#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmr n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.09 113.62 110.15 2fmr n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fmr n SER 2 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2fmr n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2fmr n ARG 3 N -1.86 0.00 -3.98 -1.46 5.12 -1.26 -4.99 116.66 108.23 2fmr n ARG 3 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2fmr n ARG 3 Cb 0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2fmr s PHE 4 N 0.00 3.08 0.07 -1.55 0.08 -1.06 -5.08 117.98 113.52 2fmr s PHE 4 Ca 0.00 -2.40 0.05 0.00 0.12 0.00 0.00 56.93 54.70 2fmr s PHE 4 Cb 0.00 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 2fmr s PHE 4 CO 0.00 -0.88 -0.14 -3.38 -0.10 0.00 0.00 175.22 170.72 2fmr s HIS 5 N 1.15 1.18 0.07 0.36 -3.43 -1.26 -2.09 115.29 111.27 2fmr s HIS 5 Ca 0.02 -0.45 0.09 0.00 -0.80 0.00 0.00 55.06 53.92 2fmr s HIS 5 Cb -0.19 -0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 30.26 2fmr s HIS 5 CO -0.09 0.05 -0.24 -2.00 -2.00 0.00 0.00 174.74 170.46 2fmr s GLU 6 N -1.66 1.45 -0.00 -0.38 2.12 -1.13 -4.97 118.70 114.13 2fmr s GLU 6 Ca -0.02 -1.12 0.06 0.00 0.36 0.00 0.00 54.97 54.25 2fmr s GLU 6 Cb -0.10 -1.70 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 2fmr s GLU 6 CO 0.02 0.42 -0.18 -0.65 -0.54 0.00 0.00 175.26 174.33 2fmr s GLN 7 N -1.52 1.39 0.12 4.30 1.11 -1.26 -2.24 119.66 121.56 2fmr s GLN 7 Ca 0.10 -0.68 -0.21 0.00 0.01 0.00 0.00 55.36 54.58 2fmr s GLN 7 Cb -0.10 -1.37 0.06 0.00 -1.01 0.00 0.00 33.01 30.59 2fmr s GLN 7 CO 0.03 0.37 0.53 -0.59 0.01 0.00 0.00 175.29 175.65 2fmr s PHE 8 N -0.49 -0.43 -0.09 0.91 -0.71 -0.86 -4.98 117.98 111.33 2fmr s PHE 8 Ca 0.07 0.27 -0.04 0.00 -1.04 0.00 0.00 56.93 56.19 2fmr s PHE 8 Cb -0.07 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2fmr s PHE 8 CO -0.00 -0.76 0.07 0.96 -1.34 0.00 0.00 175.22 174.15 2fmr s ILE 9 N -3.40 4.87 -0.02 -4.49 -4.36 -1.26 -0.20 121.20 112.34 2fmr s ILE 9 Ca -0.00 -0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 2fmr s ILE 9 Cb -0.00 -3.11 0.01 0.00 1.25 0.00 0.00 42.46 40.61 2fmr s ILE 9 CO -0.10 0.58 -0.02 0.68 0.24 0.00 0.00 174.94 176.32 2fmr s VAL 10 N -0.99 0.22 1.01 8.37 -7.23 -1.26 -4.99 120.40 115.53 2fmr s VAL 10 Ca 0.15 -0.04 -0.13 0.00 -1.81 0.00 0.00 61.98 60.16 2fmr s VAL 10 Cb -0.12 -0.24 0.19 0.00 0.56 0.00 0.00 36.38 36.77 2fmr s VAL 10 CO 0.05 0.11 1.10 -0.13 -0.31 0.00 0.00 175.10 175.91 2fmr s ARG 11 N 0.43 0.35 0.56 4.82 0.52 -1.26 -4.64 118.95 119.73 2fmr s ARG 11 Ca -0.04 0.45 0.25 0.00 -0.52 0.00 0.00 55.73 55.88 2fmr s ARG 11 Cb -0.07 -1.73 1.52 0.00 0.52 0.00 0.00 34.95 35.18 2fmr s ARG 11 CO -0.01 -2.77 2.09 1.49 0.02 0.00 0.00 175.30 176.12 2fmr h GLU 12 N -1.92 0.00 0.16 3.54 4.81 -2.01 0.26 114.58 119.41 2fmr h GLU 12 Ca -0.55 