#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 7.01 0.00 0.00 0.15 -1.26 -4.87 113.70 114.73 2fmr s SER 2 Ca 0.00 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.83 2fmr s SER 2 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2fmr s SER 2 CO 0.00 -0.32 0.00 -1.14 1.20 0.00 0.00 173.24 172.98 2fmr n ARG 3 N 0.61 0.86 -5.14 5.44 3.00 -0.47 -4.99 116.66 115.97 2fmr n ARG 3 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.55 2fmr n ARG 3 Cb 0.47 -0.95 -0.17 0.00 0.00 0.00 0.00 32.46 31.81 2fmr n ARG 3 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2fmr s PHE 4 N -1.90 2.58 0.02 -0.14 0.08 -1.19 -5.01 117.98 112.42 2fmr s PHE 4 Ca 0.00 -1.10 -0.02 0.00 0.12 0.00 0.00 56.93 55.93 2fmr s PHE 4 Cb 0.00 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 2fmr s PHE 4 CO 0.00 -0.45 0.02 -3.38 -0.10 0.00 0.00 175.22 171.31 2fmr s HIS 5 N 0.41 0.23 -0.06 0.36 -3.43 -1.26 -1.68 115.29 109.85 2fmr s HIS 5 Ca -0.17 -0.49 0.03 0.00 -0.80 0.00 0.00 55.06 53.63 2fmr s HIS 5 Cb -0.18 -0.17 0.01 0.00 -1.43 0.00 0.00 32.58 30.81 2fmr s HIS 5 CO 0.07 -0.25 -0.13 -2.00 -2.00 0.00 0.00 174.74 170.43 2fmr s GLU 6 N -1.81 1.75 -0.14 -0.38 2.12 -1.12 -4.99 118.70 114.12 2fmr s GLU 6 Ca -0.12 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.78 2fmr s GLU 6 Cb -0.07 -1.44 0.01 0.00 0.26 0.00 0.00 34.13 32.89 2fmr s GLU 6 CO -0.02 0.06 -0.21 1.14 -0.54 0.00 0.00 175.26 175.69 2fmr s GLN 7 N 0.56 3.05 -0.03 4.30 -2.07 -1.26 -2.70 119.66 121.50 2fmr s GLN 7 Ca -0.13 -0.84 -0.02 0.00 -1.82 0.00 0.00 55.36 52.55 2fmr s GLN 7 Cb -0.15 -2.46 0.02 0.00 -1.09 0.00 0.00 33.01 29.33 2fmr s GLN 7 CO 0.04 -0.01 0.08 -0.59 -1.32 0.00 0.00 175.29 173.48 2fmr s PHE 8 N 0.81 -0.06 0.26 9.60 -0.71 -0.96 -4.97 117.98 121.96 2fmr s PHE 8 Ca -0.07 0.25 -0.29 0.00 -1.04 0.00 0.00 56.93 55.77 2fmr s PHE 8 Cb -0.16 -0.11 -0.09 0.00 -1.21 0.00 0.00 43.02 41.45 2fmr s PHE 8 CO -0.02 -0.09 1.26 0.96 -1.34 0.00 0.00 175.22 175.99 2fmr s ILE 9 N 0.77 3.12 -0.06 -4.49 -4.36 -1.26 -2.49 121.20 112.41 2fmr s ILE 9 Ca -0.06 1.03 0.02 0.00 -0.26 0.00 0.00 60.65 61.38 2fmr s ILE 9 Cb -0.08 -3.65 0.01 0.00 1.25 0.00 0.00 42.46 39.98 2fmr s ILE 9 CO -0.03 0.21 -0.12 -0.69 0.24 0.00 0.00 174.94 174.55 2fmr s VAL 10 N -0.61 1.13 0.54 8.37 1.01 -1.26 -4.95 120.40 124.64 2fmr s VAL 10 Ca 0.51 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2fmr s VAL 10 Cb -0.36 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 2fmr s VAL 10 CO 0.44 0.35 0.84 0.00 0.00 0.00 0.00 175.10 176.73 2fmr s ARG 11 N 0.65 3.10 0.45 2.72 3.03 -1.26 -4.78 118.95 122.86 2fmr s ARG 11 Ca -0.14 -0.01 0.22 0.00 2.03 0.00 0.00 55.73 57.82 2fmr s ARG 11 Cb -0.16 -2.34 1.20 0.00 -1.03 0.00 0.00 34.95 32.63 2fmr s ARG 11 CO 0.04 -0.51 1.86 1.49 -1.13 0.00 0.00 175.30 177.04 2fmr h GLU 12 N 0.00 0.28 0.30 3.89 4.57 -2.01 1.17 114.58 122.78 2fmr h GLU 12 Ca -0.46 