#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 2.75 -0.89 0.00 3.41 -1.26 -4.66 113.62 112.96 2fmr n SER 2 Ca 0.00 -3.16 0.12 0.00 -0.26 0.00 0.00 58.87 55.57 2fmr n SER 2 Cb 0.00 -0.72 0.08 0.00 -0.26 0.00 0.00 64.21 63.31 2fmr n SER 2 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2fmr n ARG 3 N 1.87 2.17 -3.84 4.33 1.74 -1.25 -4.69 116.66 116.99 2fmr n ARG 3 Ca 0.22 -1.80 -0.29 0.00 -0.77 0.00 0.00 57.85 55.21 2fmr n ARG 3 Cb 0.37 -1.46 -0.13 0.00 -1.02 0.00 0.00 32.46 30.22 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2fmr s PHE 4 N -2.07 2.76 0.38 -1.55 0.08 -1.07 -5.06 117.98 111.46 2fmr s PHE 4 Ca 0.27 -2.92 0.08 0.00 0.12 0.00 0.00 56.93 54.47 2fmr s PHE 4 Cb 0.20 -2.41 -0.07 0.00 -0.57 0.00 0.00 43.02 40.16 2fmr s PHE 4 CO 0.34 -0.72 -0.02 -3.38 -0.10 0.00 0.00 175.22 171.33 2fmr s HIS 5 N -0.27 2.44 -0.10 0.36 -3.43 -1.26 -1.65 115.29 111.39 2fmr s HIS 5 Ca 0.19 -0.63 -0.11 0.00 -0.80 0.00 0.00 55.06 53.71 2fmr s HIS 5 Cb -0.21 -1.62 0.03 0.00 -1.43 0.00 0.00 32.58 29.36 2fmr s HIS 5 CO -0.04 0.47 0.30 -2.00 -2.00 0.00 0.00 174.74 171.47 2fmr s GLU 6 N -3.69 0.41 0.00 -0.38 2.12 -0.78 -4.98 118.70 111.40 2fmr s GLU 6 Ca 0.34 0.31 0.08 0.00 0.36 0.00 0.00 54.97 56.07 2fmr s GLU 6 Cb 0.07 0.19 -0.02 0.00 0.26 0.00 0.00 34.13 34.63 2fmr s GLU 6 CO 0.17 -0.06 -0.25 1.14 -0.54 0.00 0.00 175.26 175.72 2fmr s GLN 7 N -0.10 2.02 -0.28 4.30 1.03 -1.26 -1.40 119.66 123.98 2fmr s GLN 7 Ca -0.02 -0.98 -0.20 0.00 0.04 0.00 0.00 55.36 54.19 2fmr s GLN 7 Cb -0.03 -2.04 0.08 0.00 0.03 0.00 0.00 33.01 31.05 2fmr s GLN 7 CO 0.01 0.55 0.71 -0.59 -2.54 0.00 0.00 175.29 173.43 2fmr s PHE 8 N -0.70 -0.93 0.35 9.60 -0.71 -0.69 -4.98 117.98 119.93 2fmr s PHE 8 Ca 0.11 2.02 -0.26 0.00 -1.04 0.00 0.00 56.93 57.76 2fmr s PHE 8 Cb -0.10 0.47 -0.09 0.00 -1.21 0.00 0.00 43.02 42.09 2fmr s PHE 8 CO 0.00 -0.46 1.10 0.96 -1.34 0.00 0.00 175.22 175.48 2fmr s ILE 9 N 1.08 3.49 -0.15 -4.49 -4.36 -1.26 -2.09 121.20 113.41 2fmr s ILE 9 Ca -0.06 1.30 0.02 0.00 -0.26 0.00 0.00 60.65 61.65 2fmr s ILE 9 Cb -0.05 -3.75 0.02 0.00 1.25 0.00 0.00 42.46 39.93 2fmr s ILE 9 CO -0.11 0.16 -0.20 0.68 0.24 0.00 0.00 174.94 175.71 2fmr s VAL 10 N -1.41 1.97 0.71 8.37 -7.23 -1.26 -4.95 120.40 116.60 2fmr s VAL 10 Ca 0.53 -0.90 -0.16 0.00 -1.81 0.00 0.00 61.98 59.63 2fmr s VAL 10 Cb -0.28 -1.76 0.02 0.00 0.56 0.00 0.00 36.38 34.92 2fmr s VAL 10 CO 0.35 0.53 1.20 0.54 -0.31 0.00 0.00 175.10 177.42 2fmr n ARG 11 N 4.37 0.69 -0.22 4.82 1.74 -1.26 -4.73 116.66 122.07 2fmr n ARG 11 Ca -0.20 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 2fmr n ARG 11 Cb 0.51 -2.44 0.03 0.00 -1.02 0.00 0.00 32.46 29.54 2fmr n ARG 11 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2fmr h GLU 12 N -0.09 0.87 -0.66 5.56 5.08 -1.99 0.21 114.58 123.56 2fmr h GLU 12 Ca -0.49 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 2fmr h GLU 12 Cb 1.33 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2fmr h GLU 12 CO 0.50 0.69 0.40 0.22 -1.00 0.00 0.00 179.01 179.81 2fmr h ASP 13 N 0.84 0.63 -1.40 1.42 3.58 -2.03 -2.73 116.42 116.72 2fmr h ASP 13 Ca 0.21 0.01 -0.64 0.00 0.42 0.00 0.00 57.03 57.04 2fmr h ASP 13 Cb 0.10 -0.12 -0.37 0.00 1.72 0.00 0.00 39.33 40.66 2fmr h ASP 13 CO -0.03 0.42 -0.10 0.00 -2.88 0.00 0.00 179.24 176.65 2fmr n LEU 14 N -4.73 5.84 -0.00 2.28 -0.00 -1.01 -4.69 117.00 114.69 2fmr n LEU 14 Ca 0.07 -4.90 -0.21 0.00 -0.00 0.00 0.00 56.01 50.97 2fmr n LEU 14 Cb 0.12 -0.65 -0.14 0.00 -0.00 0.00 0.00 43.42 42.75 2fmr n LEU 14 CO 0.31 1.99 -0.42 -0.03 -0.00 0.00 0.00 177.39 179.25 2fmr h MET 15 N 2.52 0.22 0.00 1.47 4.05 -0.27 -3.39 114.93 119.52 2fmr h MET 15 Ca 0.42 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2fmr h MET 15 Cb 0.82 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2fmr h MET 15 CO 1.07 1.18 0.00 0.41 0.23 0.00 0.00 176.91 179.80 2fmr n GLY 16 N 1.72 -0.45 3.13 1.39 0.00 -1.26 -5.02 105.19 104.70 2fmr n GLY 16 Ca -0.25 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 5.47 -0.43 0.99 2.96 -1.26 -4.94 118.68 121.47 2fmr s LEU 17 Ca 0.00 -2.98 0.07 0.00 -0.22 0.00 0.00 54.13 51.00 2fmr s LEU 17 Cb 0.00 -1.91 0.22 0.00 0.50 0.00 0.00 46.19 45.01 2fmr s LEU 17 CO 0.00 -0.36 0.49 0.00 -1.32 0.00 0.00 176.35 175.15 2fmr n ALA 18 N 3.35 2.75 -1.56 5.97 0.00 -1.26 -5.08 120.51 124.69 2fmr n ALA 18 Ca 0.11 -3.49 -0.41 0.00 0.00 0.00 0.00 53.44 49.64 2fmr n ALA 18 Cb 0.39 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 1.80 0.14 0.00 0.00 2.08 -1.26 -3.37 119.36 118.74 2fmr n ILE 19 Ca 0.24 -0.57 0.00 0.00 0.56 0.00 0.00 62.75 62.99 2fmr n ILE 19 Cb 0.50 -2.50 0.00 0.00 -0.75 0.00 0.00 39.64 36.88 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 5.98 0.45 7.00 7.39 0.00 -1.26 -5.15 105.19 119.60 2fmr n GLY 20 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 -3.15 2.61 -2.24 -1.22 -4.93 114.28 105.35 2fmr n THR 21 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2fmr n THR 21 Cb 0.00 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 2fmr n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2fmr n HIS 22 N -0.90 -1.78 0.00 4.78 8.25 -1.26 -4.81 115.22 119.49 2fmr n HIS 22 Ca 0.00 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 2fmr n HIS 22 Cb 0.00 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 26.73 2fmr n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2fmr n GLY 23 N -1.18 1.55 3.54 -1.41 0.00 -1.26 -5.16 105.19 101.27 2fmr n GLY 23 Ca -0.20 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 2.85 0.44 4.61 0.00 -1.26 -5.02 