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.42 2fmr h GLU 12 Cb 1.33 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.73 2fmr h GLU 12 CO 0.58 0.00 -1.25 0.22 -0.73 0.00 0.00 179.01 177.82 2fmr h ASP 13 N 0.00 0.51 0.96 1.04 1.82 -2.01 -3.30 116.42 115.44 2fmr h ASP 13 Ca 0.11 -0.91 0.00 0.00 -0.39 0.00 0.00 57.03 55.84 2fmr h ASP 13 Cb 0.50 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2fmr h ASP 13 CO -0.00 1.58 0.00 -0.07 -1.61 0.00 0.00 179.24 179.13 2fmr h LEU 14 N -0.21 0.00 0.00 2.28 3.38 -1.64 -3.35 115.31 115.77 2fmr h LEU 14 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2fmr h LEU 14 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2fmr h LEU 14 CO 0.14 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.90 2fmr n MET 15 N -2.41 0.00 0.00 1.13 2.81 0.81 -4.82 117.12 114.65 2fmr n MET 15 Ca 0.03 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 2fmr n MET 15 Cb 0.29 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 2fmr n MET 15 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2fmr n GLY 16 N -0.90 -1.96 2.00 3.03 0.00 -1.26 -4.95 105.19 101.16 2fmr n GLY 16 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2fmr n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fmr n LEU 17 N 0.00 -0.09 -1.89 0.99 7.94 -1.26 -5.02 117.00 117.67 2fmr n LEU 17 Ca 0.00 0.07 -0.14 0.00 -1.11 0.00 0.00 56.01 54.83 2fmr n LEU 17 Cb 0.00 0.17 -0.04 0.00 0.53 0.00 0.00 43.42 44.09 2fmr n LEU 17 CO 0.00 -0.52 -0.16 0.00 -1.11 0.00 0.00 177.39 175.61 2fmr n ALA 18 N -2.62 -0.46 -3.78 1.96 0.00 -1.26 -2.50 120.51 111.86 2fmr n ALA 18 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.29 2fmr n ALA 18 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 19.45 17.93 2fmr n ALA 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2fmr n ILE 19 N -2.67 -4.62 0.00 0.00 2.08 -1.26 -4.90 119.36 108.00 2fmr n ILE 19 Ca -0.15 -0.55 0.00 0.00 0.56 0.00 0.00 62.75 62.61 2fmr n ILE 19 Cb 0.54 -3.57 0.00 0.00 -0.75 0.00 0.00 39.64 35.86 2fmr n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2fmr n GLY 20 N -1.81 1.08 3.68 7.39 0.00 -1.04 -5.12 105.19 109.37 2fmr n GLY 20 Ca -0.15 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2fmr n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fmr s THR 21 N 0.00 3.24 -0.17 2.61 -4.23 -1.26 -4.82 115.64 111.01 2fmr s THR 21 Ca 0.00 0.60 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2fmr s THR 21 Cb 0.00 -3.39 0.21 0.00 1.34 0.00 0.00 72.50 70.66 2fmr s THR 21 CO 0.00 -0.01 1.24 1.57 -0.54 0.00 0.00 174.62 176.88 2fmr n HIS 22 N 5.94 -1.04 -0.00 3.99 -0.00 -1.26 -5.14 115.22 117.70 2fmr n HIS 22 Ca 0.16 -1.09 0.00 0.00 -0.00 0.00 0.00 57.72 56.79 2fmr n HIS 22 Cb 0.41 1.03 0.00 0.00 -0.00 0.00 0.00 29.99 31.44 2fmr n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fmr n GLY 23 N -0.78 1.02 2.94 1.57 0.00 -1.26 -5.12 105.19 103.56 2fmr n GLY 23 Ca -0.22 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 2fmr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fmr s ALA 24 N -1.00 -0.29 -0.03 4.61 0.00 -1.26 -5.05 121.76 118.74 2fmr s ALA 24 Ca 0.00 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.48 2fmr s ALA 24 Cb 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 23.12 22.34 2fmr s ALA 24 CO 0.00 -0.15 0.84 -0.91 0.00 0.00 0.00 175.76 175.53 2fmr h ASN 25 N 7.14 0.62 -0.70 0.00 2.35 -1.93 -3.11 115.58 119.95 2fmr h ASN 25 Ca -0.42 -0.92 0.14 0.00 -0.55 0.00 0.00 56.30 54.55 2fmr h ASN 25 Cb 1.15 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 2fmr h ASN 25 CO 0.42 1.62 0.47 0.16 -1.65 0.00 0.00 177.43 178.46 2fmr h ILE 26 N -0.08 0.80 -0.04 2.81 3.07 -1.93 -0.56 117.51 121.58 2fmr h ILE 26 Ca -0.25 -0.12 -0.06 0.00 1.55 0.00 0.00 64.86 65.98 2fmr h ILE 26 Cb 1.94 0.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 2fmr h ILE 26 CO 0.19 0.07 -0.21 1.56 -1.05 0.00 0.00 178.15 178.71 2fmr h GLN 27 N 0.36 0.21 0.29 0.16 4.20 -1.99 -2.76 115.11 115.59 2fmr h GLN 27 Ca 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2fmr h GLN 27 Cb 0.82 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2fmr h GLN 27 CO -0.10 0.83 -0.36 1.96 -0.67 0.00 0.00 178.83 180.49 2fmr h GLN 28 N -0.35 -0.68 -0.90 1.46 1.08 -1.19 0.34 115.11 114.87 2fmr h GLN 28 Ca -0.01 0.05 0.17 0.00 -1.45 0.00 0.00 58.65 57.41 2fmr h GLN 28 Cb 0.87 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.38 2fmr h GLN 28 CO 0.04 -0.45 0.58 0.00 -0.95 0.00 0.00 178.83 178.06 2fmr h ALA 29 N -0.22 1.97 -0.16 3.87 0.00 -1.25 0.31 119.26 123.79 2fmr h ALA 29 Ca -0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2fmr h ALA 29 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2fmr h ALA 29 CO -0.11 -0.25 -0.36 -0.09 0.00 0.00 0.00 179.25 178.44 2fmr h ARG 30 N 0.57 0.33 -0.37 0.00 2.43 -0.98 -2.83 114.38 113.54 2fmr h ARG 30 Ca 0.47 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.39 2fmr h ARG 30 Cb 0.93 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2fmr h ARG 30 CO -0.21 0.65 -0.20 0.87 -1.51 0.00 0.00 179.97 179.57 2fmr h LYS 31 N 0.28 0.71 -6.82 0.20 1.57 0.17 -3.44 116.57 109.24 2fmr h LYS 31 Ca 0.03 -0.27 -0.55 0.00 -1.87 0.00 0.00 60.65 57.99 2fmr h LYS 31 Cb 0.78 -0.04 0.11 0.00 0.08 0.00 0.00 32.23 33.15 2fmr h LYS 31 CO 0.06 0.85 0.66 0.28 -0.57 0.00 0.00 179.45 180.74 2fmr n VAL 32 N -4.13 1.81 -2.42 0.50 0.31 -0.74 -4.90 118.33 108.77 2fmr n VAL 32 Ca 0.00 -0.45 -0.41 0.00 -0.01 0.00 0.00 64.34 63.47 2fmr n VAL 32 Cb 0.41 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 2fmr n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2fmr s PRO 33 N -1.70 3.25 0.00 5.55 0.04 -1.26 -3.84 135.00 137.04 2fmr s PRO 33 Ca 0.56 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2fmr