#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fmr s SER 2 N 0.00 2.19 -0.12 0.00 0.01 -1.26 -4.81 113.70 109.71 2fmr s SER 2 Ca 0.00 -0.85 0.15 0.00 1.31 0.00 0.00 55.95 56.55 2fmr s SER 2 Cb 0.00 0.24 0.34 0.00 0.21 0.00 0.00 66.02 66.81 2fmr s SER 2 CO 0.00 -0.40 1.16 -1.14 0.41 0.00 0.00 173.24 173.28 2fmr n ARG 3 N 5.29 0.96 -3.17 12.44 0.63 -1.26 -4.88 116.66 126.68 2fmr n ARG 3 Ca -0.04 -2.55 -0.20 0.00 -0.92 0.00 0.00 57.85 54.15 2fmr n ARG 3 Cb 0.45 -1.09 -0.06 0.00 0.45 0.00 0.00 32.46 32.21 2fmr n ARG 3 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2fmr n PHE 4 N -0.70 -1.76 -4.56 -0.14 3.72 -1.07 -5.03 117.46 107.93 2fmr n PHE 4 Ca 0.13 -2.75 -0.27 0.00 -0.05 0.00 0.00 57.45 54.51 2fmr n PHE 4 Cb 0.78 0.58 -0.11 0.00 -0.94 0.00 0.00 39.48 39.80 2fmr n PHE 4 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2fmr s HIS 5 N 0.16 2.52 -0.15 1.38 -3.43 -1.26 -1.99 115.29 112.52 2fmr s HIS 5 Ca 0.32 -0.65 -0.11 0.00 -0.80 0.00 0.00 55.06 53.82 2fmr s HIS 5 Cb 0.05 -1.77 0.04 0.00 -1.43 0.00 0.00 32.58 29.48 2fmr s HIS 5 CO -0.15 0.43 0.37 -2.00 -2.00 0.00 0.00 174.74 171.39 2fmr s GLU 6 N -3.72 0.40 -0.02 -0.38 2.12 -0.95 -4.98 118.70 111.16 2fmr s GLU 6 Ca 0.35 0.60 0.07 0.00 0.36 0.00 0.00 54.97 56.35 2fmr s GLU 6 Cb 0.09 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 2fmr s GLU 6 CO 0.18 -0.09 -0.25 1.14 -0.54 0.00 0.00 175.26 175.70 2fmr s GLN 7 N 0.62 2.08 -0.02 4.30 1.03 -1.26 -2.47 119.66 123.94 2fmr s GLN 7 Ca -0.03 -0.89 -0.28 0.00 0.04 0.00 0.00 55.36 54.19 2fmr s GLN 7 Cb -0.05 -1.98 0.07 0.00 0.03 0.00 0.00 33.01 31.08 2fmr s GLN 7 CO -0.04 0.51 0.63 -0.59 -2.54 0.00 0.00 175.29 173.27 2fmr s PHE 8 N -0.53 -0.60 0.63 9.60 -0.12 -0.83 -4.96 117.98 121.18 2fmr s PHE 8 Ca 0.08 0.95 -0.13 0.00 -0.05 0.00 0.00 56.93 57.77 2fmr s PHE 8 Cb -0.10 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 2fmr s PHE 8 CO -0.00 -0.62 1.05 0.96 -0.05 0.00 0.00 175.22 176.55 2fmr s ILE 9 N -1.53 4.11 0.00 -4.49 -4.36 -1.26 -0.44 121.20 113.23 2fmr s ILE 9 Ca -0.10 0.81 0.03 0.00 -0.26 0.00 0.00 60.65 61.14 2fmr s ILE 9 Cb -0.01 -3.49 -0.01 0.00 1.25 0.00 0.00 42.46 40.20 2fmr s ILE 9 CO 0.07 -0.77 -0.09 -0.69 0.24 0.00 0.00 174.94 173.69 2fmr s VAL 10 N -2.83 0.71 0.37 8.37 1.01 -1.26 -4.86 120.40 121.90 2fmr s VAL 10 Ca 0.59 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 2fmr s VAL 10 Cb -0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 2fmr s VAL 10 CO 0.47 0.13 0.98 -0.60 0.00 0.00 0.00 175.10 176.08 2fmr s ARG 11 N -0.40 4.37 0.59 2.72 3.52 -1.26 -4.86 118.95 123.63 2fmr s ARG 11 Ca 0.02 1.35 0.29 0.00 -0.13 0.00 0.00 55.73 57.26 2fmr s ARG 11 Cb -0.04 -2.59 1.44 0.00 -1.56 0.00 0.00 34.95 32.20 2fmr s ARG 11 CO -0.00 0.07 1.85 0.93 -0.81 0.00 0.00 