#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 -6.31 0.04 0.00 3.41 -1.26 -4.91 113.62 104.58 2fmr n SER 2 Ca 0.00 1.00 -0.07 0.00 -0.26 0.00 0.00 58.87 59.54 2fmr n SER 2 Cb 0.00 -3.48 -0.12 0.00 -0.26 0.00 0.00 64.21 60.35 2fmr n SER 2 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2fmr h ARG 3 N 3.70 0.00 -6.35 4.33 1.12 -1.84 -3.46 114.38 111.88 2fmr h ARG 3 Ca -0.09 0.00 -0.60 0.00 -1.11 0.00 0.00 59.98 58.18 2fmr h ARG 3 Cb 0.55 0.00 -0.23 0.00 -0.01 0.00 0.00 29.97 30.28 2fmr h ARG 3 CO 0.04 0.82 -0.84 -0.06 -3.11 0.00 0.00 179.97 176.82 2fmr s PHE 4 N -2.69 1.94 0.38 2.20 0.08 -0.73 -5.04 117.98 114.12 2fmr s PHE 4 Ca -0.01 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 2fmr s PHE 4 Cb 0.09 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2fmr s PHE 4 CO 0.82 0.20 0.66 -3.38 -0.10 0.00 0.00 175.22 173.42 2fmr s HIS 5 N -1.03 0.54 -0.11 0.36 -3.43 -1.26 -1.44 115.29 108.92 2fmr s HIS 5 Ca 0.09 -1.04 -0.10 0.00 -0.80 0.00 0.00 55.06 53.21 2fmr s HIS 5 Cb -0.10 0.46 0.03 0.00 -1.43 0.00 0.00 32.58 31.54 2fmr s HIS 5 CO 0.04 -1.41 0.30 -2.00 -2.00 0.00 0.00 174.74 169.67 2fmr s GLU 6 N -2.53 0.35 -0.15 -0.38 2.56 -1.03 -4.97 118.70 112.55 2fmr s GLU 6 Ca 0.22 0.43 -0.03 0.00 0.00 0.00 0.00 54.97 55.59 2fmr s GLU 6 Cb -0.03 0.17 0.05 0.00 2.00 0.00 0.00 34.13 36.31 2fmr s GLU 6 CO 0.16 -0.05 0.04 1.14 -0.56 0.00 0.00 175.26 176.00 2fmr s GLN 7 N 0.19 0.43 -0.02 4.30 1.03 -1.25 -2.08 119.66 122.25 2fmr s GLN 7 Ca -0.00 -0.15 0.01 0.00 0.04 0.00 0.00 55.36 55.26 2fmr s GLN 7 Cb -0.02 -1.65 0.01 0.00 0.03 0.00 0.00 33.01 31.38 2fmr s GLN 7 CO 0.00 -0.55 -0.03 -0.59 -2.54 0.00 0.00 175.29 171.58 2fmr s PHE 8 N 1.98 0.47 0.41 9.60 -0.71 -1.14 -4.94 117.98 123.66 2fmr s PHE 8 Ca 0.02 -0.09 -0.26 0.00 -1.04 0.00 0.00 56.93 55.56 2fmr s PHE 8 Cb -0.15 -0.39 -0.10 0.00 -1.21 0.00 0.00 43.02 41.17 2fmr s PHE 8 CO -0.07 -0.08 1.43 0.44 -1.34 0.00 0.00 175.22 175.60 2fmr n ILE 9 N 3.51 2.42 -4.82 -4.49 -5.35 -1.26 -2.00 119.36 107.37 2fmr n ILE 9 Ca -0.19 -0.50 -0.25 0.00 -0.27 0.00 0.00 62.75 61.53 2fmr n ILE 9 Cb 0.54 -1.86 -0.16 0.00 -1.74 0.00 0.00 39.64 36.43 2fmr n ILE 9 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2fmr s VAL 10 N -1.16 1.38 0.31 7.28 1.01 -1.26 -4.89 120.40 123.07 2fmr s VAL 10 Ca 0.58 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2fmr s VAL 10 Cb -0.47 -1.17 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 2fmr s VAL 10 CO 0.60 0.40 1.20 -0.13 0.00 0.00 0.00 175.10 177.17 2fmr s ARG 11 N -0.18 4.50 0.38 2.72 3.00 -1.26 -4.83 118.95 123.28 2fmr s ARG 11 Ca 0.01 2.00 0.09 0.00 0.00 0.00 0.00 55.73 57.83 2fmr s ARG 11 Cb -0.09 -3.13 0.83 0.00 0.00 0.00 0.00 34.95 32.56 2fmr s ARG 11 CO 0.01 0.02 1.95 1.49 0.00 0.00 0.00 175.30 178.76 2fmr h GLU 12 N 3.59 0.64 -0.00 3.54 4.81 -2.00 0.15 114.58 125.31 2fmr h GLU 