#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 -5.18 0.00 0.00 7.64 -1.26 -3.59 113.62 111.23 2fmr n SER 2 Ca 0.00 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2fmr n SER 2 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 2fmr n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2fmr n ARG 3 N -4.06 0.00 -5.28 1.43 1.74 -1.26 -3.25 116.66 105.99 2fmr n ARG 3 Ca -0.06 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.71 2fmr n ARG 3 Cb 0.58 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.86 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 0.00 2.40 0.15 -1.55 0.08 -0.88 -5.02 117.98 113.16 2fmr s PHE 4 Ca 0.00 -0.60 -0.20 0.00 0.12 0.00 0.00 56.93 56.25 2fmr s PHE 4 Cb 0.00 -1.56 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 2fmr s PHE 4 CO 0.00 -0.14 0.53 -3.38 -0.10 0.00 0.00 175.22 172.13 2fmr s HIS 5 N -0.36 -0.41 -0.04 0.36 -3.43 -1.26 -0.91 115.29 109.24 2fmr s HIS 5 Ca 0.02 0.15 -0.01 0.00 -0.80 0.00 0.00 55.06 54.42 2fmr s HIS 5 Cb -0.12 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.51 2fmr s HIS 5 CO 0.02 -0.80 0.08 -2.00 -2.00 0.00 0.00 174.74 170.03 2fmr s GLU 6 N -3.77 -0.01 -0.09 -0.38 2.56 -1.16 -4.99 118.70 110.86 2fmr s GLU 6 Ca 0.02 0.30 0.04 0.00 0.00 0.00 0.00 54.97 55.34 2fmr s GLU 6 Cb -0.00 -0.28 -0.00 0.00 2.00 0.00 0.00 34.13 35.85 2fmr s GLU 6 CO -0.12 -0.21 -0.24 1.14 -0.56 0.00 0.00 175.26 175.27 2fmr s GLN 7 N 1.39 2.91 0.12 4.30 -2.07 -1.26 -2.73 119.66 122.33 2fmr s GLN 7 Ca -0.06 -0.88 -0.09 0.00 -1.82 0.00 0.00 55.36 52.51 2fmr s GLN 7 Cb -0.12 -2.25 -0.00 0.00 -1.09 0.00 0.00 33.01 29.54 2fmr s GLN 7 CO -0.04 0.23 0.23 -0.59 -1.32 0.00 0.00 175.29 173.80 2fmr s PHE 8 N 0.23 0.25 0.27 9.60 -0.12 -1.06 -4.96 117.98 122.18 2fmr s PHE 8 Ca -0.15 -0.65 -0.09 0.00 -0.05 0.00 0.00 56.93 55.99 2fmr s PHE 8 Cb -0.17 -0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.10 2fmr s PHE 8 CO 0.08 -0.62 0.58 0.96 -0.05 0.00 0.00 175.22 176.17 2fmr s ILE 9 N -3.90 4.93 0.02 -4.49 -4.36 -1.26 -0.32 121.20 111.81 2fmr s ILE 9 Ca 0.10 0.41 0.07 0.00 -0.26 0.00 0.00 60.65 60.97 2fmr s ILE 9 Cb 0.04 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 2fmr s ILE 9 CO -0.06 -0.19 -0.22 -0.69 0.24 0.00 0.00 174.94 174.02 2fmr s VAL 10 N -1.95 1.74 0.23 8.37 1.01 -1.26 -4.92 120.40 123.62 2fmr s VAL 10 Ca 0.47 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 2fmr s VAL 10 Cb -0.11 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 2fmr s VAL 10 CO 0.24 0.35 1.31 -0.13 0.00 0.00 0.00 175.10 176.88 2fmr s ARG 11 N -0.87 4.39 0.19 2.72 0.52 -1.26 -4.90 118.95 119.73 2fmr s ARG 11 Ca 0.08 2.09 -0.12 0.00 -0.52 0.00 0.00 55.73 57.27 2fmr s ARG 11 Cb -0.09 -3.16 0.22 0.00 0.52 0.00 0.00 34.95 32.44 2fmr s ARG 11 CO 0.01 -0.23 1.73 1.49 0.02 0.00 0.00 175.30 178.31 