175.30 177.34 2fmr h GLU 12 N 2.69 0.00 -0.38 5.12 5.08 -2.01 0.25 114.58 125.33 2fmr h GLU 12 Ca -0.48 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 2fmr h GLU 12 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2fmr h GLU 12 CO 0.63 0.00 -0.08 0.22 -1.00 0.00 0.00 179.01 178.78 2fmr h ASP 13 N 0.00 0.74 -0.69 1.42 1.82 -1.91 -3.14 116.42 114.65 2fmr h ASP 13 Ca 0.25 -0.36 -0.44 0.00 -0.39 0.00 0.00 57.03 56.09 2fmr h ASP 13 Cb 1.35 -0.20 -0.26 0.00 0.68 0.00 0.00 39.33 40.90 2fmr h ASP 13 CO -0.00 0.92 0.05 0.18 -1.61 0.00 0.00 179.24 178.78 2fmr n LEU 14 N -4.37 5.53 -0.03 2.28 4.32 0.73 -4.17 117.00 121.29 2fmr n LEU 14 Ca -0.01 -4.15 -0.03 0.00 -0.02 0.00 0.00 56.01 51.79 2fmr n LEU 14 Cb 0.35 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.47 2fmr n LEU 14 CO 0.42 1.52 -0.24 0.80 -1.22 0.00 0.00 177.39 178.67 2fmr n MET 15 N -0.97 0.18 -1.37 3.23 1.56 -0.22 -4.68 117.12 114.86 2fmr n MET 15 Ca 0.47 0.07 0.04 0.00 -0.27 0.00 0.00 57.70 58.01 2fmr n MET 15 Cb 0.99 -0.80 0.03 0.00 2.15 0.00 0.00 33.22 35.59 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 1.61 1.14 2.96 -5.12 0.00 -1.26 -5.01 105.19 99.51 2fmr n GLY 16 Ca -0.05 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.14 1.77 -0.29 0.99 2.96 -1.26 -5.11 118.68 117.59 2fmr s LEU 17 Ca 0.31 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 2fmr s LEU 17 Cb 0.35 -0.43 0.18 0.00 0.50 0.00 0.00 46.19 46.80 2fmr s LEU 17 CO -0.15 0.04 0.52 0.00 -1.32 0.00 0.00 176.35 175.44 2fmr s ALA 18 N 0.22 -1.92 -1.13 5.97 0.00 -1.26 -4.53 121.76 119.11 2fmr s ALA 18 Ca -0.03 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.43 2fmr s ALA 18 Cb -0.07 -2.36 0.09 0.00 0.00 0.00 0.00 23.12 20.77 2fmr s ALA 18 CO 0.00 -1.81 1.51 0.42 0.00 0.00 0.00 175.76 175.87 2fmr s ILE 19 N 2.68 4.26 0.00 0.00 -1.09 -1.26 -4.76 121.20 121.03 2fmr s ILE 19 Ca 0.10 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 2fmr s ILE 19 Cb -0.11 -5.05 0.00 0.00 -1.58 0.00 0.00 42.46 35.72 2fmr s ILE 19 CO -0.27 -1.87 0.00 0.61 -1.23 0.00 0.00 174.94 172.18 2fmr n GLY 20 N 5.77 4.26 0.15 6.18 0.00 -1.26 -5.12 105.19 115.17 2fmr n GLY 20 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.59 2.61 -2.24 -1.26 -5.11 114.28 104.69 2fmr n THR 21 Ca 0.00 0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2fmr n THR 21 Cb 0.00 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.71 -0.58 0.00 4.78 -3.43 -1.26 -5.14 115.29 108.95 2fmr s HIS 22 Ca 0.00 1.22 0.00 0.00 -0.80 0.00 0.00 55.06 55.48 2fmr s HIS 22 Cb 0.00 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2fmr s HIS 22 CO 0.00 -0.41 0.00 0.41 -2.00 0.00 0.00 174.74 172.74 2fmr n GLY 23 N 1.60 0.16 3.77 -1.38 0.00 -1.26 -5.09 105.19 102.99 2fmr n GLY 23 Ca -0.14 