#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 0.02 -0.21 0.00 0.15 -1.26 -4.69 113.70 107.71 2fmr s SER 2 Ca 0.00 0.75 -0.01 0.00 0.70 0.00 0.00 55.95 57.39 2fmr s SER 2 Cb 0.00 0.90 -0.20 0.00 -1.71 0.00 0.00 66.02 65.01 2fmr s SER 2 CO 0.00 -0.23 -0.03 -1.14 1.20 0.00 0.00 173.24 173.05 2fmr n ARG 3 N 5.17 0.69 -4.63 5.44 0.63 -1.26 -4.97 116.66 117.74 2fmr n ARG 3 Ca -0.10 0.19 -0.30 0.00 -0.92 0.00 0.00 57.85 56.72 2fmr n ARG 3 Cb 0.50 -1.58 -0.14 0.00 0.45 0.00 0.00 32.46 31.69 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2fmr s PHE 4 N -2.53 2.33 -0.09 -0.14 0.08 -1.03 -5.01 117.98 111.58 2fmr s PHE 4 Ca -0.30 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.07 2fmr s PHE 4 Cb 0.08 -1.32 0.07 0.00 -0.57 0.00 0.00 43.02 41.28 2fmr s PHE 4 CO 0.66 0.24 0.66 -3.38 -0.10 0.00 0.00 175.22 173.30 2fmr s HIS 5 N -0.94 -0.65 0.26 0.36 -3.43 -1.26 -0.56 115.29 109.06 2fmr s HIS 5 Ca 0.13 1.23 0.12 0.00 -0.80 0.00 0.00 55.06 55.74 2fmr s HIS 5 Cb -0.10 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 2fmr s HIS 5 CO 0.04 -0.54 -0.21 -2.00 -2.00 0.00 0.00 174.74 170.03 2fmr s GLU 6 N -0.86 1.63 -0.03 -0.38 2.56 -0.75 -4.97 118.70 115.90 2fmr s GLU 6 Ca -0.09 -1.70 -0.02 0.00 0.00 0.00 0.00 54.97 53.16 2fmr s GLU 6 Cb -0.01 -1.79 0.01 0.00 2.00 0.00 0.00 34.13 34.34 2fmr s GLU 6 CO 0.08 0.35 0.07 1.14 -0.56 0.00 0.00 175.26 176.34 2fmr s GLN 7 N -3.27 0.06 -0.28 4.30 -2.07 -1.26 -1.69 119.66 115.45 2fmr s GLN 7 Ca 0.27 0.14 -0.17 0.00 -1.82 0.00 0.00 55.36 53.79 2fmr s GLN 7 Cb -0.06 -0.04 0.08 0.00 -1.09 0.00 0.00 33.01 31.90 2fmr s GLN 7 CO 0.14 -0.06 0.70 -0.59 -1.32 0.00 0.00 175.29 174.16 2fmr s PHE 8 N 0.37 -1.01 0.30 9.60 -0.71 -0.91 -4.96 117.98 120.66 2fmr s PHE 8 Ca -0.03 2.08 -0.29 0.00 -1.04 0.00 0.00 56.93 57.65 2fmr s PHE 8 Cb -0.04 0.58 -0.10 0.00 -1.21 0.00 0.00 43.02 42.25 2fmr s PHE 8 CO -0.01 -0.50 1.36 0.96 -1.34 0.00 0.00 175.22 175.68 2fmr s ILE 9 N 1.45 2.68 0.13 -4.49 -4.36 -1.26 -2.21 121.20 113.14 2fmr s ILE 9 Ca -0.09 0.65 0.09 0.00 -0.26 0.00 0.00 60.65 61.04 2fmr s ILE 9 Cb -0.05 -3.41 -0.04 0.00 1.25 0.00 0.00 42.46 40.21 2fmr s ILE 9 CO -0.17 0.14 -0.23 -0.69 0.24 0.00 0.00 174.94 174.23 2fmr s VAL 10 N -0.76 1.96 0.31 8.37 1.01 -1.26 -4.91 120.40 125.11 2fmr s VAL 10 Ca 0.52 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 2fmr s VAL 10 Cb -0.41 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 2fmr s VAL 10 CO 0.50 -0.06 0.79 -0.13 0.00 0.00 0.00 175.10 176.20 2fmr s ARG 11 N -2.17 4.20 0.33 2.72 0.52 -1.26 -4.93 118.95 118.35 2fmr s ARG 11 Ca 0.12 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.25 2fmr s ARG 11 Cb -0.09 -2.58 0.58 0.00 0.52 0.00 0.00 34.95 33.37 2fmr s ARG 11 CO 0.06 0.22 1.88 0.93 0.02 0.00 0.00 175.30 178.41 2fmr h GLU 12 N 2.70 