP 65 Ca 0.10 0.36 0.26 0.00 2.13 0.00 0.00 52.55 55.39 3frb s ASP 65 Cb 0.14 -2.50 1.12 0.00 -1.45 0.00 0.00 42.92 40.22 3frb s ASP 65 CO 0.63 -1.13 1.78 0.71 0.13 0.00 0.00 175.17 177.29 3frb h THR 66 N 6.13 0.00 -0.01 1.71 1.35 -2.02 -2.43 112.91 117.65 3frb h THR 66 Ca -0.23 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3frb h THR 66 Cb 1.07 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3frb h THR 66 CO 1.08 0.00 -0.17 -1.20 -0.25 0.00 0.00 175.52 174.97 3frb n SER 67 N -2.43 0.84 -4.66 5.36 7.64 -1.26 -4.88 113.62 114.24 3frb n SER 67 Ca 0.01 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.64 3frb n SER 67 Cb 0.22 0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 3frb n SER 67 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3frb s PHE 68 N -2.44 2.14 -0.46 1.43 5.36 -0.92 -4.90 117.98 118.20 3frb s PHE 68 Ca 0.28 0.36 0.07 0.00 -0.96 0.00 0.00 56.93 56.67 3frb s PHE 68 Cb 0.20 -3.84 0.24 0.00 -0.34 0.00 0.00 43.02 39.27 3frb s PHE 68 CO 0.48 -3.41 0.76 -1.71 -1.46 0.00 0.00 175.22 169.89 3frb n ASN 69 N 7.10 -2.02 -4.83 6.13 5.15 -1.26 -4.91 115.26 120.62 3frb n ASN 69 Ca 0.17 -3.09 -0.38 0.00 -0.60 0.00 0.00 54.58 50.68 3frb n ASN 69 Cb 0.43 1.08 -0.06 0.00 -0.53 0.00 0.00 39.78 40.70 3frb n ASN 69 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3frb s VAL 70 N 0.17 5.19 0.02 3.44 1.01 -1.26 -5.02 120.40 123.94 3frb s VAL 70 Ca 0.33 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 3frb s VAL 70 Cb 0.19 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 3frb s VAL 70 CO -0.20 0.55 1.79 -0.70 0.00 0.00 0.00 175.10 176.54 3frb s GLU 71 N -0.76 4.16 0.00 2.72 -6.30 -1.26 -1.31 118.70 115.95 3frb s GLU 71 Ca 0.21 2.41 0.00 0.00 -2.50 0.00 0.00 54.97 55.09 3frb s GLU 71 Cb -0.15 -3.95 0.00 0.00 0.00 0.00 0.00 34.13 30.03 3frb s GLU 71 CO 0.10 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.92 3frb n GLY 72 N 4.28 0.70 3.15 -1.50 0.00 -1.26 -4.87 105.19 105.69 3frb n GLY 72 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3frb n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3frb s VAL 73 N -2.44 1.75 0.02 1.61 1.01 -0.43 -4.35 120.40 117.57 3frb s VAL 73 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3frb s VAL 73 Cb 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3frb s VAL 73 CO 0.00 0.49 0.37 -1.81 0.00 0.00 0.00 175.10 174.15 3frb s ASP 74 N 0.45 6.68 -0.09 3.32 -0.00 -0.39 -4.47 116.67 122.18 3frb s ASP 74 Ca -0.17 0.82 -0.01 0.00 -0.00 0.00 0.00 52.55 53.18 3frb s ASP 74 Cb -0.17 -2.19 -0.03 0.00 -0.00 0.00 0.00 42.92 40.52 3frb s ASP 74 CO 0.07 0.27 -0.03 0.54 -0.00 0.00 0.00 175.17 176.03 3frb s VAL 75 N -1.21 4.07 0.25 -1.27 0.11 -1.26 -0.86 120.40 120.23 3frb s VAL 75 Ca 0.27 -0.33 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 3frb s VAL 75 Cb -0.15 -2.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.95 3frb s VAL 75 CO 0.14 0.59 -0.18 0.27 -3.33 0.00 0.00 175.10 172.60 3frb s ILE 76 N -0.75 2.16 0.00 7.04 -4.36 0.01 -4.92 121.20 120.38 3frb s ILE 76 Ca 0.12 -2.