2fmr h GLU 12 N 4.91 0.29 0.11 3.54 4.57 -1.99 0.27 114.58 126.29 2fmr h GLU 12 Ca -0.46 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.72 2fmr h GLU 12 Cb 1.22 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 2fmr h GLU 12 CO 0.75 0.19 -0.16 0.22 -1.18 0.00 0.00 179.01 178.83 2fmr h ASP 13 N 0.30 -0.43 -1.83 1.04 3.58 -2.04 -2.74 116.42 114.30 2fmr h ASP 13 Ca 0.27 0.05 -0.72 0.00 0.42 0.00 0.00 57.03 57.04 2fmr h ASP 13 Cb 0.34 0.16 -0.25 0.00 1.72 0.00 0.00 39.33 41.30 2fmr h ASP 13 CO -0.31 -0.23 0.95 0.18 -2.88 0.00 0.00 179.24 176.94 2fmr n LEU 14 N -5.28 7.35 -0.02 2.28 4.32 -0.84 -4.60 117.00 120.21 2fmr n LEU 14 Ca -0.07 -4.70 -0.02 0.00 -0.02 0.00 0.00 56.01 51.21 2fmr n LEU 14 Cb 0.20 -1.10 -0.01 0.00 -1.62 0.00 0.00 43.42 40.90 2fmr n LEU 14 CO 0.29 1.75 -0.12 0.80 -1.22 0.00 0.00 177.39 178.89 2fmr n MET 15 N -0.30 0.12 0.00 3.23 1.56 0.02 -4.40 117.12 117.35 2fmr n MET 15 Ca 0.53 0.20 0.00 0.00 -0.27 0.00 0.00 57.70 58.16 2fmr n MET 15 Cb 0.29 -0.87 0.00 0.00 2.15 0.00 0.00 33.22 34.79 2fmr n MET 15 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2fmr n GLY 16 N 1.62 -1.10 3.22 -5.12 0.00 -1.26 -5.05 105.19 97.50 2fmr n GLY 16 Ca -0.02 0.35 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 2fmr n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fmr s LEU 17 N 0.00 2.32 -0.97 0.99 2.01 -1.26 -4.86 118.68 116.90 2fmr s LEU 17 Ca 0.00 -0.69 -0.05 0.00 0.01 0.00 0.00 54.13 53.40 2fmr s LEU 17 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 46.19 45.54 2fmr s LEU 17 CO 0.00 -0.06 0.84 0.00 1.01 0.00 0.00 176.35 178.14 2fmr n ALA 18 N 1.03 -2.50 -1.69 4.21 0.00 -1.26 -4.83 120.51 115.47 2fmr n ALA 18 Ca -0.19 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 2fmr n ALA 18 Cb 0.55 -4.40 -0.02 0.00 0.00 0.00 0.00 19.45 15.58 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 -2.90 2.91 -2.12 0.00 2.08 -1.26 -4.38 119.36 113.69 2fmr n ILE 19 Ca -0.06 -2.65 0.05 0.00 0.56 0.00 0.00 62.75 60.65 2fmr n ILE 19 Cb 0.59 -2.46 0.09 0.00 -0.75 0.00 0.00 39.64 37.11 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 4.53 2.61 1.43 7.39 0.00 -1.26 -4.89 105.19 114.99 2fmr n GLY 20 Ca 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2fmr n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fmr n THR 21 N -0.16 0.13 -2.66 2.61 -1.04 -1.26 -5.07 114.28 106.82 2fmr n THR 21 Ca 0.11 0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 62.12 2fmr n THR 21 Cb 0.95 -0.68 0.10 0.00 -1.82 0.00 0.00 70.33 68.88 2fmr n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fmr n HIS 22 N -2.69 -0.51 -3.27 -1.42 -0.00 -1.26 -5.15 115.22 100.92 2fmr n HIS 22 Ca 0.00 -0.74 -0.38 0.00 -0.00 0.00 0.00 57.72 56.60 2fmr n HIS 22 Cb 0.00 1.14 -0.06 0.00 -0.00 0.00 0.00 29.99 31.07 2fmr n HIS 22 