0.61 -0.05 3.54 3.07 -2.00 0.43 114.58 122.86 2fmr h GLU 12 Ca -0.48 -0.11 -0.20 0.00 -0.50 0.00 0.00 59.36 58.07 2fmr h GLU 12 Cb 1.18 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2fmr h GLU 12 CO 0.65 0.58 -0.81 0.22 -1.40 0.00 0.00 179.01 178.25 2fmr h ASP 13 N 0.59 0.50 -0.72 1.42 3.58 -2.01 -3.17 116.42 116.61 2fmr h ASP 13 Ca 0.13 -0.36 -0.39 0.00 0.42 0.00 0.00 57.03 56.83 2fmr h ASP 13 Cb 0.27 -0.15 -0.23 0.00 1.72 0.00 0.00 39.33 40.94 2fmr h ASP 13 CO 0.00 1.12 0.31 -0.11 -2.88 0.00 0.00 179.24 177.68 2fmr n LEU 14 N -3.80 5.65 -0.08 2.28 0.00 -0.90 -4.56 117.00 115.59 2fmr n LEU 14 Ca -0.05 -3.78 -0.13 0.00 0.00 0.00 0.00 56.01 52.05 2fmr n LEU 14 Cb 0.76 -0.75 -0.08 0.00 0.00 0.00 0.00 43.42 43.35 2fmr n LEU 14 CO 0.49 1.22 -0.27 -0.03 0.00 0.00 0.00 177.39 178.80 2fmr h MET 15 N 1.12 0.00 0.00 1.96 4.05 -0.14 -3.40 114.93 118.52 2fmr h MET 15 Ca 0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 2fmr h MET 15 Cb 2.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.96 2fmr h MET 15 CO 0.83 0.60 0.00 0.41 0.23 0.00 0.00 176.91 178.98 2fmr n GLY 16 N 1.55 0.35 2.24 1.39 0.00 -1.26 -4.96 105.19 104.50 2fmr n GLY 16 Ca -0.18 0.42 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2fmr n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fmr n LEU 17 N 0.00 0.91 -4.60 0.99 4.77 -1.26 -5.08 117.00 112.72 2fmr n LEU 17 Ca 0.00 -4.95 -0.43 0.00 -0.03 0.00 0.00 56.01 50.60 2fmr n LEU 17 Cb 0.00 0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2fmr n LEU 17 CO 0.00 2.20 1.34 0.00 -1.33 0.00 0.00 177.39 179.60 2fmr s ALA 18 N -2.03 3.00 -0.80 -1.18 0.00 -1.26 -4.89 121.76 114.59 2fmr s ALA 18 Ca 0.39 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 2fmr s ALA 18 Cb 0.27 -3.96 0.12 0.00 0.00 0.00 0.00 23.12 19.55 2fmr s ALA 18 CO -0.09 -2.45 2.54 -0.89 0.00 0.00 0.00 175.76 174.87 2fmr n ILE 19 N 7.17 4.13 0.00 0.00 2.08 -1.26 -4.92 119.36 126.56 2fmr n ILE 19 Ca 0.19 -3.70 0.00 0.00 0.56 0.00 0.00 62.75 59.80 2fmr n ILE 19 Cb 0.47 -1.72 0.00 0.00 -0.75 0.00 0.00 39.64 37.64 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 0.99 1.36 6.15 7.39 0.00 -1.26 -5.13 105.19 114.70 2fmr n GLY 20 Ca 0.54 -2.21 0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.55 0.00 -2.82 2.61 -1.04 -1.26 -4.70 114.28 106.52 2fmr n THR 21 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2fmr n THR 21 Cb 0.00 -0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.39 2fmr n THR 21 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2fmr s HIS 22 N -0.32 3.86 -0.34 -1.42 3.76 -1.26 -4.95 115.29 114.61 2fmr s HIS 22 Ca 0.00 1.74 0.01 0.00 -0.15 0.00 0.00 55.06 56.67 2fmr s HIS 22 Cb 0.00 -2.95 0.30 0.00 1.11 0.00 0.00 32.58 31.04 2fmr s HIS 22 CO 0.00 0.33 1.28 0.41 -0.85 0.00 0.00 174.74 175.91 2fmr n GLY 23 N 1.98 -1.40 2.39 -2.22 0.00 -1.26 -5.03 105.19 99.65 2fmr n GLY 23 Ca -0.01 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 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 1.02 6.11 -0.17 4.61 0.00 -1.26 -4.73 120.51 126.10 2fmr n ALA 24 Ca -0.01 -3.08 -0.06 0.00 0.00 0.00 0.00 53.44 50.28 2fmr n ALA 24 Cb 0.72 -1.