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 3frb s ILE 76 Cb -0.11 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.41 3frb s ILE 76 CO 0.02 -0.47 0.20 1.41 0.24 0.00 0.00 174.94 176.33 3frb n HIS 77 N -0.49 0.00 -3.90 1.37 8.25 -1.26 -1.72 115.22 117.47 3frb n HIS 77 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 3frb n HIS 77 Cb 0.60 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.59 3frb n HIS 77 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3frb s SER 78 N -0.45 0.05 0.30 0.41 0.15 -1.26 -4.79 113.70 108.11 3frb s SER 78 Ca 0.00 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.57 3frb s SER 78 Cb 0.00 0.13 0.77 0.00 -1.71 0.00 0.00 66.02 65.21 3frb s SER 78 CO 0.00 -0.18 1.76 0.40 1.20 0.00 0.00 173.24 176.42 3frb h ILE 79 N 4.76 0.66 0.00 6.45 1.08 -2.01 -0.45 117.51 128.01 3frb h ILE 79 Ca -0.28 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3frb h ILE 79 Cb 1.20 -0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3frb h ILE 79 CO 0.44 0.13 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.68 3frb h GLU 80 N 0.71 0.00 0.00 2.37 4.39 -2.03 0.17 114.58 120.19 3frb h GLU 80 Ca 0.59 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.27 3frb h GLU 80 Cb 0.97 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3frb h GLU 80 CO -0.41 0.01 -0.12 -0.44 -1.16 0.00 0.00 179.01 176.89 3frb h ASP 81 N 0.00 0.00 -0.80 1.42 3.32 -1.49 -3.08 116.42 115.80 3frb h ASP 81 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3frb h ASP 81 Cb 0.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3frb h ASP 81 CO 0.00 0.12 0.53 0.40 -1.72 0.00 0.00 179.24 178.57 3frb h ILE 82 N 0.00 1.14 0.00 0.35 2.04 -0.79 -2.36 117.51 117.89 3frb h ILE 82 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3frb h ILE 82 Cb 0.28 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3frb h ILE 82 CO 0.02 0.18 0.00 -1.22 0.00 0.00 0.00 178.15 177.13 3frb n TYR 83 N -4.44 0.00 -0.01 1.37 4.01 -1.16 -2.20 117.16 114.73 3frb n TYR 83 Ca 0.10 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.91 3frb n TYR 83 Cb 0.10 -0.32 -0.14 0.00 -0.31 0.00 0.00 39.34 38.66 3frb n TYR 83 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3frb n GLN 84 N -1.32 0.66 -1.85 -0.72 3.00 -0.89 -4.89 117.38 111.36 3frb n GLN 84 Ca 0.09 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3frb n GLN 84 Cb 0.17 -1.57 -0.02 0.00 0.00 0.00 0.00 30.24 28.82 3frb n GLN 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3frb s LEU 85 N -4.86 4.36 0.56 1.08 1.43 -0.93 -5.01 118.68 115.31 3frb s LEU 85 Ca -0.07 2.83 -0.06 0.00 -1.03 0.00 0.00 54.13 55.80 3frb s LEU 85 Cb 0.12 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3frb s LEU 85 CO 0.88 -0.85 0.87 -2.16 0.23 0.00 0.00 176.35 175.32 3frb s PRO 86 N -0.15 3.15 1.40 1.29 0.04 -1.26 -4.96 135.00 134.51 3frb s PRO 86 Ca 0.64 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.78 3frb s PRO 86 Cb -0.46 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3frb s PRO 86 CO 0.43 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.34 3frb n GLY 87 N -2.50 -1.58 3.56 0.56 0.00 -1.26 -4.72 105.19 99.26 3frb n GLY 87 Ca 0.03 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 3frb n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3frb s HIS 88 N 0.00 3.06 -0.26 1.61 5.65 -1.26 -3.66 115.29 120.43 3frb s HIS 88 Ca 0.00 0.35 -0.09 0.00 