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2fmr s GLY 23 N -0.24 2.54 0.00 -1.39 0.00 -1.26 -4.92 107.32 102.04 2fmr s GLY 23 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2fmr s GLY 23 CO -0.14 0.68 0.75 0.00 0.00 0.00 0.00 173.10 174.39 2fmr n ALA 24 N 2.86 2.64 -0.08 3.20 0.00 -1.26 -5.00 120.51 122.87 2fmr n ALA 24 Ca -0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 2fmr n ALA 24 Cb 0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.34 0.00 -1.07 -1.91 -3.35 115.58 108.91 2fmr h ASN 25 Ca -0.38 -0.52 0.04 0.00 0.07 0.00 0.00 56.30 55.52 2fmr h ASN 25 Cb 1.17 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.35 2fmr h ASN 25 CO -0.19 1.15 -0.47 0.40 0.07 0.00 0.00 177.43 178.39 2fmr h ILE 26 N -1.00 0.00 -0.78 6.14 2.04 -1.89 -1.81 117.51 120.20 2fmr h ILE 26 Ca -0.17 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.85 2fmr h ILE 26 Cb 0.98 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 2fmr h ILE 26 CO -0.10 0.00 0.31 0.06 0.00 0.00 0.00 178.15 178.42 2fmr h GLN 27 N -0.34 0.42 -0.57 2.37 3.07 -1.98 -1.70 115.11 116.39 2fmr h GLN 27 Ca 0.06 -0.03 0.11 0.00 0.09 0.00 0.00 58.65 58.89 2fmr h GLN 27 Cb 0.51 -0.09 -0.11 0.00 0.08 0.00 0.00 27.48 27.86 2fmr h GLN 27 CO -0.50 0.28 -0.16 1.96 0.09 0.00 0.00 178.83 180.49 2fmr h GLN 28 N 0.43 -0.02 -0.96 0.06 1.08 -1.46 0.13 115.11 114.36 2fmr h GLN 28 Ca 0.44 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.69 2fmr h GLN 28 Cb 0.70 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.08 2fmr h GLN 28 CO -0.43 -0.02 0.63 0.00 -0.95 0.00 0.00 178.83 178.06 2fmr h ALA 29 N 1.50 1.40 -0.00 3.87 0.00 -1.15 -1.08 119.26 123.80 2fmr h ALA 29 Ca 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2fmr h ALA 29 Cb 0.44 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2fmr h ALA 29 CO -0.60 0.49 -0.43 -0.09 0.00 0.00 0.00 179.25 178.63 2fmr h ARG 30 N 1.19 0.01 0.00 0.00 2.43 -0.68 -2.67 114.38 114.65 2fmr h ARG 30 Ca 0.39 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2fmr h ARG 30 Cb 0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2fmr h ARG 30 CO -0.13 0.44 -0.43 0.87 -1.51 0.00 0.00 179.97 179.21 2fmr h LYS 31 N 0.01 0.00 -6.53 0.20 1.79 0.39 -3.44 116.57 108.98 2fmr h LYS 31 Ca -0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2fmr h LYS 31 Cb 0.76 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.46 2fmr h LYS 31 CO 0.06 0.43 0.93 0.28 -1.08 0.00 0.00 179.45 180.06 2fmr n VAL 32 N -3.75 0.10 -1.24 0.50 0.31 -0.96 -4.85 118.33 108.45 2fmr n VAL 32 Ca -0.01 -0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 63.94 2fmr n VAL 32 Cb 0.50 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 2fmr n VAL 32 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2fmr n PRO 33 N 4.15 2.96 -1.40 5.55 -0.04 -1.26 -3.57 135.00 141.38 