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.00 -1.95 0.03 4.61 0.00 -1.26 -4.95 121.76 116.23 2fmr s ALA 24 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2fmr s ALA 24 Cb 0.00 0.60 -0.32 0.00 0.00 0.00 0.00 23.12 23.41 2fmr s ALA 24 CO 0.00 -1.07 0.97 -0.91 0.00 0.00 0.00 175.76 174.76 2fmr h ASN 25 N 2.00 0.63 -0.44 0.00 -0.26 -1.97 -3.33 115.58 112.21 2fmr h ASN 25 Ca -0.27 -0.73 0.04 0.00 -0.56 0.00 0.00 56.30 54.78 2fmr h ASN 25 Cb 1.21 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 38.23 2fmr h ASN 25 CO 0.30 1.58 0.21 0.40 -1.06 0.00 0.00 177.43 178.86 2fmr h ILE 26 N 0.11 0.94 -0.08 2.81 2.04 -1.95 -0.51 117.51 120.87 2fmr h ILE 26 Ca -0.23 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2fmr h ILE 26 Cb 2.08 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2fmr h ILE 26 CO 0.23 0.08 0.10 1.56 0.00 0.00 0.00 178.15 180.11 2fmr h GLN 27 N 0.42 0.00 0.06 2.37 4.20 -1.98 -1.51 115.11 118.67 2fmr h GLN 27 Ca 0.20 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 2fmr h GLN 27 Cb 0.12 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.92 2fmr h GLN 27 CO -0.15 0.00 -0.67 1.96 -0.67 0.00 0.00 178.83 179.30 2fmr h GLN 28 N 0.00 0.35 0.00 1.46 1.08 -1.22 -2.43 115.11 114.36 2fmr h GLN 28 Ca 0.04 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.78 2fmr h GLN 28 Cb 0.24 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2fmr h GLN 28 CO -0.00 1.15 -0.03 0.00 -0.95 0.00 0.00 178.83 179.00 2fmr h ALA 29 N 0.22 1.93 0.00 3.87 0.00 -0.68 -0.86 119.26 123.74 2fmr h ALA 29 Ca -0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2fmr h ALA 29 Cb 1.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2fmr h ALA 29 CO 0.13 0.04 -0.94 -0.09 0.00 0.00 0.00 179.25 178.38 2fmr h ARG 30 N 0.00 0.00 0.00 0.00 2.43 -1.40 -3.22 114.38 112.19 2fmr h ARG 30 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 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 0.00 0.93 -0.37 -0.22 -1.51 0.00 0.00 179.97 178.80 2fmr h LYS 31 N 0.00 0.00 -6.69 0.20 3.64 -0.65 -3.44 116.57 109.63 2fmr h LYS 31 Ca -0.01 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 2fmr h LYS 31 Cb 1.72 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 33.62 2fmr h LYS 31 CO 0.12 0.37 0.78 0.28 -2.27 0.00 0.00 179.45 178.73 2fmr n VAL 32 N -3.92 0.87 -2.45 2.00 0.31 -0.92 -4.89 118.33 109.33 2fmr n VAL 32 Ca -0.02 -0.22 -0.40 0.00 -0.01 0.00 0.00 64.34 63.69 2fmr n VAL 32 Cb 0.43 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 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 -0.28 3.10 0.00 5.55 0.04 -1.26 -3.69 135.00 138.46 2fmr s PRO 33 Ca 0.67 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2fmr s PRO 33 Cb -0.57 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2fmr s PRO 