0.25 0.00 0.00 55.06 55.57 3frb s HIS 88 Cb 0.00 -3.48 -0.04 0.00 -1.18 0.00 0.00 32.58 27.88 3frb s HIS 88 CO 0.00 -0.83 0.13 0.08 -0.65 0.00 0.00 174.74 173.46 3frb s VAL 89 N 3.12 4.77 -0.27 0.89 1.01 -0.07 -1.65 120.40 128.20 3frb s VAL 89 Ca 0.30 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 3frb s VAL 89 Cb -0.13 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3frb s VAL 89 CO 0.19 0.29 0.15 -0.36 0.00 0.00 0.00 175.10 175.38 3frb s PHE 90 N 1.68 3.18 -0.20 5.22 0.08 0.57 -0.48 117.98 128.02 3frb s PHE 90 Ca 0.07 -0.09 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 3frb s PHE 90 Cb -0.16 -2.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 3frb s PHE 90 CO 0.07 -0.24 1.67 0.42 -0.10 0.00 0.00 175.22 177.04 3frb s ILE 91 N 1.71 3.61 -2.36 0.64 -1.09 0.13 -1.16 121.20 122.69 3frb s ILE 91 Ca 0.07 0.69 0.20 0.00 -2.23 0.00 0.00 60.65 59.38 3frb s ILE 91 Cb -0.16 -3.62 0.12 0.00 -1.58 0.00 0.00 42.46 37.22 3frb s ILE 91 CO 0.08 -0.25 1.10 0.33 -1.23 0.00 0.00 174.94 174.97 3frb n PHE 92 N 8.56 0.00 0.00 3.97 -0.00 0.11 -1.45 117.46 128.65 3frb n PHE 92 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 3frb n PHE 92 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 3frb n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3frb n GLY 93 N 1.20 2.04 0.00 7.13 0.00 -1.26 -4.93 105.19 109.36 3frb n GLY 93 Ca 0.11 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3frb n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3frb n GLY 94 N 0.43 2.36 0.20 -0.02 0.00 -1.26 -1.07 105.19 105.82 3frb n GLY 94 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 3frb n GLY 94 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3frb h GLN 95 N 0.00 0.37 -0.51 1.61 4.15 -1.97 -0.80 115.11 117.96 3frb h GLN 95 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3frb h GLN 95 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3frb h GLN 95 CO 0.00 0.24 0.30 1.79 -1.93 0.00 0.00 178.83 179.24 3frb h THR 96 N 0.38 1.16 -0.57 2.39 1.35 -1.94 -0.78 112.91 114.90 3frb h THR 96 Ca 0.23 -0.36 -0.06 0.00 -0.55 0.00 0.00 66.41 65.68 3frb h THR 96 Cb 0.22 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 3frb h THR 96 CO -0.22 0.16 0.13 -0.07 -0.25 0.00 0.00 175.52 175.27 3frb h LEU 97 N 0.68 0.87 -0.59 3.87 3.38 -1.66 -1.39 115.31 120.47 3frb h LEU 97 Ca 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3frb h LEU 97 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3frb h LEU 97 CO -0.03 0.88 0.19 1.88 0.09 0.00 0.00 178.44 181.45 3frb h TYR 98 N 0.82 0.93 -0.74 1.13 0.05 -0.85 -1.15 116.97 117.16 3frb h TYR 98 Ca 0.18 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3frb h TYR 98 Cb 0.36 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3frb h TYR 98 CO 0.03 0.77 0.44 0.93 -1.05 0.00 0.00 178.16 179.27 3frb h GLU 99 N 0.82 1.01 0.00 4.88 5.08 -0.86 -0.30 114.58 125.21 3frb h GLU 99 Ca 0.19 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3frb h GLU 99 Cb 0.27 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3frb h GLU 99 CO -0.01 0.72 -0.31 0.93 -1.00 0.00 0.00 179.01 179.34 3frb h GLU 100 N 1.01 0.00 0.00 2.33 5.08 -0.99 -3.36 114.58 118.65 3frb h GLU 100 