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2fmr h GLU 12 Cb 1.24 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2fmr h GLU 12 CO 0.60 0.18 -0.17 0.22 -1.18 0.00 0.00 179.01 178.67 2fmr h ASP 13 N 0.29 -0.42 1.09 1.04 3.58 -1.99 -2.99 116.42 117.02 2fmr h ASP 13 Ca 0.46 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.93 2fmr h ASP 13 Cb 1.34 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.51 2fmr h ASP 13 CO -0.14 -0.27 -0.04 -0.07 -2.88 0.00 0.00 179.24 175.84 2fmr h LEU 14 N -0.44 0.00 -0.73 2.28 4.07 -1.78 -3.20 115.31 115.52 2fmr h LEU 14 Ca -0.04 0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.08 2fmr h LEU 14 Cb 0.34 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.97 2fmr h LEU 14 CO 0.05 0.04 0.08 -0.03 -1.08 0.00 0.00 178.44 177.51 2fmr h MET 15 N 0.00 0.16 0.00 1.13 4.05 0.15 -3.40 114.93 117.03 2fmr h MET 15 Ca -0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2fmr h MET 15 Cb 0.60 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 2fmr h MET 15 CO 0.01 0.11 0.00 0.41 0.23 0.00 0.00 176.91 177.66 2fmr n GLY 16 N -1.38 0.28 2.54 1.39 0.00 -1.21 -5.01 105.19 101.80 2fmr n GLY 16 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2fmr n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fmr n LEU 17 N 0.00 -5.83 -3.15 0.99 7.94 -1.22 -5.01 117.00 110.71 2fmr n LEU 17 Ca 0.00 2.32 0.05 0.00 -1.11 0.00 0.00 56.01 57.27 2fmr n LEU 17 Cb 0.00 -3.03 -0.00 0.00 0.53 0.00 0.00 43.42 40.92 2fmr n LEU 17 CO 0.00 -3.47 0.51 0.00 -1.11 0.00 0.00 177.39 173.32 2fmr s ALA 18 N -0.55 -3.89 -0.20 1.96 0.00 -1.26 -5.02 121.76 112.80 2fmr s ALA 18 Ca -0.16 1.35 0.16 0.00 0.00 0.00 0.00 51.96 53.32 2fmr s ALA 18 Cb 0.01 -2.78 0.11 0.00 0.00 0.00 0.00 23.12 20.46 2fmr s ALA 18 CO 0.42 -1.99 1.47 0.82 0.00 0.00 0.00 175.76 176.48 2fmr h ILE 19 N 4.70 0.72 -1.85 0.00 5.03 -1.99 -3.46 117.51 120.66 2fmr h ILE 19 Ca -0.09 -2.02 -0.44 0.00 -0.12 0.00 0.00 64.86 62.19 2fmr h ILE 19 Cb 1.18 2.36 0.04 0.00 -3.03 0.00 0.00 36.82 37.36 2fmr h ILE 19 CO -0.09 0.41 -0.13 -0.83 -0.68 0.00 0.00 178.15 176.83 2fmr s GLY 20 N -4.42 1.87 0.35 5.37 0.00 -1.26 -5.13 107.32 104.10 2fmr s GLY 20 Ca 0.04 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.23 2fmr s GLY 20 CO 0.73 -1.31 0.38 -1.30 0.00 0.00 0.00 173.10 171.60 2fmr n THR 21 N -2.15 0.00 -3.13 0.90 -2.24 -1.26 -4.60 114.28 101.80 2fmr n THR 21 Ca 0.09 -1.27 -0.21 0.00 -2.27 0.00 0.00 64.05 60.39 2fmr n THR 21 Cb 0.60 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2fmr n THR 21 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2fmr n HIS 22 N -1.55 -1.75 -3.71 4.78 -0.00 -1.26 -4.92 115.22 106.82 2fmr n HIS 22 Ca 0.05 0.38 -0.30 0.00 -0.00 0.00 0.00 57.72 57.85 2fmr n HIS 22 Cb 0.38 -3.14 -0.14 0.00 -0.00 0.00 0.00 29.99 27.09 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 -2.58 1.32 -0.94 1.57 0.00 -1.26 -5.02 107.32 100.40 2fmr s GLY 23 Ca 0.31 -2.08 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 2fmr s GLY 23 CO 0.38 1.60 1.08 0.00 0.00 0.00 0.00 173.10 176.16 2fmr n ALA 24 N 4.26 4.43 -0.22 3.20 0.00 -1.26 -4.94 120.51 125.99 2fmr n ALA 24 Ca 0.03 -4.72 -0.01 0.00 0.00 0.00 0.00 53.44 48.74 2fmr n ALA 24 Cb 0.39 -1.88 0.02 0.00 0.00 0.00 0.00 19.45 17.98 2fmr n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fmr n ASN 25 N 1.68 -0.37 -0.29 0.00 3.02 -1.26 0.15 115.26 118.18 2fmr n ASN 25 Ca 0.25 0.99 0.05 0.00 -0.03 0.00 0.00 54.58 55.84 2fmr n ASN 25 Cb 0.37 -0.22 0.19 0.00 -0.61 0.00 0.00 39.78 39.51 2fmr n ASN 25 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2fmr h ILE 26 N 0.00 0.83 0.08 2.41 1.08 -1.92 -2.17 117.51 117.82 2fmr h ILE 26 Ca 0.19 -0.25 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2fmr h ILE 26 Cb 0.34 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 2fmr h ILE 26 CO -0.56 0.13 -0.04 -0.61 -0.69 0.00 0.00 178.15 176.38 2fmr h GLN 27 N 0.71 -0.11 -0.72 2.37 4.15 0.92 -2.88 115.11 119.56 2fmr h GLN 27 Ca 0.43 0.01 0.16 0.00 0.77 0.00 0.00 58.65 60.02 2fmr h GLN 27 Cb 0.50 0.02 -0.13 0.00 0.21 0.00 0.00 27.48 28.09 2fmr h GLN 27 CO -0.30 0.07 -0.02 1.96 -1.93 0.00 0.00 178.83 178.61 2fmr h GLN 28 N -0.27 0.09 -0.47 1.69 4.20 -0.85 0.64 115.11 120.14 2fmr h GLN 28 Ca -0.01 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2fmr h GLN 28 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2fmr h GLN 28 CO 0.02 0.06 0.31 0.00 -0.67 0.00 0.00 178.83 178.55 2fmr h ALA 29 N 1.68 1.75 -0.10 3.87 0.00 -1.35 -1.65 119.26 123.47 2fmr h ALA 29 Ca 0.39 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2fmr h ALA 29 Cb 0.66 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2fmr h ALA 29 CO -0.65 0.20 -0.83 -0.09 0.00 0.00 0.00 179.25 177.89 2fmr h ARG 30 N 0.55 0.65 -0.17 0.00 2.43 0.32 -3.06 114.38 115.11 2fmr h ARG 30 Ca 0.18 -0.57 0.05 0.00 -0.81 0.00 0.00 59.98 58.83 2fmr h ARG 30 Cb 0.05 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2fmr h ARG 30 CO -0.04 1.19 0.16 0.87 -1.51 0.00 0.00 179.97 180.63 2fmr h LYS 31 N 0.43 0.00 -6.66 0.20 6.56 0.40 -3.43 116.57 114.07 2fmr h LYS 31 Ca -0.06 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 58.95 2fmr h LYS 31 Cb 1.45 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 33.21 2fmr h LYS 31 CO 0.16 0.00 0.47 0.28 -2.06 0.00 0.00 179.45 178.30 2fmr n VAL 32 N -3.98 1.70 -1.31 0.50 0.31 -1.04 -4.84 118.33 109.66 2fmr n VAL 32 Ca 0.01 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.58 2fmr n VAL 32 Cb 0.28 -1.45 -0.06 0.00 -0.91 0.00 0.00 33.84 31.71 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 1.00 3.41 -1.74 5.55 -0.04 -1.26 -3.71 135.00 138.21 2fmr n PRO 33 Ca 0.07 -2.07 -0.00 0.00 -0.04 0.00 0.00 63.50 61.46 2fmr n PRO 33 Cb 0.34 -2.61 0.03 0.00 -0.04 0.00 0.00 33.50 31.22 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 3.13 -0.40 