33 CO 0.47 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.64 2fmr n GLY 34 N 5.58 1.17 3.54 0.56 0.00 -1.26 -4.91 105.19 109.87 2fmr n GLY 34 Ca 0.09 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 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 0.27 0.11 1.61 0.31 -1.24 -3.45 118.33 115.93 2fmr n VAL 35 Ca 0.00 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 2fmr n VAL 35 Cb 0.00 -2.22 -0.07 0.00 -0.91 0.00 0.00 33.84 30.64 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 7.17 0.82 -2.38 2.52 1.35 0.17 -3.47 112.91 119.09 2fmr h THR 36 Ca -0.35 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.53 2fmr h THR 36 Cb 1.27 0.82 -0.16 0.00 -1.73 0.00 0.00 68.15 68.35 2fmr h THR 36 CO 0.99 0.00 0.33 0.00 -0.25 0.00 0.00 175.52 176.59 2fmr s ALA 37 N -6.16 -1.75 -0.00 6.62 0.00 -0.93 -5.04 121.76 114.51 2fmr s ALA 37 Ca -0.14 0.97 0.08 0.00 0.00 0.00 0.00 51.96 52.87 2fmr s ALA 37 Cb 0.06 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2fmr s ALA 37 CO 0.65 -0.59 -0.26 -1.50 0.00 0.00 0.00 175.76 174.06 2fmr s ILE 38 N -2.64 2.11 0.02 0.00 2.07 -1.26 -1.28 121.20 120.22 2fmr s ILE 38 Ca -0.01 -1.17 -0.03 0.00 -1.41 0.00 0.00 60.65 58.03 2fmr s ILE 38 Cb -0.01 -1.75 -0.01 0.00 0.13 0.00 0.00 42.46 40.82 2fmr s ILE 38 CO -0.05 0.52 0.03 -0.62 -1.91 0.00 0.00 174.94 172.92 2fmr s ASP 39 N -0.78 0.17 0.19 4.50 -1.08 -0.67 -5.03 116.67 113.96 2fmr s ASP 39 Ca 0.11 -0.41 0.11 0.00 -0.52 0.00 0.00 52.55 51.84 2fmr s ASP 39 Cb -0.10 0.14 -0.04 0.00 -1.46 0.00 0.00 42.92 41.46 2fmr s ASP 39 CO -0.00 -0.34 -0.24 -0.22 0.52 0.00 0.00 175.17 174.89 2fmr s LEU 40 N -1.49 2.44 -0.24 -1.34 0.20 -1.26 -1.55 118.68 115.44 2fmr s LEU 40 Ca -0.15 -0.85 0.02 0.00 0.69 0.00 0.00 54.13 53.85 2fmr s LEU 40 Cb -0.08 -1.19 0.05 0.00 -0.43 0.00 0.00 46.19 44.53 2fmr s LEU 40 CO -0.00 0.13 -0.14 -1.81 -0.29 0.00 0.00 176.35 174.24 2fmr s ASP 41 N -2.61 4.05 -0.45 3.68 1.11 -1.02 -4.97 116.67 116.46 2fmr s ASP 41 Ca 0.20 -1.16 0.04 0.00 0.18 0.00 0.00 52.55 51.81 2fmr s ASP 41 Cb -0.08 -1.53 0.67 0.00 1.07 0.00 0.00 42.92 43.04 2fmr s ASP 41 CO 0.10 -0.13 1.92 -0.62 1.18 0.00 0.00 175.17 177.61 2fmr n GLU 42 N 4.49 2.25 -0.03 8.23 1.02 -1.26 -2.91 120.64 132.44 2fmr n GLU 42 Ca -0.16 -3.01 -0.04 0.00 -0.02 0.00 0.00 57.16 53.93 2fmr n GLU 42 Cb 0.45 -2.18 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 2fmr n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2fmr n ASP 43 N -1.15 3.41 -0.41 1.62 2.03 -1.26 -4.78 116.55 116.01 2fmr n ASP 43 Ca 0.60 -0.02 0.05 0.00 0.52 0.00 0.00 54.79 55.94 2fmr n ASP 43 Cb 1.67 -0.09 0.09 0.00 -0.72 0.00 0.00 41.12 42.06 2fmr n ASP 43 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2fmr n THR 44 N -2.69 1.07 -2.98 5.18 5.66 -1.26 -5.06 114.28 