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3frb h GLU 100 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3frb h GLU 100 CO -0.05 0.31 -1.34 -1.33 -1.00 0.00 0.00 179.01 175.60 3frb n MET 101 N -3.45 0.57 0.12 2.33 2.81 -0.46 -4.68 117.12 114.38 3frb n MET 101 Ca 0.00 -0.08 0.04 0.00 -1.81 0.00 0.00 57.70 55.86 3frb n MET 101 Cb 0.49 -1.19 0.46 0.00 -0.71 0.00 0.00 33.22 32.27 3frb n MET 101 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3frb h ILE 102 N 0.00 1.11 0.00 2.02 6.09 -1.21 0.59 117.51 126.11 3frb h ILE 102 Ca 0.00 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3frb h ILE 102 Cb 0.40 0.97 0.00 0.00 0.47 0.00 0.00 36.82 38.66 3frb h ILE 102 CO 0.00 0.14 0.00 0.47 -3.07 0.00 0.00 178.15 175.69 3frb n ASP 103 N -4.39 0.00 -0.01 2.19 10.43 -1.26 -3.96 116.55 119.54 3frb n ASP 103 Ca -0.00 -1.01 0.00 0.00 2.57 0.00 0.00 54.79 56.35 3frb n ASP 103 Cb 0.17 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.09 3frb n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3frb n LYS 104 N -0.99 1.55 -2.02 -1.24 4.76 0.20 -5.05 118.16 115.38 3frb n LYS 104 Ca 0.23 -0.03 -0.32 0.00 -2.87 0.00 0.00 58.31 55.32 3frb n LYS 104 Cb 0.11 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3frb n LYS 104 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3frb s VAL 105 N -2.26 4.28 0.03 -0.18 -7.23 -0.76 -4.98 120.40 109.30 3frb s VAL 105 Ca -0.02 0.93 -0.19 0.00 -1.81 0.00 0.00 61.98 60.89 3frb s VAL 105 Cb 0.03 -3.60 -0.17 0.00 0.56 0.00 0.00 36.38 33.19 3frb s VAL 105 CO 0.22 -0.78 1.24 0.44 -0.31 0.00 0.00 175.10 175.91 3frb h ASP 106 N 0.18 0.49 -5.27 4.85 3.32 -1.25 -3.46 116.42 115.27 3frb h ASP 106 Ca -0.46 -0.61 -0.12 0.00 0.02 0.00 0.00 57.03 55.87 3frb h ASP 106 Cb 1.20 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 3frb h ASP 106 CO 0.60 1.01 -0.03 1.51 -1.72 0.00 0.00 179.24 180.60 3frb s ASP 107 N -6.44 0.28 -0.02 6.45 3.84 -1.22 -2.58 116.67 116.98 3frb s ASP 107 Ca -0.14 -1.16 0.01 0.00 -0.00 0.00 0.00 52.55 51.27 3frb s ASP 107 Cb 0.05 0.69 0.01 0.00 -1.38 0.00 0.00 42.92 42.28 3frb s ASP 107 CO 0.79 -1.34 -0.05 -0.04 -0.00 0.00 0.00 175.17 174.53 3frb s MET 108 N -3.27 0.63 -0.44 2.11 -1.94 0.06 -0.94 119.30 115.50 3frb s MET 108 Ca 0.23 -0.14 -0.13 0.00 -1.71 0.00 0.00 55.69 53.94 3frb s MET 108 Cb -0.02 -0.64 0.07 0.00 2.01 0.00 0.00 34.83 36.25 3frb s MET 108 CO 0.13 0.01 0.32 0.71 -0.01 0.00 0.00 175.02 176.19 3frb s TYR 109 N 0.44 3.28 -0.12 -0.03 1.51 0.13 -0.72 117.35 121.84 3frb s TYR 109 Ca -0.05 -1.12 0.01 0.00 -1.01 0.00 0.00 57.07 54.90 3frb s TYR 109 Cb -0.09 -2.98 -0.01 0.00 -0.11 0.00 0.00 41.96 38.77 3frb s TYR 109 CO -0.00 -0.78 -0.16 0.42 -1.11 0.00 0.00 175.55 173.92 3frb s ILE 110 N 1.56 2.83 -0.39 2.71 1.01 0.03 -1.65 121.20 127.30 3frb s ILE 110 Ca 0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3frb s ILE 110 Cb -0.23 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3frb s ILE 110 CO 0.05 0.54 0.67 -0.89 0.00 0.00 0.00 174.94 175.31 3frb s THR 111 N 0.25 4.83 -0.36 2.92 2.01 0.13 0.19 115.64 125.62 3frb s THR 111 Ca -0.11 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 3frb s THR 111 Cb -0.16 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.21 3frb s