12 Ca -0.48 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.54 2fmr h GLU 12 Cb 1.22 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2fmr h GLU 12 CO 0.66 0.42 -0.80 0.22 -0.73 0.00 0.00 179.01 178.78 2fmr h ASP 13 N 0.66 0.12 -0.80 1.04 1.82 -2.00 -3.20 116.42 114.05 2fmr h ASP 13 Ca 0.33 -0.09 -0.52 0.00 -0.39 0.00 0.00 57.03 56.36 2fmr h ASP 13 Cb 0.42 -0.04 -0.29 0.00 0.68 0.00 0.00 39.33 40.11 2fmr h ASP 13 CO -0.12 0.87 0.22 0.18 -1.61 0.00 0.00 179.24 178.78 2fmr n LEU 14 N -3.65 6.14 0.06 2.28 4.77 -0.09 -4.59 117.00 121.92 2fmr n LEU 14 Ca -0.02 -4.22 -0.18 0.00 -0.03 0.00 0.00 56.01 51.57 2fmr n LEU 14 Cb 0.76 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2fmr n LEU 14 CO 0.45 1.54 0.08 -0.03 -1.33 0.00 0.00 177.39 178.10 2fmr h MET 15 N 1.71 0.57 0.00 3.23 4.05 -0.78 -3.40 114.93 120.30 2fmr h MET 15 Ca 0.47 -0.65 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2fmr h MET 15 Cb 1.45 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.45 2fmr h MET 15 CO 1.07 1.26 0.00 0.41 0.23 0.00 0.00 176.91 179.88 2fmr n GLY 16 N 1.11 0.97 2.51 1.39 0.00 -1.26 -5.05 105.19 104.85 2fmr n GLY 16 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2fmr n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fmr s LEU 17 N 0.00 1.28 0.01 0.99 0.20 -1.26 -4.94 118.68 114.96 2fmr s LEU 17 Ca 0.00 -2.27 0.01 0.00 0.69 0.00 0.00 54.13 52.57 2fmr s LEU 17 Cb 0.00 -0.51 -0.01 0.00 -0.43 0.00 0.00 46.19 45.24 2fmr s LEU 17 CO 0.00 -0.30 -0.04 0.00 -0.29 0.00 0.00 176.35 175.72 2fmr s ALA 18 N 0.94 0.31 -1.08 5.97 0.00 -1.26 -5.08 121.76 121.56 2fmr s ALA 18 Ca 0.18 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2fmr s ALA 18 Cb -0.23 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 22.99 2fmr s ALA 18 CO 0.01 0.02 1.37 0.42 0.00 0.00 0.00 175.76 177.57 2fmr s ILE 19 N -0.55 4.55 0.00 0.00 1.09 -1.26 -4.02 121.20 121.01 2fmr s ILE 19 Ca -0.04 -1.74 0.00 0.00 -1.10 0.00 0.00 60.65 57.77 2fmr s ILE 19 Cb -0.04 -4.94 0.00 0.00 -1.06 0.00 0.00 42.46 36.42 2fmr s ILE 19 CO -0.00 -1.70 0.00 0.61 -0.10 0.00 0.00 174.94 173.74 2fmr n GLY 20 N 5.40 -2.18 2.32 6.18 0.00 -1.26 -4.99 105.19 110.66 2fmr n GLY 20 Ca 0.33 0.69 -0.28 0.00 0.00 0.00 0.00 46.02 46.77 2fmr n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fmr n THR 21 N -0.72 2.64 -1.15 2.61 -2.24 -1.26 -5.06 114.28 109.09 2fmr n THR 21 Ca 0.00 -4.43 -0.30 0.00 -2.27 0.00 0.00 64.05 57.04 2fmr n THR 21 Cb 0.00 -1.21 0.12 0.00 -2.10 0.00 0.00 70.33 67.15 2fmr n THR 21 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2fmr s HIS 22 N -3.63 2.34 -0.91 4.78 -0.00 -1.26 -3.86 115.29 112.75 2fmr s HIS 22 Ca 0.51 1.47 -0.05 0.00 -0.00 0.00 0.00 55.06 56.99 2fmr s HIS 22 Cb 0.42 -3.12 0.01 0.00 -0.00 0.00 0.00 32.58 29.88 2fmr s HIS 22 CO -0.10 -2.19 0.63 0.41 -0.00 0.00 0.00 174.74 173.48 2fmr n