2fmr n PRO 33 Ca 0.17 -2.07 -0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2fmr n PRO 33 Cb 0.32 -2.82 0.01 0.00 -0.04 0.00 0.00 33.50 30.96 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 3.81 -0.69 2.72 0.55 0.00 -1.26 -5.02 105.19 105.30 2fmr n GLY 34 Ca 0.63 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 2fmr n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fmr s VAL 35 N 0.01 1.20 0.58 1.61 1.01 -1.23 -4.30 120.40 119.27 2fmr s VAL 35 Ca 0.01 -2.13 0.27 0.00 0.00 0.00 0.00 61.98 60.13 2fmr s VAL 35 Cb 0.03 -1.86 0.35 0.00 0.00 0.00 0.00 36.38 34.90 2fmr s VAL 35 CO -0.01 -0.82 2.12 0.71 0.00 0.00 0.00 175.10 177.10 2fmr h THR 36 N 5.68 0.55 0.00 3.92 1.35 -0.98 -3.45 112.91 119.98 2fmr h THR 36 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2fmr h THR 36 Cb 0.96 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2fmr h THR 36 CO 0.47 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.74 2fmr n ALA 37 N -2.38 0.00 -3.67 6.62 0.00 -0.63 -5.02 120.51 115.43 2fmr n ALA 37 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 2fmr n ALA 37 Cb 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.00 0.71 0.11 0.00 2.07 -1.26 -1.13 121.20 119.70 2fmr s ILE 38 Ca 0.00 -0.17 0.06 0.00 -1.41 0.00 0.00 60.65 59.12 2fmr s ILE 38 Cb 0.00 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 2fmr s ILE 38 CO 0.00 0.28 -0.14 -0.62 -1.91 0.00 0.00 174.94 172.55 2fmr s ASP 39 N 1.22 1.90 0.23 4.50 2.15 -0.67 -5.02 116.67 120.98 2fmr s ASP 39 Ca -0.06 -0.77 0.10 0.00 0.43 0.00 0.00 52.55 52.25 2fmr s ASP 39 Cb -0.14 -0.06 -0.05 0.00 -0.30 0.00 0.00 42.92 42.37 2fmr s ASP 39 CO -0.02 -0.13 -0.17 -0.22 -0.17 0.00 0.00 175.17 174.46 2fmr s LEU 40 N -2.29 2.55 -0.12 -1.34 2.96 -1.26 -1.42 118.68 117.77 2fmr s LEU 40 Ca 0.06 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.00 2fmr s LEU 40 Cb -0.06 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.76 2fmr s LEU 40 CO 0.03 -0.07 -0.21 -1.81 -1.32 0.00 0.00 176.35 172.97 2fmr s ASP 41 N -3.28 3.35 -0.11 3.68 1.11 -0.95 -4.93 116.67 115.54 2fmr s ASP 41 Ca 0.24 -0.50 -0.08 0.00 0.18 0.00 0.00 52.55 52.39 2fmr s ASP 41 Cb -0.03 -1.47 -0.03 0.00 1.07 0.00 0.00 42.92 42.46 2fmr s ASP 41 CO 0.10 0.15 -0.15 -0.62 1.18 0.00 0.00 175.17 175.83 2fmr n GLU 42 N 3.62 0.34 -0.34 8.23 1.02 -1.26 -3.72 120.64 128.53 2fmr n GLU 42 Ca -0.19 0.42 0.34 0.00 -0.02 0.00 0.00 57.16 57.71 2fmr n GLU 42 Cb 0.53 -1.42 0.70 0.00 -0.02 0.00 0.00 31.44 31.23 2fmr n GLU 42 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2fmr h ASP 43 N -0.74 0.10 -3.32 1.62 1.82 -2.00 -3.30 116.42 110.59 2fmr h ASP 43 Ca 0.00 0.02 -0.56 0.00 -0.39 0.00 0.00 57.03 56.10 2fmr h ASP 43 Cb 0.42 0.01 -0.40 0.00 0.68 0.00 0.00 39.33 40.04 2fmr h ASP 43 CO 0.00 0.01 -0.77 -0.89 -1.61 0.00 0.00 179.24 