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 2fmr n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2fmr h ASN 25 N 2.32 -1.14 -0.03 0.00 2.35 -1.96 0.98 115.58 118.10 2fmr h ASN 25 Ca 0.48 0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 56.29 2fmr h ASN 25 Cb 0.64 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 2fmr h ASN 25 CO 1.20 -0.31 -0.47 0.40 -1.65 0.00 0.00 177.43 176.60 2fmr h ILE 26 N -0.20 1.31 -0.25 2.81 2.04 -1.92 -3.11 117.51 118.19 2fmr h ILE 26 Ca 0.21 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.31 2fmr h ILE 26 Cb 0.54 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2fmr h ILE 26 CO -0.62 0.53 -0.15 1.56 0.00 0.00 0.00 178.15 179.46 2fmr h GLN 27 N 0.46 0.55 -0.60 2.37 4.20 -1.58 -2.95 115.11 117.56 2fmr h GLN 27 Ca 0.03 -0.25 0.11 0.00 0.06 0.00 0.00 58.65 58.59 2fmr h GLN 27 Cb 1.00 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.68 2fmr h GLN 27 CO 0.09 0.82 0.16 1.96 -0.67 0.00 0.00 178.83 181.19 2fmr h GLN 28 N 0.27 0.29 -0.80 1.46 4.20 0.93 0.43 115.11 121.90 2fmr h GLN 28 Ca 0.05 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2fmr h GLN 28 Cb 0.67 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 2fmr h GLN 28 CO 0.04 0.19 0.50 0.00 -0.67 0.00 0.00 178.83 178.90 2fmr h ALA 29 N 1.46 1.08 -0.27 3.87 0.00 -1.49 -2.16 119.26 121.75 2fmr h ALA 29 Ca 0.31 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 2fmr h ALA 29 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fmr h ALA 29 CO -0.37 0.27 -0.52 0.00 0.00 0.00 0.00 179.25 178.62 2fmr h ARG 30 N 0.94 0.77 -0.89 0.00 3.08 -0.93 -3.02 114.38 114.34 2fmr h ARG 30 Ca 0.34 -0.48 0.20 0.00 0.07 0.00 0.00 59.98 60.11 2fmr h ARG 30 Cb 0.10 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 2fmr h ARG 30 CO -0.15 1.10 0.59 -0.22 -1.07 0.00 0.00 179.97 180.23 2fmr h LYS 31 N 0.60 0.39 -6.77 0.04 3.64 0.44 -3.42 116.57 111.49 2fmr h LYS 31 Ca 0.02 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.81 2fmr h LYS 31 Cb 1.11 -0.09 0.11 0.00 -0.41 0.00 0.00 32.23 32.95 2fmr h LYS 31 CO 0.11 0.26 0.54 0.28 -2.27 0.00 0.00 179.45 178.37 2fmr n VAL 32 N -4.50 1.97 -2.45 2.00 0.31 -1.04 -4.91 118.33 109.71 2fmr n VAL 32 Ca 0.19 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.60 2fmr n VAL 32 Cb 0.69 -1.62 -0.02 0.00 -0.91 0.00 0.00 33.84 31.98 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 -1.86 4.12 0.00 5.55 0.04 -1.26 -3.44 135.00 138.14 2fmr s PRO 