s PRO 33 Cb -0.53 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2fmr s PRO 33 CO 0.60 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2fmr n GLY 34 N 5.29 0.78 3.53 0.56 0.00 -1.26 -4.78 105.19 109.31 2fmr n GLY 34 Ca 0.10 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2fmr n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fmr n VAL 35 N 0.00 0.02 0.14 1.61 0.31 -1.25 -1.80 118.33 117.37 2fmr n VAL 35 Ca 0.00 -0.55 0.02 0.00 -0.01 0.00 0.00 64.34 63.81 2fmr n VAL 35 Cb 0.00 -2.22 0.07 0.00 -0.91 0.00 0.00 33.84 30.77 2fmr n VAL 35 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2fmr h THR 36 N 7.60 0.92 -1.90 2.52 1.35 -0.66 -3.47 112.91 119.27 2fmr h THR 36 Ca -0.24 -2.19 0.19 0.00 -0.55 0.00 0.00 66.41 63.62 2fmr h THR 36 Cb 1.28 2.37 -0.16 0.00 -1.73 0.00 0.00 68.15 69.91 2fmr h THR 36 CO 1.15 0.50 0.65 0.00 -0.25 0.00 0.00 175.52 177.57 2fmr s ALA 37 N -3.04 -1.94 -0.02 6.62 0.00 -0.82 -5.06 121.76 117.49 2fmr s ALA 37 Ca 0.03 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.22 2fmr s ALA 37 Cb 0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2fmr s ALA 37 CO 0.74 -0.69 -0.14 -1.50 0.00 0.00 0.00 175.76 174.17 2fmr s ILE 38 N -2.79 1.14 0.05 0.00 2.07 -1.26 -1.49 121.20 118.92 2fmr s ILE 38 Ca 0.08 -0.60 0.05 0.00 -1.41 0.00 0.00 60.65 58.77 2fmr s ILE 38 Cb -0.01 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 2fmr s ILE 38 CO -0.06 0.33 -0.13 -0.62 -1.91 0.00 0.00 174.94 172.55 2fmr s ASP 39 N -0.16 1.54 0.26 4.50 -1.08 -1.00 -5.00 116.67 115.72 2fmr s ASP 39 Ca 0.02 -0.54 0.11 0.00 -0.52 0.00 0.00 52.55 51.63 2fmr s ASP 39 Cb -0.07 -0.06 -0.05 0.00 -1.46 0.00 0.00 42.92 41.28 2fmr s ASP 39 CO 0.00 -0.05 -0.20 -0.22 0.52 0.00 0.00 175.17 175.22 2fmr s LEU 40 N -1.46 2.56 -0.11 -1.34 2.96 -1.26 -2.47 118.68 117.55 2fmr s LEU 40 Ca -0.02 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 2fmr s LEU 40 Cb -0.09 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.54 2fmr s LEU 40 CO 0.02 0.03 -0.22 -1.81 -1.32 0.00 0.00 176.35 173.04 2fmr s ASP 41 N -3.34 3.20 -0.13 3.68 1.11 -1.11 -4.97 116.67 115.10 2fmr s ASP 41 Ca 0.27 -0.54 -0.11 0.00 0.18 0.00 0.00 52.55 52.35 2fmr s ASP 41 Cb -0.05 -1.44 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 2fmr s ASP 41 CO 0.13 0.14 -0.21 -0.62 1.18 0.00 0.00 175.17 175.80 2fmr n GLU 42 N 3.66 0.41 0.02 8.23 1.02 -1.26 -4.02 120.64 128.69 2fmr n GLU 42 Ca -0.19 0.38 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 2fmr n GLU 42 Cb 0.53 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 2fmr n GLU 42 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2fmr h ASP 43 N -0.86 -1.29 -3.59 1.62 5.19 -2.01 -3.32 116.42 112.17 2fmr h ASP 43 Ca 0.00 0.15 -0.73 0.00 -0.62 0.00 0.00 57.03 55.83 2fmr h ASP 43 Cb 0.59 0.50 -0.30 0.00 0.18 0.00 0.00 39.33 40.29 2fmr h ASP 43 CO 0.00 -0.38 -0.31 -0.89 -3.12 0.00 0.00 179.24 174.54 2fmr s THR 44 N -5.06 4.28 -0.83 0.35 2.01 -1.26 -5.02 115.64 110.11 2fmr s THR 44 Ca -0.12 -2.19 -0.33 0.00 0.31 0.00 0.00 61.69 59.36 2fmr s THR 44 Cb 0.05 -3.78 -0.20 0.00 0.01 0.00 0.00 72.50 68.58 2fmr s THR 44 CO 0.46 -0.84 2.55 0.00 -0.69 0.00 0.00 174.62 176.10 2fmr s THR 46 N 8.63 0.05 -0.12 0.00 2.01 -1.26 -4.76 115.64 120.20 2fmr s THR 46 Ca 1.29 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.61 2fmr s THR 46 Cb -1.20 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 69.96 2fmr s THR 46 CO 0.50 -0.24 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.62 2fmr s PHE 47 N -3.84 2.43 -0.08 4.92 0.08 0.72 -2.76 117.98 119.46 2fmr s PHE 47 Ca 0.06 -1.12 0.05 0.00 0.12 0.00 0.00 56.93 56.05 2fmr s PHE 47 Cb 0.01 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 2fmr s PHE 47 CO -0.08 -0.50 -0.24 -1.01 -0.10 0.00 0.00 175.22 173.29 2fmr s HIS 48 N 0.66 2.51 -0.08 0.36 3.76 -1.03 -2.02 115.29 119.44 2fmr s HIS 48 Ca -0.12 -0.86 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 2fmr s HIS 48 Cb -0.16 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 2fmr s HIS 48 CO 0.03 -0.30 -0.24 0.42 -0.85 0.00 0.00 174.74 173.80 2fmr s ILE 49 N 0.06 2.14 -0.34 0.60 -1.09 -0.95 -2.38 121.20 119.25 2fmr s ILE 49 Ca -0.10 -1.01 0.02 0.00 -2.23 0.00 0.00 60.65 57.32 2fmr s ILE 49 Cb -0.16 -1.80 0.09 0.00 -1.58 0.00 0.00 42.46 39.01 2fmr s ILE 49 CO 0.06 0.56 0.05 -0.31 -1.23 0.00 0.00 174.94 174.07 2fmr s TYR 50 N 0.12 3.59 0.36 3.97 2.02 -0.56 -2.84 117.35 124.01 2fmr s TYR 50 Ca -0.12 -2.64 0.07 0.00 -0.37 0.00 0.00 57.07 54.01 2fmr s TYR 50 Cb -0.16 -2.73 -0.07 0.00 -0.40 0.00 0.00 41.96 38.60 2fmr s TYR 50 CO 0.06 -0.93 -0.01 0.20 -1.57 0.00 0.00 175.55 173.30 2fmr s GLY 51 N 1.17 2.27 -0.04 0.71 0.00 -0.89 0.10 107.32 110.64 2fmr s GLY 51 Ca 0.05 -2.16 0.16 0.00 0.00 0.00 0.00 44.72 42.77 2fmr s GLY 51 CO -0.06 -2.00 0.30 -1.84 0.00 0.00 0.00 173.10 169.50 2fmr n GLU 52 N -0.83 0.66 -4.04 2.90 0.28 -0.74 -2.57 120.64 116.30 2fmr n GLU 52 Ca -0.05 -0.12 -0.35 0.00 -0.16 0.00 0.00 57.16 56.48 2fmr n GLU 52 Cb 0.66 -1.38 -0.12 0.00 1.43 0.00 0.00 31.44 32.02 2fmr n GLU 52 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2fmr s ASP 53 N -4.01 5.03 0.55 -1.84 -1.08 -1.26 -4.72 116.67 109.34 2fmr s ASP 53 Ca -0.06 -0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.10 2fmr s ASP 53 Cb 0.09 -1.87 1.46 0.00 -1.46 0.00 0.00 42.92 41.15 2fmr s ASP 53 CO 0.66 0.08 1.96 0.06 0.52 0.00 0.00 175.17 178.44 2fmr h GLN 54 N 7.42 0.00 0.00 4.34 3.07 -1.91 0.41 115.11 128.43 2fmr h GLN 54 Ca -0.36 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.21 2fmr h GLN 54 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.71 2fmr h GLN 54 CO 0.62 0.00 -0.84 -0.44 0.09 0.00 0.00 178.83 178.26 2fmr h ASP 55 N 0.00 0.00 0.54 0.06 3.32 -1.98 -3.07 116.42 115.29 2fmr h ASP 55 Ca 0.26 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 2fmr h ASP 55 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2fmr h ASP 55 CO -0.00 0.84 -0.79 0.00 -1.72 0.00 0.00 179.24 177.57 2fmr h ALA 56 N 1.16 0.63 -0.17 3.45 0.00 -0.53 -2.44 119.26 121.37 2fmr h ALA 56 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2fmr h ALA 56 Cb 1.