175.98 2fmr s THR 44 N -5.06 0.91 -0.87 2.25 2.01 -1.26 -5.06 115.64 108.56 2fmr s THR 44 Ca -0.06 -1.04 -0.19 0.00 0.31 0.00 0.00 61.69 60.71 2fmr s THR 44 Cb 0.24 -1.46 -0.23 0.00 0.01 0.00 0.00 72.50 71.06 2fmr s THR 44 CO 0.81 -0.35 2.34 0.00 -0.69 0.00 0.00 174.62 176.73 2fmr s THR 46 N 7.70 0.07 -0.10 0.00 2.01 -1.24 -4.09 115.64 119.98 2fmr s THR 46 Ca 1.15 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2fmr s THR 46 Cb -0.57 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.80 2fmr s THR 46 CO 0.35 -0.33 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.36 2fmr s PHE 47 N -3.53 2.59 -0.10 4.92 0.08 0.57 -2.25 117.98 120.26 2fmr s PHE 47 Ca 0.01 -0.98 0.03 0.00 0.12 0.00 0.00 56.93 56.12 2fmr s PHE 47 Cb 0.02 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.74 2fmr s PHE 47 CO -0.10 -0.38 -0.22 -1.01 -0.10 0.00 0.00 175.22 173.40 2fmr s HIS 48 N 0.33 2.59 -0.07 0.36 3.76 -0.51 -2.55 115.29 119.21 2fmr s HIS 48 Ca -0.17 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 53.81 2fmr s HIS 48 Cb -0.18 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 2fmr s HIS 48 CO 0.08 -0.38 -0.23 0.42 -0.85 0.00 0.00 174.74 173.78 2fmr s ILE 49 N 0.32 2.24 -0.30 0.60 -1.09 -1.10 -1.67 121.20 120.19 2fmr s ILE 49 Ca -0.17 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 2fmr s ILE 49 Cb -0.18 -1.83 0.06 0.00 -1.58 0.00 0.00 42.46 38.94 2fmr s ILE 49 CO 0.08 0.57 -0.01 -0.31 -1.23 0.00 0.00 174.94 174.04 2fmr s TYR 50 N -0.15 3.35 -0.04 3.97 1.51 -0.29 -2.98 117.35 122.72 2fmr s TYR 50 Ca -0.04 -2.17 -0.02 0.00 -1.01 0.00 0.00 57.07 53.83 2fmr s TYR 50 Cb -0.14 -2.25 0.03 0.00 -0.11 0.00 0.00 41.96 39.49 2fmr s TYR 50 CO 0.04 -0.86 0.10 0.20 -1.11 0.00 0.00 175.55 173.92 2fmr s GLY 51 N 1.23 -0.01 0.48 0.71 0.00 -0.09 -0.24 107.32 109.40 2fmr s GLY 51 Ca -0.03 0.45 0.15 0.00 0.00 0.00 0.00 44.72 45.29 2fmr s GLY 51 CO -0.03 0.67 2.09 1.05 0.00 0.00 0.00 173.10 176.87 2fmr h GLU 52 N 6.84 0.19 -6.30 2.90 4.11 -1.74 -2.33 114.58 118.24 2fmr h GLU 52 Ca -0.38 -0.01 -0.60 0.00 0.07 0.00 0.00 59.36 58.45 2fmr h GLU 52 Cb 1.16 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 2fmr h GLU 52 CO 0.45 0.12 -0.64 -0.51 0.07 0.00 0.00 179.01 178.50 2fmr s ASP 53 N -6.76 4.92 0.01 3.06 1.11 -1.26 -4.07 116.67 113.68 2fmr s ASP 53 Ca -0.06 -0.35 -0.09 0.00 0.18 0.00 0.00 52.55 52.23 2fmr s ASP 53 Cb 0.18 -1.10 -0.31 0.00 1.07 0.00 0.00 42.92 42.76 2fmr s ASP 53 CO 0.70 0.08 0.89 0.06 1.18 0.00 0.00 175.17 178.09 2fmr h GLN 54 N 2.63 0.38 -0.91 8.23 3.07 -1.93 -3.17 115.11 123.40 2fmr h GLN 54 Ca -0.47 -0.65 0.08 0.00 0.09 0.00 0.00 58.65 57.70 2fmr h GLN 54 Cb 1.20 0.24 -0.07 0.00 0.08 0.00 0.00 27.48 28.94 2fmr h GLN 54 CO 0.59 1.29 0.56 0.22 0.09 0.00 0.00 178.83 181.58 2fmr h ASP 55 N 0.10 0.86 -0.27 0.06 3.58 -1.97 