GLY 23 N -0.95 -0.03 0.00 -1.38 0.00 -1.26 -4.91 105.19 96.66 2fmr n GLY 23 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2fmr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fmr n ALA 24 N -3.68 1.85 -0.02 4.61 0.00 -1.25 -4.71 120.51 117.31 2fmr n ALA 24 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 2fmr n ALA 24 Cb 0.55 0.26 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 2fmr n ALA 24 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2fmr h ASN 25 N 0.00 0.00 -0.82 0.00 7.08 -1.85 -3.35 115.58 116.64 2fmr h ASN 25 Ca 0.00 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 53.34 2fmr h ASN 25 Cb 0.78 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.94 2fmr h ASN 25 CO 0.00 0.24 0.44 0.16 -2.08 0.00 0.00 177.43 176.20 2fmr h ILE 26 N -0.38 0.82 -0.61 6.14 3.07 -1.91 -2.07 117.51 122.57 2fmr h ILE 26 Ca 0.00 -0.24 0.11 0.00 1.55 0.00 0.00 64.86 66.28 2fmr h ILE 26 Cb 0.11 0.07 -0.08 0.00 -0.27 0.00 0.00 36.82 36.64 2fmr h ILE 26 CO 0.00 0.13 0.17 1.56 -1.05 0.00 0.00 178.15 178.96 2fmr h GLN 27 N 0.70 0.31 -0.26 0.16 1.08 -1.84 -1.43 115.11 113.82 2fmr h GLN 27 Ca 0.42 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2fmr h GLN 27 Cb 0.49 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2fmr h GLN 27 CO -0.30 0.21 0.11 1.96 -0.95 0.00 0.00 178.83 179.86 2fmr h GLN 28 N 0.32 0.24 -0.36 1.46 4.20 -1.51 -0.12 115.11 119.34 2fmr h GLN 28 Ca 0.32 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.11 2fmr h GLN 28 Cb 0.45 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2fmr h GLN 28 CO -0.37 0.16 0.26 0.00 -0.67 0.00 0.00 178.83 178.21 2fmr h ALA 29 N 1.15 2.29 0.12 3.87 0.00 -1.13 -0.90 119.26 124.66 2fmr h ALA 29 Ca 0.11 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 2fmr h ALA 29 Cb 0.06 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.89 2fmr h ALA 29 CO -0.10 -0.39 -1.24 0.00 0.00 0.00 0.00 179.25 177.52 2fmr h ARG 30 N 0.04 0.57 0.00 0.00 3.08 -0.27 -3.23 114.38 114.56 2fmr h ARG 30 Ca 0.17 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 2fmr h ARG 30 Cb 0.63 0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 2fmr h ARG 30 CO -0.01 1.35 -0.09 0.87 -1.07 0.00 0.00 179.97 181.02 2fmr h LYS 31 N 0.24 0.00 -6.59 0.04 1.57 0.31 -3.43 116.57 108.71 2fmr h LYS 31 Ca -0.18 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.08 2fmr h LYS 31 Cb 1.91 0.00 0.05 0.00 0.08 0.00 0.00 32.23 34.27 2fmr h LYS 31 CO 0.23 0.09 1.02 0.08 -0.57 0.00 0.00 179.45 180.30 2fmr s VAL 32 N -4.74 2.32 -1.28 0.50 1.01 -0.84 -4.88 120.40 112.48 2fmr s VAL 32 Ca -0.04 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2fmr s VAL 32 Cb 0.16 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2fmr s VAL 32 CO 0.65 0.01 1.92 -0.81 0.00 0.00 0.00 175.10 176.87 2fmr n PRO 33 N 4.58 2.73 0.00 2.72 -0.04 -1.26 -3.56 135.00 