THR 111 CO 0.06 -0.46 1.09 -0.69 -0.69 0.00 0.00 174.62 173.93 3frb s VAL 112 N 2.85 4.44 -0.42 3.82 1.01 0.14 -1.42 120.40 130.82 3frb s VAL 112 Ca 0.25 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.63 3frb s VAL 112 Cb -0.14 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.80 3frb s VAL 112 CO 0.17 -0.61 0.70 -0.63 0.00 0.00 0.00 175.10 174.73 3frb s ILE 113 N 3.85 4.78 -1.56 2.22 -1.09 0.10 -1.15 121.20 128.35 3frb s ILE 113 Ca 0.46 0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 59.18 3frb s ILE 113 Cb -0.11 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3frb s ILE 113 CO 0.19 -0.55 2.83 -0.62 -1.23 0.00 0.00 174.94 175.56 3frb n GLU 114 N 6.36 3.90 -3.99 2.79 -0.58 -0.22 -2.74 120.64 126.17 3frb n GLU 114 Ca 0.00 -2.49 -0.10 0.00 -0.42 0.00 0.00 57.16 54.16 3frb n GLU 114 Cb 0.48 -2.77 -0.04 0.00 -0.57 0.00 0.00 31.44 28.54 3frb n GLU 114 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3frb s GLY 115 N 1.78 0.58 -0.27 0.62 0.00 -1.26 -4.72 107.32 104.05 3frb s GLY 115 Ca 0.66 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 44.50 3frb s GLY 115 CO -0.07 -0.60 -0.03 0.54 0.00 0.00 0.00 173.10 172.94 3frb s LYS 116 N -3.79 1.65 0.11 2.90 1.02 -1.26 -1.88 119.74 118.49 3frb s LYS 116 Ca 0.22 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.98 3frb s LYS 116 Cb -0.01 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3frb s LYS 116 CO 0.10 -0.70 0.05 -0.06 -0.92 0.00 0.00 175.35 173.82 3frb s PHE 117 N 1.24 3.07 0.04 3.18 0.08 -1.26 -5.08 117.98 119.25 3frb s PHE 117 Ca -0.01 0.00 -0.31 0.00 0.12 0.00 0.00 56.93 56.73 3frb s PHE 117 Cb -0.19 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 3frb s PHE 117 CO -0.08 0.50 1.26 0.50 -0.10 0.00 0.00 175.22 177.30 3frb s ARG 118 N -2.52 4.38 0.05 0.44 3.52 -1.26 -4.93 118.95 118.63 3frb s ARG 118 Ca 0.28 1.83 -0.00 0.00 -0.13 0.00 0.00 55.73 57.71 3frb s ARG 118 Cb -0.11 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3frb s ARG 118 CO 0.20 -0.36 -0.04 0.20 -0.81 0.00 0.00 175.30 174.50 3frb s GLY 119 N 1.25 0.45 0.00 8.12 0.00 -1.26 -4.72 107.32 111.16 3frb s GLY 119 Ca 0.60 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3frb s GLY 119 CO 0.28 -1.14 0.73 2.09 0.00 0.00 0.00 173.10 175.05 3frb n ASP 120 N 0.55 1.37 -3.80 1.64 3.85 -0.03 -4.97 116.55 115.15 3frb n ASP 120 Ca -0.17 -1.51 -0.13 0.00 -0.71 0.00 0.00 54.79 52.28 3frb n ASP 120 Cb 0.59 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.25 3frb n ASP 120 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3frb s THR 121 N -0.51 0.01 0.01 2.12 -4.23 -1.09 -5.00 115.64 106.95 3frb s THR 121 Ca 0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 3frb s THR 121 Cb 0.00 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.49 3frb s THR 121 CO 0.00 -0.04 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.63 3frb s PHE 122 N -0.04 0.44 0.30 3.99 0.08 -1.26 -0.79 117.98 120.71 3frb s PHE 122 Ca -0.02 -0.25 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 3frb s PHE 122 Cb -0.02 -0.28 -0.09 0.00 -0.57 0.00 0.00 43.02 42.06 3frb s PHE 122 CO 0.01 -0.05 1.04 0.12 -0.10 0.00 0.00 175.22 176.23 3frb s PHE 123 N -0.62 3.60 0.50 0.36 5.36 0.61 -4.63 117.98 