121.76 123.38 2fmr s ALA 24 Ca 0.00 -1.35 0.15 0.00 0.00 0.00 0.00 51.96 50.76 2fmr s ALA 24 Cb 0.00 -0.75 1.03 0.00 0.00 0.00 0.00 23.12 23.40 2fmr s ALA 24 CO 0.00 0.57 1.99 -0.91 0.00 0.00 0.00 175.76 177.41 2fmr h ASN 25 N 3.45 0.00 0.10 0.00 2.35 -1.94 0.96 115.58 120.51 2fmr h ASN 25 Ca -0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 2fmr h ASN 25 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2fmr h ASN 25 CO 0.50 0.19 -0.05 0.40 -1.65 0.00 0.00 177.43 176.82 2fmr h ILE 26 N 0.00 1.07 0.07 2.81 5.03 -1.91 -2.62 117.51 121.96 2fmr h ILE 26 Ca -0.00 -1.29 -0.00 0.00 -0.12 0.00 0.00 64.86 63.44 2fmr h ILE 26 Cb 0.34 1.81 0.00 0.00 -3.03 0.00 0.00 36.82 35.94 2fmr h ILE 26 CO 0.02 0.28 -0.03 1.56 -0.68 0.00 0.00 178.15 179.30 2fmr h GLN 27 N -0.80 -0.09 -0.40 2.37 1.08 -1.94 -2.58 115.11 112.74 2fmr h GLN 27 Ca -0.01 0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2fmr h GLN 27 Cb 0.57 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 2fmr h GLN 27 CO 0.02 0.07 -0.19 1.96 -0.95 0.00 0.00 178.83 179.74 2fmr h GLN 28 N -0.23 -0.12 -0.41 1.46 1.08 -0.93 0.36 115.11 116.32 2fmr h GLN 28 Ca -0.01 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2fmr h GLN 28 Cb 0.20 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2fmr h GLN 28 CO 0.02 -0.08 0.29 0.00 -0.95 0.00 0.00 178.83 178.11 2fmr h ALA 29 N 1.15 2.31 0.09 3.87 0.00 -1.37 0.19 119.26 125.51 2fmr h ALA 29 Ca 0.20 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 2fmr h ALA 29 Cb 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2fmr h ALA 29 CO -0.48 -0.43 -1.15 -0.09 0.00 0.00 0.00 179.25 177.10 2fmr h ARG 30 N 0.05 0.21 0.00 0.00 2.43 -0.07 -3.21 114.38 113.79 2fmr h ARG 30 Ca 0.19 -0.34 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2fmr h ARG 30 Cb 0.70 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2fmr h ARG 30 CO -0.01 1.15 -0.17 0.87 -1.51 0.00 0.00 179.97 180.29 2fmr h LYS 31 N 0.06 0.00 -6.56 0.20 1.79 0.15 -3.44 116.57 108.78 2fmr h LYS 31 Ca -0.10 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.78 2fmr h LYS 31 Cb 1.88 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 32.64 2fmr h LYS 31 CO 0.18 0.17 0.24 0.28 -1.08 0.00 0.00 179.45 179.25 2fmr n VAL 32 N -3.86 2.01 -2.33 0.50 0.31 -0.83 -4.87 118.33 109.26 2fmr n VAL 32 Ca -0.02 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 2fmr n VAL 32 Cb 0.27 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 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 -1.66 3.41 0.00 5.55 0.04 -1.26 -3.51 135.00 137.57 2fmr s PRO 33 Ca 0.58 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2fmr s PRO 33 Cb -0.66 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 29.79 2fmr s PRO 33 CO 0.61 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2fmr