140.17 2fmr n PRO 33 Ca 0.16 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 2fmr n PRO 33 Cb 0.37 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 2fmr n PRO 33 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fmr n GLY 34 N 5.01 -0.15 3.54 0.55 0.00 -1.26 -4.97 105.19 107.91 2fmr n GLY 34 Ca 0.49 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.73 0.00 0.06 1.61 0.31 -1.23 -3.48 118.33 113.86 2fmr n VAL 35 Ca 0.00 -0.18 0.21 0.00 -0.01 0.00 0.00 64.34 64.36 2fmr n VAL 35 Cb 0.00 -1.86 0.71 0.00 -0.91 0.00 0.00 33.84 31.78 2fmr n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fmr h THR 36 N 7.02 0.30 0.00 2.52 1.03 0.17 -3.43 112.91 120.52 2fmr h THR 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2fmr h THR 36 Cb 1.00 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2fmr h THR 36 CO 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.52 2fmr n ALA 37 N -2.31 0.00 -2.33 0.00 0.00 -1.02 -5.04 120.51 109.82 2fmr n ALA 37 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2fmr n ALA 37 Cb 0.74 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.03 2fmr n ALA 37 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2fmr s ILE 38 N -1.46 2.04 0.09 0.00 2.07 -1.26 -1.55 121.20 121.13 2fmr s ILE 38 Ca 0.00 -1.17 -0.06 0.00 -1.41 0.00 0.00 60.65 58.01 2fmr s ILE 38 Cb 0.00 -1.71 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 2fmr s ILE 38 CO 0.00 0.51 0.14 -0.62 -1.91 0.00 0.00 174.94 173.06 2fmr s ASP 39 N -0.77 0.22 0.17 4.50 2.15 -1.01 -5.05 116.67 116.88 2fmr s ASP 39 Ca 0.10 -0.81 0.10 0.00 0.43 0.00 0.00 52.55 52.37 2fmr s ASP 39 Cb -0.10 0.31 -0.04 0.00 -0.30 0.00 0.00 42.92 42.79 2fmr s ASP 39 CO -0.00 -0.72 -0.23 -0.22 -0.17 0.00 0.00 175.17 173.83 2fmr s LEU 40 N -2.91 2.40 0.30 -1.34 2.96 -1.26 -2.52 118.68 116.31 2fmr s LEU 40 Ca 0.09 -0.82 0.11 0.00 -0.22 0.00 0.00 54.13 53.28 2fmr s LEU 40 Cb 0.06 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.61 2fmr s LEU 40 CO -0.08 0.10 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.09 2fmr s ASP 41 N -2.47 3.72 0.00 3.68 1.11 -0.96 -4.99 116.67 116.76 2fmr s ASP 41 Ca 0.17 -1.05 0.00 0.00 0.18 0.00 0.00 52.55 51.85 2fmr s ASP 41 Cb -0.08 -0.36 0.00 0.00 1.07 0.00 0.00 42.92 43.55 2fmr s ASP 41 CO 0.08 -0.05 0.00 -0.62 1.18 0.00 0.00 175.17 175.76 2fmr n GLU 42 N -0.70 0.00 -0.12 8.23 1.02 -1.26 -3.95 120.64 123.85 2fmr n GLU 42 Ca -0.05 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.25 2fmr n GLU 42 Cb 0.61 -0.27 0.54 0.00 -0.02 0.00 0.00 31.44 32.31 2fmr n GLU 42 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2fmr h ASP 43 N 0.00 0.31 0.00 1.62 3.04 -2.00 -2.47 116.42 116.92 2fmr h ASP 43 Ca 0.00 0.02 -0.03 0.00 -3.24 0.00 0.00 57.03 53.78 2fmr h ASP 43 Cb 0.47 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 38.71 2fmr h ASP 43 CO 0.00 0.16 -1.53 