33 Ca 0.55 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2fmr s PRO 33 Cb -0.56 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2fmr s PRO 33 CO 0.62 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2fmr n GLY 34 N 3.83 3.02 3.55 0.56 0.00 -1.26 -4.57 105.19 110.32 2fmr n GLY 34 Ca 0.14 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -0.36 1.61 0.31 -1.22 -1.04 118.33 117.62 2fmr n VAL 35 Ca 0.00 -0.48 -0.00 0.00 -0.01 0.00 0.00 64.34 63.85 2fmr n VAL 35 Cb 0.00 -1.72 0.13 0.00 -0.91 0.00 0.00 33.84 31.34 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 7.56 1.18 -2.38 2.52 1.35 -0.74 -3.47 112.91 118.94 2fmr h THR 36 Ca 0.01 -0.43 0.09 0.00 -0.55 0.00 0.00 66.41 65.52 2fmr h THR 36 Cb 1.02 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2fmr h THR 36 CO 1.08 0.23 0.38 0.00 -0.25 0.00 0.00 175.52 176.96 2fmr n ALA 37 N -2.37 -1.81 -3.05 6.62 0.00 -0.53 -5.04 120.51 114.33 2fmr n ALA 37 Ca 0.13 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 2fmr n ALA 37 Cb 0.08 0.48 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.23 0.01 0.32 0.00 2.07 -1.26 -1.02 121.20 119.08 2fmr s ILE 38 Ca 0.15 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.33 2fmr s ILE 38 Cb -0.02 -0.26 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2fmr s ILE 38 CO 0.05 -0.05 0.11 -1.81 -1.91 0.00 0.00 174.94 171.33 2fmr s ASP 39 N -0.11 1.90 -0.02 4.50 1.01 0.65 -4.95 116.67 119.66 2fmr s ASP 39 Ca -0.02 -1.48 -0.16 0.00 0.71 0.00 0.00 52.55 51.60 2fmr s ASP 39 Cb -0.02 0.22 0.03 0.00 1.01 0.00 0.00 42.92 44.16 2fmr s ASP 39 CO 0.00 -0.78 0.34 -0.22 0.21 0.00 0.00 175.17 174.73 2fmr s LEU 40 N -3.43 0.74 -0.27 1.23 2.96 -1.26 -1.94 118.68 116.70 2fmr s LEU 40 Ca 0.34 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2fmr s LEU 40 Cb 0.06 1.36 0.06 0.00 0.50 0.00 0.00 46.19 48.17 2fmr s LEU 40 CO 0.15 -0.45 -0.08 -1.81 -1.32 0.00 0.00 176.35 172.84 2fmr s ASP 41 N -1.29 4.54 0.05 3.68 1.01 -0.62 -4.93 116.67 119.11 2fmr s ASP 41 Ca -0.13 -1.45 0.05 0.00 0.71 0.00 0.00 52.55 51.73 2fmr s ASP 41 Cb -0.05 -1.58 -0.24 0.00 1.01 0.00 0.00 42.92 42.07 2fmr s ASP 41 CO 0.05 -0.22 1.03 -0.33 0.21 0.00 0.00 175.17 175.91 2fmr h GLU 42 N 7.79 0.08 0.17 8.23 5.08 -1.96 -0.92 114.58 133.05 2fmr h GLU 42 Ca -0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2fmr h GLU 42 Cb 1.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2fmr h GLU 42 CO 0.48 0.93 -0.08 0.22 -1.00 0.00 0.00 179.01 179.56 2fmr h ASP 43 N 0.02 -0.19 0.70 1.42 1.82 -1.97 -3.33 116.42 114.89 2fmr h ASP 43 Ca -0.14 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.38 2fmr h ASP 43 Cb 1.90 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.95 2fmr h ASP 43 CO 0.13 0.30 -0.37 0.74 -1.61 0.00 0.00 179.24 178.43 2fmr h THR 44 N -1.05 