n GLY 34 N 5.20 3.61 3.68 0.56 0.00 -1.26 -4.75 105.19 112.23 2fmr n GLY 34 Ca 0.16 -0.54 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 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 0.45 0.03 1.61 0.31 -1.23 -3.20 118.33 116.30 2fmr n VAL 35 Ca 0.00 -0.08 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 2fmr n VAL 35 Cb 0.00 -1.85 -0.10 0.00 -0.91 0.00 0.00 33.84 30.98 2fmr n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2fmr n THR 36 N 4.76 0.44 -3.61 2.52 5.66 0.48 -4.94 114.28 119.58 2fmr n THR 36 Ca 0.21 -0.56 -0.02 0.00 -3.05 0.00 0.00 64.05 60.62 2fmr n THR 36 Cb 0.31 -0.23 -0.02 0.00 -1.55 0.00 0.00 70.33 68.84 2fmr n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fmr s ALA 37 N -3.33 -2.16 0.00 1.79 0.00 -0.63 -5.02 121.76 112.41 2fmr s ALA 37 Ca -0.05 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.41 2fmr s ALA 37 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2fmr s ALA 37 CO 0.85 -0.69 -0.05 -1.50 0.00 0.00 0.00 175.76 174.37 2fmr s ILE 38 N -2.31 0.40 0.02 0.00 2.07 -1.26 -1.25 121.20 118.87 2fmr s ILE 38 Ca 0.11 -0.32 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2fmr s ILE 38 Cb 0.00 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2fmr s ILE 38 CO -0.04 0.04 -0.09 -0.62 -1.91 0.00 0.00 174.94 172.32 2fmr s ASP 39 N -0.31 1.02 -0.03 4.50 -1.08 -0.34 -5.00 116.67 115.43 2fmr s ASP 39 Ca 0.00 -0.32 0.06 0.00 -0.52 0.00 0.00 52.55 51.78 2fmr s ASP 39 Cb -0.03 -0.06 -0.01 0.00 -1.46 0.00 0.00 42.92 41.36 2fmr s ASP 39 CO -0.00 -0.00 -0.23 -0.22 0.52 0.00 0.00 175.17 175.24 2fmr s LEU 40 N -0.77 2.03 -0.14 -1.34 0.20 -1.26 -1.16 118.68 116.24 2fmr s LEU 40 Ca -0.01 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.40 2fmr s LEU 40 Cb -0.06 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.50 2fmr s LEU 40 CO 0.00 0.26 -0.22 -1.81 -0.29 0.00 0.00 176.35 174.29 2fmr s ASP 41 N -0.37 3.06 -0.22 3.68 1.01 0.10 -4.97 116.67 118.97 2fmr s ASP 41 Ca 0.04 -0.59 -0.03 0.00 0.71 0.00 0.00 52.55 52.68 2fmr s ASP 41 Cb -0.11 -1.42 -0.12 0.00 1.01 0.00 0.00 42.92 42.28 2fmr s ASP 41 CO 0.01 0.08 -0.23 -0.62 0.21 0.00 0.00 175.17 174.61 2fmr n GLU 42 N 4.07 0.52 -0.15 8.23 1.02 -1.26 -0.94 120.64 132.12 2fmr n GLU 42 Ca -0.20 0.16 -0.03 0.00 -0.02 0.00 0.00 57.16 57.07 2fmr n GLU 42 Cb 0.52 -1.39 0.04 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.31 -0.34 1.12 1.62 5.19 -1.95 -0.66 116.42 121.09 2fmr h ASP 43 Ca -0.52 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2fmr h ASP 43 Cb 1.65 0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.42 2fmr h ASP 43 CO -0.18 -0.12 -0.70 0.74 -3.12 0.00 0.00 179.24 175.86 2fmr h THR 44 N 0.04 0.00 -3.71 0.35 2.02 -2.00 -3.48 112.91 106.14 2fmr h THR 