1.07 -2.04 0.00 0.00 179.24 176.90 2fmr n THR 44 N -4.45 0.10 -2.69 1.15 5.66 -1.26 -5.07 114.28 107.71 2fmr n THR 44 Ca 0.13 -0.28 -0.06 0.00 -3.05 0.00 0.00 64.05 60.80 2fmr n THR 44 Cb 0.53 0.11 0.01 0.00 -1.55 0.00 0.00 70.33 69.43 2fmr n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fmr s THR 46 N -2.27 0.00 -0.14 0.00 2.01 -1.25 -4.09 115.64 109.90 2fmr s THR 46 Ca 0.18 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2fmr s THR 46 Cb -0.05 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.55 2fmr s THR 46 CO 0.69 -0.02 -0.16 0.12 -0.69 0.00 0.00 174.62 174.57 2fmr s PHE 47 N -3.92 2.75 -0.11 4.92 5.36 -0.85 -2.26 117.98 123.87 2fmr s PHE 47 Ca 0.12 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 55.21 2fmr s PHE 47 Cb -0.04 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.79 2fmr s PHE 47 CO 0.04 -0.38 -0.20 -1.01 -1.46 0.00 0.00 175.22 172.22 2fmr s HIS 48 N 0.58 2.66 -0.07 10.12 3.76 -1.05 -2.88 115.29 128.42 2fmr s HIS 48 Ca -0.09 -0.90 0.05 0.00 -0.15 0.00 0.00 55.06 53.97 2fmr s HIS 48 Cb -0.16 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 2fmr s HIS 48 CO 0.03 -0.35 -0.24 0.42 -0.85 0.00 0.00 174.74 173.76 2fmr s ILE 49 N 0.37 2.15 -0.26 0.60 -1.09 -0.89 -2.40 121.20 119.68 2fmr s ILE 49 Ca -0.15 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 2fmr s ILE 49 Cb -0.17 -1.79 0.05 0.00 -1.58 0.00 0.00 42.46 38.96 2fmr s ILE 49 CO 0.07 0.57 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.95 2fmr s TYR 50 N -0.04 3.17 0.29 3.97 2.02 -0.60 -2.48 117.35 123.68 2fmr s TYR 50 Ca -0.07 -2.00 0.04 0.00 -0.37 0.00 0.00 57.07 54.67 2fmr s TYR 50 Cb -0.15 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2fmr s TYR 50 CO 0.05 -0.83 0.24 0.20 -1.57 0.00 0.00 175.55 173.64 2fmr s GLY 51 N 1.20 1.99 -0.07 0.71 0.00 -0.52 0.19 107.32 110.81 2fmr s GLY 51 Ca -0.05 -1.92 0.13 0.00 0.00 0.00 0.00 44.72 42.88 2fmr s GLY 51 CO -0.05 -1.42 0.18 -1.84 0.00 0.00 0.00 173.10 169.97 2fmr n GLU 52 N -0.50 1.12 -4.78 2.90 0.28 -1.23 -1.78 120.64 116.65 2fmr n GLU 52 Ca 0.05 -0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 56.65 2fmr n GLU 52 Cb 0.63 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 32.03 2fmr n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2fmr s ASP 53 N -4.10 4.04 0.36 -1.84 1.01 -1.26 -4.51 116.67 110.37 2fmr s ASP 53 Ca -0.06 -0.30 0.08 0.00 0.71 0.00 0.00 52.55 52.98 2fmr s ASP 53 Cb 0.07 -1.53 0.79 0.00 1.01 0.00 0.00 42.92 43.26 2fmr s ASP 53 CO 0.56 0.19 1.91 -0.61 0.21 0.00 0.00 175.17 177.43 2fmr h GLN 54 N 6.54 0.69 -0.12 8.23 4.15 -1.95 0.94 115.11 133.59 2fmr h GLN 54 Ca -0.28 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.04 2fmr h GLN 54 Cb 1.21 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2fmr h GLN 54 CO 0.55 0.46 -0.20 0.22 -1.93 0.00 0.00 178.83 177.93 2fmr h ASP 55 N 