123.15 3frb s PHE 123 Ca -0.04 1.74 -0.21 0.00 -0.96 0.00 0.00 56.93 57.46 3frb s PHE 123 Cb -0.05 -3.14 -0.07 0.00 -0.34 0.00 0.00 43.02 39.42 3frb s PHE 123 CO -0.00 -0.27 1.16 -1.25 -1.46 0.00 0.00 175.22 173.40 3frb s PRO 124 N -1.71 3.56 0.34 10.12 0.04 -1.26 -4.87 135.00 141.22 3frb s PRO 124 Ca 0.48 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 3frb s PRO 124 Cb -0.27 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.92 3frb s PRO 124 CO 0.34 -0.71 1.27 -2.30 0.04 0.00 0.00 177.00 175.64 3frb n PRO 125 N -0.85 2.06 -4.14 0.56 -0.02 -1.26 -5.02 135.00 126.32 3frb n PRO 125 Ca 0.09 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3frb n PRO 125 Cb 0.49 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 3frb n PRO 125 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3frb s TYR 126 N -1.10 0.79 0.05 6.00 -0.85 -1.26 -5.17 117.35 115.80 3frb s TYR 126 Ca 0.56 -1.14 0.07 0.00 -0.52 0.00 0.00 57.07 56.03 3frb s TYR 126 Cb -0.57 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 3frb s TYR 126 CO 0.62 -0.42 -0.16 0.99 -1.52 0.00 0.00 175.55 175.06 3frb s THR 127 N -3.95 2.98 -0.96 -3.49 2.01 -1.26 -5.00 115.64 105.97 3frb s THR 127 Ca 0.18 -1.15 0.26 0.00 0.31 0.00 0.00 61.69 61.29 3frb s THR 127 Cb 0.07 -2.28 0.23 0.00 0.01 0.00 0.00 72.50 70.53 3frb s THR 127 CO -0.02 0.31 1.83 0.49 -0.69 0.00 0.00 174.62 176.55 3frb n PHE 128 N 1.43 0.11 -0.29 4.92 3.72 -1.26 -2.16 117.46 123.92 3frb n PHE 128 Ca -0.16 0.03 0.31 0.00 -0.05 0.00 0.00 57.45 57.58 3frb n PHE 128 Cb 0.52 -0.56 0.68 0.00 -0.94 0.00 0.00 39.48 39.19 3frb n PHE 128 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3frb h GLU 129 N 0.00 0.10 -0.00 -1.08 5.08 -2.03 -2.61 114.58 114.03 3frb h GLU 129 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3frb h GLU 129 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3frb h GLU 129 CO 0.00 0.07 -0.61 -0.25 -1.00 0.00 0.00 179.01 177.21 3frb n ASP 130 N -4.31 0.80 -3.80 1.42 10.43 -0.92 -4.94 116.55 115.23 3frb n ASP 130 Ca 0.24 -0.90 -0.19 0.00 2.57 0.00 0.00 54.79 56.51 3frb n ASP 130 Cb 1.09 0.92 -0.17 0.00 1.84 0.00 0.00 41.12 44.81 3frb n ASP 130 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3frb s TRP 131 N -2.26 0.42 -0.07 1.24 0.52 -0.98 -1.07 118.94 116.74 3frb s TRP 131 Ca 0.06 -0.03 -0.16 0.00 0.02 0.00 0.00 56.10 55.99 3frb s TRP 131 Cb 0.11 -0.53 -0.05 0.00 -1.15 0.00 0.00 33.47 31.85 3frb s TRP 131 CO 0.55 -0.19 0.42 -2.00 0.02 0.00 0.00 176.95 175.76 3frb s GLU 132 N 1.34 4.14 -0.69 4.98 2.56 0.36 -4.57 118.70 126.80 3frb s GLU 132 Ca -0.05 0.39 -0.27 0.00 0.00 0.00 0.00 54.97 55.04 3frb s GLU 132 Cb -0.13 -3.33 0.03 0.00 2.00 0.00 0.00 34.13 32.70 3frb s GLU 132 CO -0.02 0.42 1.25 0.08 -0.56 0.00 0.00 175.26 176.43 3frb s VAL 133 N -0.21 3.81 0.17 3.70 1.01 -1.26 -0.76 120.40 126.85 3frb s VAL 133 Ca 0.24 0.53 0.11 0.00 0.00 0.00 0.00 61.98 62.85 3frb s VAL 133 Cb -0.16 -4.86 -0.07 0.00 0.00 0.00 0.00 36.38 31.29 3frb s VAL 133 CO 0.11 -1.71 1.49 0.00 0.00 0.00 0.00 175.10 174.99 3frb h ALA 134 N 9.89 0.72 -1.98 5.51 0.00 -0.72 -3.46 119.26 129.22 3frb h ALA 134 Ca -0.27 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.00 3frb h ALA 134 Cb 1.05 -0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.53 3frb h ALA 134 CO 1.25 0.90 0.35 -1.54 0.00 0.00 0.00 179.25 180.21 3frb s SER 135 N -6.71 -0.52 -0.12 0.00 1.04 -1.09 -4.97 113.70 101.34 3frb s SER 135 Ca 0.00 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 3frb s SER 135 Cb 0.11 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.73 3frb s SER 135 CO 0.77 -0.55 0.09 -0.55 0.98 0.00 0.00 173.24 173.98 3frb s SER 136 N -1.46 1.69 -0.16 7.02 0.15 -1.26 -1.21 113.70 118.48 3frb s SER 136 Ca -0.05 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3frb s SER 136 Cb -0.00 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 3frb s SER 136 CO 0.03 -0.30 -0.16 -0.69 1.20 0.00 0.00 173.24 173.31 3frb s VAL 137 N 2.18 1.75 0.05 4.45 1.01 -0.10 -4.96 120.40 124.77 3frb s VAL 137 Ca 0.04 -0.74 -0.34 0.00 0.00 0.00 0.00 61.98 60.94 3frb s VAL 137 Cb -0.14 -1.61 -0.12 0.00 0.00 0.00 0.00 36.38 34.51 3frb s VAL 137 CO -0.07 0.49 1.75 1.21 0.00 0.00 0.00 175.10 178.48 3frb n GLU 138 N 4.68 2.27 -1.90 2.72 2.13 -1.26 -0.54 120.64 128.73 3frb n GLU 138 Ca -0.18 0.83 -0.40 0.00 0.66 0.00 0.00 57.16 58.06 3frb n GLU 138 Cb 0.50 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3frb n GLU 138 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3frb s GLY 139 N 2.59 2.94 0.04 8.31 0.00 0.28 -4.91 107.32 116.57 3frb s GLY 139 Ca 0.85 1.42 -0.20 0.00 0.00 0.00 0.00 44.72 46.79 3frb s GLY 139 CO 0.44 2.05 0.60 0.54 0.00 0.00 0.00 173.10 176.73 3frb s LYS 140 N -2.21 4.28 0.12 2.90 1.02 -1.26 -4.62 119.74 119.97 3frb s LYS 140 Ca 0.56 0.76 -0.17 0.00 0.02 0.00 0.00 55.97 57.14 3frb s LYS 140 Cb -0.43 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.52 3frb s LYS 140 CO 0.56 0.49 0.57 -0.51 -0.92 0.00 0.00 175.35 175.54 3frb s LEU 141 N -0.61 4.42 0.00 3.17 1.43 -1.26 -4.91 118.68 120.92 3frb s LEU 141 Ca 0.31 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3frb s LEU 141 Cb -0.19 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3frb s LEU 141 CO 0.18 0.17 0.00 -0.90 0.23 0.00 0.00 176.35 176.04 3frb n ASP 142 N 1.19 0.00 0.11 2.29 3.85 -0.42 -4.97 116.55 118.60 3frb n ASP 142 Ca -0.07 -0.32 0.12 0.00 -0.71 0.00 0.00 54.79 53.80 3frb n ASP 142 Cb 0.51 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.47 3frb n ASP 142 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3frb h GLU 143 N 0.00 0.00 -0.00 0.11 5.08 -2.00 -2.40 114.58 115.37 3frb h GLU 143 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3frb h GLU 143 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3frb h GLU 143 CO 0.00 0.00 -0.71 0.87 -1.00 0.00 0.00 179.01 178.17 3frb h LYS 144 N 0.00 0.03 -2.87 2.33 1.79 -2.00 -3.44 116.57 112.42 3frb h LYS 144 Ca 0.00 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 3frb h LYS 144 Cb 0.85 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.11 3frb h LYS 144 CO 0.00 0.72 -0.80 -0.80 -1.08 0.00 0.00 179.45 177.50 3frb s ASN 145 N -6.83 3.42 0.00 0.86 0.01 -0.90 -4.50 114.94 107.00 3frb s ASN 145 Ca -0.01 -1.87 0.07 0.00 -0.71 0.00 0.00 52.86 50.34 3frb s ASN 145 Cb 0.12 -0.55 0.02 0.00 0.41 0.00 0.00 41.25 41.26 3frb s ASN 145 CO 0.78 -0.36 0.61 0.35 -1.51 0.00 0.00 177.10 176.96 3frb n THR 146 N 