114.20 2fmr n THR 44 Ca -0.10 -1.45 -0.01 0.00 -3.05 0.00 0.00 64.05 59.45 2fmr n THR 44 Cb 0.60 0.14 -0.00 0.00 -1.55 0.00 0.00 70.33 69.52 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 -1.01 0.00 -0.11 0.00 2.01 -1.15 -4.63 115.64 110.76 2fmr s THR 46 Ca -0.03 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.96 2fmr s THR 46 Cb 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2fmr s THR 46 CO 0.31 0.00 -0.23 0.12 -0.69 0.00 0.00 174.62 174.13 2fmr s PHE 47 N -3.68 2.49 -0.13 4.92 5.36 0.42 -2.42 117.98 124.93 2fmr s PHE 47 Ca 0.02 -1.07 0.03 0.00 -0.96 0.00 0.00 56.93 54.94 2fmr s PHE 47 Cb -0.01 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.99 2fmr s PHE 47 CO -0.12 -0.45 -0.22 -1.01 -1.46 0.00 0.00 175.22 171.97 2fmr s HIS 48 N 0.47 2.66 -0.10 10.12 3.76 -0.60 -1.96 115.29 129.64 2fmr s HIS 48 Ca -0.16 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 53.54 2fmr s HIS 48 Cb -0.17 -1.80 -0.00 0.00 1.11 0.00 0.00 32.58 31.71 2fmr s HIS 48 CO 0.06 -0.56 -0.23 0.42 -0.85 0.00 0.00 174.74 173.59 2fmr s ILE 49 N 0.71 2.16 -0.46 0.60 -1.09 -1.03 -1.67 121.20 120.42 2fmr s ILE 49 Ca -0.09 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 2fmr s ILE 49 Cb -0.16 -1.83 0.12 0.00 -1.58 0.00 0.00 42.46 39.02 2fmr s ILE 49 CO 0.01 0.56 0.23 -0.31 -1.23 0.00 0.00 174.94 174.19 2fmr s TYR 50 N 0.32 3.51 0.52 3.97 2.02 -0.40 -2.25 117.35 125.03 2fmr s TYR 50 Ca -0.17 -2.79 0.05 0.00 -0.37 0.00 0.00 57.07 53.79 2fmr s TYR 50 Cb -0.18 -3.06 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 2fmr s TYR 50 CO 0.08 -0.89 0.31 0.20 -1.57 0.00 0.00 175.55 173.69 2fmr s GLY 51 N 0.90 2.46 -0.06 0.71 0.00 -0.84 0.19 107.32 110.67 2fmr s GLY 51 Ca 0.13 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.63 2fmr s GLY 51 CO -0.04 -1.97 -0.01 -1.84 0.00 0.00 0.00 173.10 169.24 2fmr n GLU 52 N -1.61 2.05 -4.01 2.90 0.28 -1.22 -2.59 120.64 116.43 2fmr n GLU 52 Ca -0.04 0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.66 2fmr n GLU 52 Cb 0.65 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 32.31 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 -4.06 5.87 0.05 -1.84 2.15 -1.26 -4.56 116.67 113.02 2fmr s ASP 53 Ca -0.05 0.14 -0.28 0.00 0.43 0.00 0.00 52.55 52.79 2fmr s ASP 53 Cb 0.02 -1.70 -0.17 0.00 -0.30 0.00 0.00 42.92 40.77 2fmr s ASP 53 CO 0.21 0.21 1.48 1.56 -0.17 0.00 0.00 175.17 178.46 2fmr h GLN 54 N 3.50 -0.52 -0.89 4.34 7.50 -1.95 -2.41 115.11 124.67 2fmr h GLN 54 Ca -0.47 0.04 0.09 0.00 0.50 0.00 0.00 58.65 58.80 2fmr h GLN 54 Cb 1.17 0.12 -0.06 0.00 0.05 0.00 0.00 27.48 28.76 2fmr h GLN 54 CO 0.68 -0.27 0.58 0.22 -1.50 0.00 0.00 178.83 178.54 2fmr h ASP 55 N -0.69 0.82 -0.74 1.46 1.82 -1.99 -0.48 116.42 116.62 2fmr h ASP 55 Ca -0.06 