0.71 0.20 -0.05 -0.69 1.82 -1.99 -0.94 116.42 115.48 2fmr h ASP 55 Ca 0.38 -0.05 -0.12 0.00 -0.39 0.00 0.00 57.03 56.85 2fmr h ASP 55 Cb 0.51 -0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.47 2fmr h ASP 55 CO -0.15 0.41 -0.45 0.00 -1.61 0.00 0.00 179.24 177.44 2fmr h ALA 56 N 1.61 0.12 -0.18 -0.78 0.00 -1.23 -1.76 119.26 117.05 2fmr h ALA 56 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2fmr h ALA 56 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2fmr h ALA 56 CO 0.03 0.28 -0.14 0.28 0.00 0.00 0.00 179.25 179.70 2fmr h VAL 57 N -0.10 1.20 0.10 0.00 2.07 -1.11 -2.20 116.25 116.21 2fmr h VAL 57 Ca -0.04 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2fmr h VAL 57 Cb 1.13 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2fmr h VAL 57 CO 0.09 0.27 -0.05 0.11 0.02 0.00 0.00 177.57 178.02 2fmr h LYS 58 N 0.27 -0.12 -0.79 1.57 1.79 -1.18 -2.66 116.57 115.45 2fmr h LYS 58 Ca 0.05 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.71 2fmr h LYS 58 Cb 0.42 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 2fmr h LYS 58 CO 0.03 0.39 0.53 0.87 -1.08 0.00 0.00 179.45 180.19 2fmr h LYS 59 N -0.76 0.29 0.48 3.15 1.57 -1.22 -0.00 116.57 120.08 2fmr h LYS 59 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2fmr h LYS 59 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2fmr h LYS 59 CO 0.02 0.19 -0.23 0.00 -0.57 0.00 0.00 179.45 178.86 2fmr h ALA 60 N 1.64 -0.65 -0.37 3.86 0.00 -1.38 -2.96 119.26 119.40 2fmr h ALA 60 Ca 0.39 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2fmr h ALA 60 Cb 1.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2fmr h ALA 60 CO -0.11 -0.68 0.31 -0.09 0.00 0.00 0.00 179.25 178.68 2fmr h ARG 61 N -1.01 0.00 -0.37 0.00 2.43 -0.99 -0.62 114.38 113.82 2fmr h ARG 61 Ca -0.07 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2fmr h ARG 61 Cb 0.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2fmr h ARG 61 CO 0.11 0.00 0.21 1.03 -1.51 0.00 0.00 179.97 179.80 2fmr h SER 62 N 0.00 0.32 1.28 -3.80 0.87 -0.86 -1.75 113.55 109.61 2fmr h SER 62 Ca 0.18 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 2fmr h SER 62 Cb 0.79 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2fmr h SER 62 CO -0.00 0.23 -0.33 -0.26 -0.53 0.00 0.00 176.83 175.94 2fmr h PHE 63 N 0.42 0.00 -2.32 2.24 0.04 -1.07 -3.31 116.94 112.93 2fmr h PHE 63 Ca 0.15 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.19 2fmr h PHE 63 Cb 0.03 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 37.86 2fmr h PHE 63 CO -0.08 0.33 0.43 1.28 -0.60 0.00 0.00 178.31 179.67 2fmr n LEU 64 N -3.30 6.23 0.00 1.54 4.32 -0.68 -4.71 117.00 120.40 2fmr n LEU 64 Ca 0.01 -5.47 0.00 0.00 -0.02 0.00 0.00 56.01 50.54 2fmr n LEU 64 Cb 0.58 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 2fmr n LEU 64 CO 0.37 2.11 0.16 -1.84 -1.22 0.00 0.00 177.39 176.97