44 Ca 0.23 -0.82 -0.16 0.00 0.77 0.00 0.00 66.41 66.44 2fmr h THR 44 Cb 0.36 1.44 0.08 0.00 -1.74 0.00 0.00 68.15 68.28 2fmr h THR 44 CO -0.45 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.08 2fmr s THR 46 N -3.17 0.41 -0.08 0.00 2.01 -0.12 -4.43 115.64 110.26 2fmr s THR 46 Ca 0.01 -1.85 0.05 0.00 0.31 0.00 0.00 61.69 60.21 2fmr s THR 46 Cb -0.00 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 2fmr s THR 46 CO 0.34 -0.95 -0.24 0.12 -0.69 0.00 0.00 174.62 173.21 2fmr s PHE 47 N -3.78 2.44 -0.07 4.92 2.19 -0.89 0.01 117.98 122.80 2fmr s PHE 47 Ca 0.09 -0.85 0.06 0.00 0.33 0.00 0.00 56.93 56.55 2fmr s PHE 47 Cb 0.07 -1.62 -0.01 0.00 -1.31 0.00 0.00 43.02 40.15 2fmr s PHE 47 CO -0.08 -0.30 -0.25 -1.01 1.83 0.00 0.00 175.22 175.41 2fmr s HIS 48 N 0.08 2.46 -0.08 10.12 3.76 -0.31 -1.70 115.29 129.62 2fmr s HIS 48 Ca -0.10 -0.79 0.05 0.00 -0.15 0.00 0.00 55.06 54.07 2fmr s HIS 48 Cb -0.16 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 2fmr s HIS 48 CO 0.06 -0.26 -0.24 0.42 -0.85 0.00 0.00 174.74 173.87 2fmr s ILE 49 N -0.06 2.09 -0.21 0.60 -1.09 -0.49 -1.20 121.20 120.84 2fmr s ILE 49 Ca -0.07 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 2fmr s ILE 49 Cb -0.15 -1.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 2fmr s ILE 49 CO 0.05 0.57 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.87 2fmr s TYR 50 N 0.04 2.91 0.04 3.97 2.02 -0.38 -1.87 117.35 124.09 2fmr s TYR 50 Ca -0.10 -1.61 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 2fmr s TYR 50 Cb -0.15 -1.97 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 2fmr s TYR 50 CO 0.06 -0.77 0.04 0.41 -1.57 0.00 0.00 175.55 173.72 2fmr n GLY 51 N 4.63 3.60 1.39 0.71 0.00 -0.66 -0.39 105.19 114.48 2fmr n GLY 51 Ca -0.19 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.27 2fmr n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2fmr n GLU 52 N -0.07 0.91 -3.54 1.61 0.28 -1.19 -2.61 120.64 116.04 2fmr n GLU 52 Ca 0.01 -2.71 -0.00 0.00 -0.16 0.00 0.00 57.16 54.30 2fmr n GLU 52 Cb 0.07 -0.82 -0.04 0.00 1.43 0.00 0.00 31.44 32.07 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 -2.68 -0.87 0.26 -1.84 2.15 -1.26 -4.95 116.67 107.49 2fmr s ASP 53 Ca 0.36 1.20 -0.01 0.00 0.43 0.00 0.00 52.55 54.53 2fmr s ASP 53 Cb 0.38 1.96 0.54 0.00 -0.30 0.00 0.00 42.92 45.50 2fmr s ASP 53 CO -0.11 -0.17 1.76 -0.61 -0.17 0.00 0.00 175.17 175.87 2fmr h GLN 54 N 7.70 0.60 0.66 4.34 4.15 -1.95 0.17 115.11 130.78 2fmr h GLN 54 Ca -0.17 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 2fmr h GLN 54 Cb 1.11 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.67 2fmr h GLN 54 CO 0.09 0.40 -0.40 -0.44 -1.93 0.00 0.00 178.83 176.56 2fmr h ASP 55 N 0.62 -1.00 -0.73 -0.69 5.19 -1.97 0.68 116.42 118.51 2fmr h ASP 55 Ca 