0.96 -3.95 2.25 2.02 -1.99 -3.48 112.91 107.67 2fmr h THR 44 Ca -0.02 -1.44 0.00 0.00 0.77 0.00 0.00 66.41 65.71 2fmr h THR 44 Cb 0.23 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2fmr h THR 44 CO 0.04 0.37 -0.04 0.00 0.37 0.00 0.00 175.52 176.25 2fmr s THR 46 N -2.74 0.00 -0.11 0.00 2.01 -0.73 -4.73 115.64 109.34 2fmr s THR 46 Ca 0.02 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 60.61 2fmr s THR 46 Cb -0.01 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 2fmr s THR 46 CO 0.31 0.00 -0.20 0.12 -0.69 0.00 0.00 174.62 174.16 2fmr s PHE 47 N -3.83 2.65 -0.11 4.92 2.19 -0.94 -1.59 117.98 121.28 2fmr s PHE 47 Ca 0.24 -0.90 0.03 0.00 0.33 0.00 0.00 56.93 56.63 2fmr s PHE 47 Cb -0.01 -1.76 0.00 0.00 -1.31 0.00 0.00 43.02 39.95 2fmr s PHE 47 CO 0.11 -0.34 -0.23 -1.01 1.83 0.00 0.00 175.22 175.57 2fmr s HIS 48 N 0.34 2.59 -0.08 10.12 3.76 -0.82 -2.14 115.29 129.07 2fmr s HIS 48 Ca -0.16 -1.10 0.05 0.00 -0.15 0.00 0.00 55.06 53.69 2fmr s HIS 48 Cb -0.17 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 2fmr s HIS 48 CO 0.08 -0.46 -0.22 0.42 -0.85 0.00 0.00 174.74 173.71 2fmr s ILE 49 N 0.45 2.26 -0.34 0.60 -1.09 -0.68 -0.25 121.20 122.16 2fmr s ILE 49 Ca -0.16 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.27 2fmr s ILE 49 Cb -0.17 -1.86 0.08 0.00 -1.58 0.00 0.00 42.46 38.93 2fmr s ILE 49 CO 0.06 0.56 0.07 -0.31 -1.23 0.00 0.00 174.94 174.09 2fmr s TYR 50 N -0.00 3.43 -0.11 3.97 1.51 -0.19 -1.82 117.35 124.14 2fmr s TYR 50 Ca -0.08 -2.21 0.00 0.00 -1.01 0.00 0.00 57.07 53.78 2fmr s TYR 50 Cb -0.15 -2.56 0.02 0.00 -0.11 0.00 0.00 41.96 39.16 2fmr s TYR 50 CO 0.05 -0.88 -0.10 0.20 -1.11 0.00 0.00 175.55 173.71 2fmr s GLY 51 N 1.39 0.89 0.49 0.71 0.00 0.28 -0.05 107.32 111.03 2fmr s GLY 51 Ca 0.01 -0.60 0.17 0.00 0.00 0.00 0.00 44.72 44.30 2fmr s GLY 51 CO -0.03 0.60 2.08 -2.09 0.00 0.00 0.00 173.10 173.65 2fmr h GLU 52 N 7.89 0.00 -5.74 2.90 4.81 -1.24 -2.73 114.58 120.47 2fmr h GLU 52 Ca -0.32 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.24 2fmr h GLU 52 Cb 1.14 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 2fmr h GLU 52 CO 0.45 0.09 -0.53 -0.51 -0.73 0.00 0.00 179.01 177.78 2fmr s ASP 53 N -6.92 5.97 0.15 1.04 1.11 -1.26 -4.24 116.67 112.52 2fmr s ASP 53 Ca -0.04 0.34 -0.11 0.00 0.18 0.00 0.00 52.55 52.92 2fmr s ASP 53 Cb 0.16 -1.86 -0.00 0.00 1.07 0.00 0.00 42.92 42.29 2fmr s ASP 53 CO 0.67 0.39 1.54 -0.61 1.18 0.00 0.00 175.17 178.34 2fmr h GLN 54 N 5.12 0.96 -0.08 8.23 4.15 -1.96 -0.42 115.11 131.11 2fmr h GLN 54 Ca -0.53 -0.40 -0.07 0.00 0.77 0.00 0.00 58.65 58.42 2fmr h GLN 54 Cb 1.21 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 2fmr h GLN 54 CO 0.57 1.07 -0.30 0.22 -1.93 0.00 0.00 178.83 178.46 2fmr h ASP 55 N 0.81 0.14 0.16 -0.69 3.58 -1.96 -1.54 116.42 116.91 