4.49 0.00 -3.76 1.60 -2.24 -1.23 -1.30 114.28 111.85 3frb n THR 146 Ca 0.03 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 60.99 3frb n THR 146 Cb 0.39 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 3frb n THR 146 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3frb s ILE 147 N -0.87 4.89 0.38 2.28 1.10 -1.26 -5.00 121.20 122.72 3frb s ILE 147 Ca 0.07 0.02 -0.27 0.00 -0.51 0.00 0.00 60.65 59.96 3frb s ILE 147 Cb 0.06 -3.28 -0.11 0.00 0.15 0.00 0.00 42.46 39.28 3frb s ILE 147 CO 0.14 0.35 1.24 -2.65 -2.11 0.00 0.00 174.94 171.90 3frb n PRO 148 N 4.48 1.93 -3.56 3.50 -0.02 -1.26 -4.87 135.00 135.20 3frb n PRO 148 Ca -0.15 0.68 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 3frb n PRO 148 Cb 0.52 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3frb n PRO 148 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3frb s HIS 149 N -1.16 -0.60 -0.05 6.00 -3.43 -1.26 -1.06 115.29 113.74 3frb s HIS 149 Ca 0.59 1.03 0.01 0.00 -0.80 0.00 0.00 55.06 55.89 3frb s HIS 149 Cb -0.55 0.36 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 3frb s HIS 149 CO 0.60 -0.57 -0.04 0.99 -2.00 0.00 0.00 174.74 173.72 3frb s THR 150 N -1.16 0.52 -0.33 -5.38 2.01 -0.30 0.10 115.64 111.10 3frb s THR 150 Ca -0.11 -0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 3frb s THR 150 Cb -0.01 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.94 3frb s THR 150 CO 0.09 0.23 0.70 -0.36 -0.69 0.00 0.00 174.62 174.59 3frb s PHE 151 N 1.05 3.17 -0.16 4.92 0.08 0.30 0.25 117.98 127.59 3frb s PHE 151 Ca -0.09 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.44 3frb s PHE 151 Cb -0.14 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.09 3frb s PHE 151 CO -0.01 -0.59 0.12 -0.51 -0.10 0.00 0.00 175.22 174.13 3frb s LEU 152 N 2.82 4.20 -0.31 -0.37 1.43 0.13 -0.92 118.68 125.66 3frb s LEU 152 Ca 0.28 0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 53.59 3frb s LEU 152 Cb -0.14 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3frb s LEU 152 CO 0.14 0.27 0.12 -2.28 0.23 0.00 0.00 176.35 174.83 3frb s HIS 153 N -0.19 3.17 -0.11 0.29 5.65 -0.35 -0.79 115.29 122.96 3frb s HIS 153 Ca 0.10 -0.82 -0.02 0.00 0.25 0.00 0.00 55.06 54.57 3frb s HIS 153 Cb -0.12 -2.31 -0.03 0.00 -1.18 0.00 0.00 32.58 28.95 3frb s HIS 153 CO 0.01 -0.54 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.00 3frb s LEU 154 N 1.55 3.24 -0.08 8.88 1.43 0.10 0.08 118.68 133.88 3frb s LEU 154 Ca 0.03 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3frb s LEU 154 Cb -0.17 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3frb s LEU 154 CO 0.04 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.09 3frb s ILE 155 N -0.23 2.79 0.25 -0.59 1.01 0.06 -0.76 121.20 123.72 3frb s ILE 155 Ca 0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 3frb s ILE 155 Cb -0.13 -2.10 -0.12 0.00 0.01 0.00 0.00 42.46 40.12 3frb s ILE 155 CO 0.02 0.56 1.67 -0.60 0.00 0.00 0.00 174.94 176.60 3frb s ARG 156 N -0.24 4.12 0.00 2.79 3.52 -1.06 -0.49 118.95 127.58 3frb s ARG 156 Ca 0.00 2.61 0.23 0.00 -0.13 0.00 0.00 55.73 58.44 3frb s ARG 156 Cb -0.13 -3.05 1.36 0.00 -1.56 0.00 0.00 34.95 31.58 3frb s ARG 156 CO 0.03 -0.71 1.73 1.63 -0.81 0.00 0.00 175.30 177.18