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2fmr h ASP 55 Cb 0.50 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.32 2fmr h ASP 55 CO 0.09 0.49 0.48 0.00 -1.61 0.00 0.00 179.24 178.69 2fmr h ALA 56 N 1.55 1.45 -0.03 -0.78 0.00 -1.86 -2.32 119.26 117.27 2fmr h ALA 56 Ca 0.41 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2fmr h ALA 56 Cb 0.36 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2fmr h ALA 56 CO -0.17 0.50 -0.31 0.28 0.00 0.00 0.00 179.25 179.54 2fmr h VAL 57 N 1.00 1.47 -0.00 0.00 2.07 -0.64 -3.09 116.25 117.07 2fmr h VAL 57 Ca 0.27 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.97 2fmr h VAL 57 Cb -0.10 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2fmr h VAL 57 CO -0.06 0.52 -0.43 0.11 0.02 0.00 0.00 177.57 177.73 2fmr h LYS 58 N -0.30 -0.52 -0.67 1.57 1.57 -0.94 0.12 116.57 117.40 2fmr h LYS 58 Ca -0.03 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2fmr h LYS 58 Cb 1.01 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.33 2fmr h LYS 58 CO 0.06 -0.34 0.09 0.87 -0.57 0.00 0.00 179.45 179.56 2fmr h LYS 59 N -0.54 0.19 0.46 3.15 1.79 -1.56 0.47 116.57 120.54 2fmr h LYS 59 Ca 0.01 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2fmr h LYS 59 Cb 0.58 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 2fmr h LYS 59 CO -0.29 0.12 -0.49 0.00 -1.08 0.00 0.00 179.45 177.71 2fmr h ALA 60 N 1.58 -1.13 0.00 3.86 0.00 -1.27 -1.70 119.26 120.59 2fmr h ALA 60 Ca 0.36 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2fmr h ALA 60 Cb 0.60 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2fmr h ALA 60 CO -0.52 -1.17 -0.01 -0.09 0.00 0.00 0.00 179.25 177.46 2fmr h ARG 61 N -0.96 0.00 -0.86 0.00 1.12 -0.36 -2.10 114.38 111.21 2fmr h ARG 61 Ca -0.06 0.00 0.12 0.00 -1.11 0.00 0.00 59.98 58.93 2fmr h ARG 61 Cb 0.84 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.72 2fmr h ARG 61 CO -0.08 0.01 0.48 1.03 -3.11 0.00 0.00 179.97 178.31 2fmr h SER 62 N 0.00 0.65 0.12 -3.80 0.87 0.87 -1.27 113.55 110.99 2fmr h SER 62 Ca -0.00 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.39 2fmr h SER 62 Cb 0.03 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2fmr h SER 62 CO 0.00 0.32 -0.95 -0.26 -0.53 0.00 0.00 176.83 175.42 2fmr h PHE 63 N 0.74 0.85 -1.29 2.24 0.04 -1.18 -3.26 116.94 115.09 2fmr h PHE 63 Ca 0.44 -0.45 -0.58 0.00 2.80 0.00 0.00 57.97 60.18 2fmr h PHE 63 Cb 0.52 -0.10 -0.21 0.00 2.20 0.00 0.00 35.95 38.35 2fmr h PHE 63 CO -0.06 1.27 0.66 1.28 -0.60 0.00 0.00 178.31 180.86 2fmr n LEU 64 N -3.82 6.94 -0.67 1.54 4.32 -0.55 -4.86 117.00 119.90 2fmr n LEU 64 Ca -0.08 -4.25 0.08 0.00 -0.02 0.00 0.00 56.01 51.74 2fmr n LEU 64 Cb 0.83 -1.13 0.07 0.00 -1.62 0.00 0.00 43.42 41.57 2fmr n LEU 64 CO 0.53 1.66 0.51 -0.62 -1.22 0.00 0.00 177.39 178.25