2fmr h ASP 55 Ca 0.11 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2fmr h ASP 55 Cb 0.76 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2fmr h ASP 55 CO 0.06 0.44 -0.08 0.00 -2.88 0.00 0.00 179.24 176.78 2fmr h ALA 56 N 1.58 -0.22 -0.69 -0.78 0.00 -1.75 -2.67 119.26 114.74 2fmr h ALA 56 Ca 0.02 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2fmr h ALA 56 Cb 0.59 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2fmr h ALA 56 CO 0.04 -0.21 0.17 -0.24 0.00 0.00 0.00 179.25 179.01 2fmr h VAL 57 N -1.05 0.58 -0.39 0.00 3.04 -1.11 0.61 116.25 117.92 2fmr h VAL 57 Ca -0.02 -0.10 0.01 0.00 -1.01 0.00 0.00 66.70 65.58 2fmr h VAL 57 Cb 0.22 0.27 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 2fmr h VAL 57 CO 0.04 0.05 0.24 0.11 -1.01 0.00 0.00 177.57 176.99 2fmr h LYS 58 N 0.28 0.47 -0.31 4.17 1.79 -1.40 0.51 116.57 122.08 2fmr h LYS 58 Ca 0.37 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2fmr h LYS 58 Cb 0.60 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2fmr h LYS 58 CO -0.46 0.31 0.20 0.87 -1.08 0.00 0.00 179.45 179.29 2fmr h LYS 59 N 0.48 0.39 -0.80 3.15 1.57 -0.72 -2.12 116.57 118.52 2fmr h LYS 59 Ca 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2fmr h LYS 59 Cb -0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2fmr h LYS 59 CO -0.06 0.26 0.38 0.00 -0.57 0.00 0.00 179.45 179.46 2fmr h ALA 60 N 1.12 1.17 -0.23 3.86 0.00 -0.63 -2.25 119.26 122.30 2fmr h ALA 60 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2fmr h ALA 60 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2fmr h ALA 60 CO -0.03 0.63 0.03 -0.09 0.00 0.00 0.00 179.25 179.79 2fmr h ARG 61 N 1.13 0.11 -0.66 0.00 2.43 -0.42 -1.94 114.38 115.03 2fmr h ARG 61 Ca 0.27 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 2fmr h ARG 61 Cb 0.11 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2fmr h ARG 61 CO -0.03 0.07 0.35 1.03 -1.51 0.00 0.00 179.97 179.87 2fmr h SER 62 N 0.11 0.82 -0.48 -3.80 0.87 -1.12 0.36 113.55 110.32 2fmr h SER 62 Ca 0.11 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2fmr h SER 62 Cb 0.11 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2fmr h SER 62 CO -0.15 0.68 0.32 -0.26 -0.53 0.00 0.00 176.83 176.89 2fmr h PHE 63 N 0.93 0.56 0.00 2.24 0.04 -0.77 -2.05 116.94 117.89 2fmr h PHE 63 Ca 0.23 0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.84 2fmr h PHE 63 Cb 0.05 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 2fmr h PHE 63 CO 0.01 0.34 -1.48 1.28 -0.60 0.00 0.00 178.31 177.86 2fmr n LEU 64 N -4.47 0.81 0.00 1.54 4.77 -0.74 -4.93 117.00 113.98 2fmr n LEU 64 Ca 0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2fmr n LEU 64 Cb 0.10 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2fmr n LEU 64 CO 0.35 0.17 0.15 -0.62 -1.33 0.00 0.00 177.39 176.11