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2fmr h ALA 56 CO 0.11 0.87 -0.05 0.28 0.00 0.00 0.00 179.25 180.45 2fmr h VAL 57 N 0.12 1.30 0.68 0.00 2.07 -1.31 -1.16 116.25 117.93 2fmr h VAL 57 Ca -0.03 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.41 2fmr h VAL 57 Cb 1.38 1.64 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2fmr h VAL 57 CO 0.12 0.31 -0.32 0.11 0.02 0.00 0.00 177.57 177.81 2fmr h LYS 58 N 0.03 -0.87 -0.61 1.57 1.57 -1.58 -1.15 116.57 115.53 2fmr h LYS 58 Ca 0.04 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2fmr h LYS 58 Cb 0.50 0.20 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 2fmr h LYS 58 CO 0.02 -0.55 0.11 0.87 -0.57 0.00 0.00 179.45 179.33 2fmr h LYS 59 N -1.12 0.22 -0.76 3.15 1.57 -1.52 0.82 116.57 118.94 2fmr h LYS 59 Ca -0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2fmr h LYS 59 Cb 0.73 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 2fmr h LYS 59 CO 0.15 0.15 0.49 0.00 -0.57 0.00 0.00 179.45 179.67 2fmr h ALA 60 N 1.51 1.43 -0.76 3.86 0.00 -1.18 -2.09 119.26 122.03 2fmr h ALA 60 Ca 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2fmr h ALA 60 Cb 0.50 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2fmr h ALA 60 CO -0.44 0.51 0.26 -0.09 0.00 0.00 0.00 179.25 179.50 2fmr h ARG 61 N 1.03 1.17 0.29 0.00 1.12 0.44 -1.95 114.38 116.49 2fmr h ARG 61 Ca 0.28 -0.24 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2fmr h ARG 61 Cb -0.10 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.68 2fmr h ARG 61 CO -0.06 0.98 -0.22 0.77 -3.11 0.00 0.00 179.97 178.33 2fmr h SER 62 N 1.13 -0.57 0.67 -3.80 0.02 -0.56 0.28 113.55 110.71 2fmr h SER 62 Ca 0.25 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 2fmr h SER 62 Cb 0.28 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2fmr h SER 62 CO -0.01 -0.34 -0.46 -0.26 -1.14 0.00 0.00 176.83 174.62 2fmr h PHE 63 N -0.52 -1.24 -1.01 3.45 0.04 -1.40 -2.51 116.94 113.75 2fmr h PHE 63 Ca -0.02 -0.01 0.23 0.00 2.80 0.00 0.00 57.97 60.97 2fmr h PHE 63 Cb 0.45 0.46 -0.12 0.00 2.20 0.00 0.00 35.95 38.94 2fmr h PHE 63 CO -0.12 -0.67 0.60 -0.07 -0.60 0.00 0.00 178.31 177.44 2fmr h LEU 64 N -1.08 0.71 0.00 1.54 3.38 -1.32 -3.46 115.31 115.08 2fmr h LEU 64 Ca -0.08 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2fmr h LEU 64 Cb 0.89 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2fmr h LEU 64 CO 0.05 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.12