0.47 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 57.04 2fmr h ASP 55 Cb 0.66 0.29 -0.08 0.00 0.18 0.00 0.00 39.33 40.38 2fmr h ASP 55 CO -0.37 -0.61 0.35 0.00 -3.12 0.00 0.00 179.24 175.48 2fmr h ALA 56 N -1.34 1.03 -0.51 3.45 0.00 -1.74 0.44 119.26 120.58 2fmr h ALA 56 Ca -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2fmr h ALA 56 Cb 0.79 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2fmr h ALA 56 CO 0.10 -0.10 0.15 0.28 0.00 0.00 0.00 179.25 179.68 2fmr h VAL 57 N 0.56 1.23 0.00 0.00 2.07 -0.49 -0.88 116.25 118.74 2fmr h VAL 57 Ca 0.38 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2fmr h VAL 57 Cb 0.46 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2fmr h VAL 57 CO -0.31 0.29 -0.17 0.11 0.02 0.00 0.00 177.57 177.50 2fmr h LYS 58 N 0.69 0.00 0.00 1.57 1.79 0.16 -1.99 116.57 118.79 2fmr h LYS 58 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2fmr h LYS 58 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2fmr h LYS 58 CO -0.00 0.17 -0.00 0.87 -1.08 0.00 0.00 179.45 179.41 2fmr h LYS 59 N 0.00 0.00 -0.24 3.15 6.56 -0.43 -2.51 116.57 123.10 2fmr h LYS 59 Ca -0.00 -0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.64 2fmr h LYS 59 Cb 0.36 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 2fmr h LYS 59 CO 0.02 0.86 0.17 0.00 -2.06 0.00 0.00 179.45 178.44 2fmr h ALA 60 N 0.14 2.12 0.01 3.86 0.00 -1.02 -0.92 119.26 123.45 2fmr h ALA 60 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2fmr h ALA 60 Cb 0.86 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2fmr h ALA 60 CO 0.00 -0.18 -1.04 -0.09 0.00 0.00 0.00 179.25 177.95 2fmr h ARG 61 N 0.08 0.61 0.00 0.00 1.12 -1.41 -1.13 114.38 113.65 2fmr h ARG 61 Ca 0.11 -0.67 -0.07 0.00 -1.11 0.00 0.00 59.98 58.24 2fmr h ARG 61 Cb 0.33 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 2fmr h ARG 61 CO -0.01 1.27 -0.32 1.03 -3.11 0.00 0.00 179.97 178.83 2fmr h SER 62 N 0.33 0.00 0.12 -3.80 0.87 -0.78 -2.10 113.55 108.19 2fmr h SER 62 Ca -0.12 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.21 2fmr h SER 62 Cb 1.69 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.65 2fmr h SER 62 CO 0.20 0.32 -1.10 -0.26 -0.53 0.00 0.00 176.83 175.45 2fmr h PHE 63 N 0.00 0.44 -0.92 2.24 0.04 -1.20 -3.33 116.94 114.22 2fmr h PHE 63 Ca -0.00 -0.32 0.07 0.00 2.80 0.00 0.00 57.97 60.52 2fmr h PHE 63 Cb 0.63 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.70 2fmr h PHE 63 CO 0.00 1.43 0.59 -0.07 -0.60 0.00 0.00 178.31 179.66 2fmr h LEU 64 N -0.40 0.90 -0.32 1.54 3.38 -1.12 -3.46 115.31 115.82 2fmr h LEU 64 Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2fmr h LEU 64 Cb 1.66 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2fmr h LEU 64 CO 0.08 0.56 0.00 -1.84 0.09 0.00 0.00 178.44 177.33