0.31 116.42 119.09 2fmr h ASP 55 Ca -0.26 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 2fmr h ASP 55 Cb 2.08 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.98 2fmr h ASP 55 CO 0.21 0.51 -0.20 0.00 -2.88 0.00 0.00 179.24 176.88 2fmr h ALA 56 N 1.46 0.38 -0.23 -0.78 0.00 -1.84 -2.03 119.26 116.23 2fmr h ALA 56 Ca 0.42 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2fmr h ALA 56 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2fmr h ALA 56 CO -0.21 0.32 -0.14 0.28 0.00 0.00 0.00 179.25 179.50 2fmr h VAL 57 N 0.34 1.21 -0.25 0.00 2.07 -1.34 0.24 116.25 118.52 2fmr h VAL 57 Ca 0.05 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 2fmr h VAL 57 Cb 0.74 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2fmr h VAL 57 CO 0.05 0.30 -0.46 0.11 0.02 0.00 0.00 177.57 177.60 2fmr h LYS 58 N 0.36 0.66 0.00 1.57 1.57 -0.30 -1.35 116.57 119.07 2fmr h LYS 58 Ca 0.07 -0.37 -0.17 0.00 -1.87 0.00 0.00 60.65 58.31 2fmr h LYS 58 Cb 0.46 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2fmr h LYS 58 CO 0.03 0.98 -0.82 -0.22 -0.57 0.00 0.00 179.45 178.85 2fmr h LYS 59 N 0.53 0.00 0.05 3.15 3.64 -0.95 -2.90 116.57 120.08 2fmr h LYS 59 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2fmr h LYS 59 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2fmr h LYS 59 CO 0.09 0.82 -0.02 0.00 -2.27 0.00 0.00 179.45 178.07 2fmr h ALA 60 N 1.18 -0.07 0.00 5.00 0.00 -0.39 -2.89 119.26 122.09 2fmr h ALA 60 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2fmr h ALA 60 Cb 1.60 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 2fmr h ALA 60 CO 0.11 -0.28 -0.09 0.07 0.00 0.00 0.00 179.25 179.05 2fmr h ARG 61 N -0.59 0.00 -0.02 0.00 0.11 -1.34 -1.10 114.38 111.44 2fmr h ARG 61 Ca -0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 2fmr h ARG 61 Cb 0.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2fmr h ARG 61 CO 0.01 0.09 -0.47 1.03 0.10 0.00 0.00 179.97 180.74 2fmr h SER 62 N 0.00 0.05 0.01 0.08 0.87 -1.41 -0.65 113.55 112.49 2fmr h SER 62 Ca -0.00 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2fmr h SER 62 Cb 0.24 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2fmr h SER 62 CO 0.01 0.51 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.51 2fmr h PHE 63 N 0.04 0.05 0.38 2.24 0.04 -1.01 -3.37 116.94 115.30 2fmr h PHE 63 Ca -0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2fmr h PHE 63 Cb 0.84 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2fmr h PHE 63 CO 0.00 0.91 -0.18 -0.07 -0.60 0.00 0.00 178.31 178.37 2fmr h LEU 64 N -0.82 -0.43 0.00 1.54 3.38 -1.40 -3.45 115.31 114.13 2fmr h LEU 64 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2fmr h LEU 64 Cb 0.93 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2fmr h LEU 64 CO 0.01 -0.30 0.00 -0.62 0.09 0.00 0.00 178.44 177.62