2.43 0.55 0.00 -1.26 -5.00 105.19 104.64 2fmr n GLY 34 Ca 0.70 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 46.43 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 0.03 0.19 0.24 1.61 1.01 -1.24 -3.81 120.40 118.43 2fmr s VAL 35 Ca 0.02 -2.39 -0.05 0.00 0.00 0.00 0.00 61.98 59.55 2fmr s VAL 35 Cb 0.09 -1.13 0.23 0.00 0.00 0.00 0.00 36.38 35.57 2fmr s VAL 35 CO -0.03 -1.11 1.69 0.00 0.00 0.00 0.00 175.10 175.66 2fmr h THR 36 N 4.70 0.53 -3.48 3.92 1.03 -1.63 -3.45 112.91 114.55 2fmr h THR 36 Ca 0.23 -0.10 -0.04 0.00 -0.01 0.00 0.00 66.41 66.49 2fmr h THR 36 Cb 0.93 0.22 -0.10 0.00 -1.07 0.00 0.00 68.15 68.13 2fmr h THR 36 CO 0.33 0.05 -0.06 0.00 -0.01 0.00 0.00 175.52 175.83 2fmr s ALA 37 N -6.04 -0.63 -0.00 0.00 0.00 -0.80 -5.05 121.76 109.24 2fmr s ALA 37 Ca -0.13 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2fmr s ALA 37 Cb 0.21 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 24.21 2fmr s ALA 37 CO 0.76 -0.79 0.04 -1.50 0.00 0.00 0.00 175.76 174.27 2fmr s ILE 38 N -3.92 0.06 0.02 0.00 2.07 -1.26 -0.91 121.20 117.26 2fmr s ILE 38 Ca 0.13 -0.48 -0.00 0.00 -1.41 0.00 0.00 60.65 58.89 2fmr s ILE 38 Cb -0.00 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 2fmr s ILE 38 CO 0.00 -0.26 -0.03 -0.62 -1.91 0.00 0.00 174.94 172.12 2fmr s ASP 39 N -0.82 0.26 0.21 4.50 2.15 -0.08 -4.98 116.67 117.92 2fmr s ASP 39 Ca -0.09 -0.55 0.11 0.00 0.43 0.00 0.00 52.55 52.45 2fmr s ASP 39 Cb -0.05 0.11 -0.05 0.00 -0.30 0.00 0.00 42.92 42.63 2fmr s ASP 39 CO 0.00 -0.33 -0.21 -0.22 -0.17 0.00 0.00 175.17 174.24 2fmr s LEU 40 N -1.60 2.48 -0.24 -1.34 0.20 -1.26 -1.14 118.68 115.78 2fmr s LEU 40 Ca -0.14 -0.92 0.02 0.00 0.69 0.00 0.00 54.13 53.78 2fmr s LEU 40 Cb -0.08 -1.04 0.05 0.00 -0.43 0.00 0.00 46.19 44.69 2fmr s LEU 40 CO -0.02 0.04 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.15 2fmr s ASP 41 N -2.93 4.12 -0.33 3.68 1.11 0.43 -4.95 116.67 117.80 2fmr s ASP 41 Ca 0.22 -1.18 0.08 0.00 0.18 0.00 0.00 52.55 51.85 2fmr s ASP 41 Cb -0.06 -1.54 0.70 0.00 1.07 0.00 0.00 42.92 43.09 2fmr s ASP 41 CO 0.10 -0.14 1.78 -0.62 1.18 0.00 0.00 175.17 177.47 2fmr n GLU 42 N 4.50 3.35 0.02 8.23 1.02 -1.26 -2.74 120.64 133.76 2fmr n GLU 42 Ca -0.16 -2.90 -0.01 0.00 -0.02 0.00 0.00 57.16 54.06 2fmr n GLU 42 Cb 0.44 -2.17 -0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.29 0.90 -1.42 1.62 -0.08 -1.26 -4.79 116.55 111.23 2fmr n ASP 43 Ca 0.42 0.12 -0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2fmr n ASP 43 Cb 1.40 -0.32 0.27 0.00 2.34 0.00 0.00 41.12 44.81 2fmr n ASP 43 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2fmr n THR 44 N -3.34 2.62 -3.34 5.18 5.66 -1.26 -4.99 114.28 114.82 2fmr n THR 44 Ca -0.02 -1.96 -0.27 0.00 -3.05 0.00 0.00 64.05 58.76 2fmr n THR 44 Cb 0.07 -0.31 0.02 0.00 -1.55 0.00 0.00 70.33 68.56 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 -2.04 0.48 -0.17 0.00 2.01 -1.11 -4.00 115.64 110.82 2fmr s THR 46 Ca 0.28 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2fmr s THR 46 Cb -0.04 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.88 2fmr s THR 46 CO 0.84 -0.42 -0.19 0.12 -0.69 0.00 0.00 174.62 174.28 2fmr s PHE 47 N -1.49 2.75 -0.12 4.92 2.19 -1.04 -0.43 117.98 124.77 2fmr s PHE 47 Ca -0.10 -1.47 0.02 0.00 0.33 0.00 0.00 56.93 55.72 2fmr s PHE 47 Cb -0.09 -1.89 -0.00 0.00 -1.31 0.00 0.00 43.02 39.72 2fmr s PHE 47 CO -0.00 -0.71 -0.20 -1.01 1.83 0.00 0.00 175.22 175.13 2fmr s HIS 48 N 1.11 2.66 -0.10 10.12 3.76 -0.29 -2.26 115.29 130.28 2fmr s HIS 48 Ca 0.00 -1.01 0.04 0.00 -0.15 0.00 0.00 55.06 53.95 2fmr s HIS 48 Cb -0.14 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.77 2fmr s HIS 48 CO -0.08 -0.41 -0.23 0.42 -0.85 0.00 0.00 174.74 173.59 2fmr s ILE 49 N 0.47 2.13 -0.19 0.60 -1.09 -1.10 -0.90 121.20 121.12 2fmr s ILE 49 Ca -0.14 -0.99 -0.01 0.00 -2.23 0.00 0.00 60.65 57.28 2fmr s ILE 49 Cb -0.17 -1.82 0.01 0.00 -1.58 0.00 0.00 42.46 38.90 2fmr s ILE 49 CO 0.06 0.56 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.87 2fmr s TYR 50 N 0.32 2.84 0.00 3.97 2.02 -0.09 -2.79 117.35 123.62 2fmr s TYR 50 Ca -0.18 -1.39 0.00 0.00 -0.37 0.00 0.00 57.07 55.13 2fmr s TYR 50 Cb -0.18 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2fmr s TYR 50 CO 0.09 -0.71 0.00 0.41 -1.57 0.00 0.00 175.55 173.77 2fmr n GLY 51 N 4.65 5.51 0.18 0.71 0.00 -0.68 -1.75 105.19 113.81 2fmr n GLY 51 Ca -0.20 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 0.00 -3.85 1.61 0.28 -1.25 -1.37 120.64 116.06 2fmr n GLU 52 Ca 0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.65 2fmr n GLU 52 Cb 0.00 -0.73 -0.10 0.00 1.43 0.00 0.00 31.44 32.05 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 -3.76 5.80 0.58 -1.84 1.01 -1.26 -4.10 116.67 113.11 2fmr s ASP 53 Ca 0.00 0.09 0.28 0.00 0.71 0.00 0.00 52.55 53.63 2fmr s ASP 53 Cb 0.00 -2.02 1.64 0.00 1.01 0.00 0.00 42.92 43.55 2fmr s ASP 53 CO 0.00 0.13 2.11 0.06 0.21 0.00 0.00 175.17 177.68 2fmr h GLN 54 N 7.03 0.00 -0.13 8.23 -0.00 -1.96 -0.88 115.11 127.40 2fmr h GLN 54 Ca -0.38 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.08 2fmr h GLN 54 Cb 1.17 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.65 2fmr h GLN 54 CO 0.69 0.00 -0.67 0.22 -0.00 0.00 0.00 178.83 179.07 2fmr h ASP 55 N 0.00 0.82 0.39 0.06 1.82 -1.98 -3.05 116.42 114.48 2fmr h ASP 55 Ca 0.08 -0.63 -0.02 0.00 -0.39 0.00 0.00 57.03 56.07 2fmr h ASP 55 Cb 0.44 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.22 2fmr h ASP 55 CO -0.00 1.32 -0.19 0.00 -1.61 0.00 0.00 179.24 178.76 2fmr h ALA 56 N 0.52 -0.53 -1.00 -0.78 0.00 -1.49 -2.93 119.26 113.05 2fmr h ALA 56 Ca -0.05 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.93 2fmr h ALA 56 Cb 1.31 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 19.18 2fmr h ALA 56 CO 0.14 -0.71 0.60 0.28 0.00 0.00 0.00 179.25 179.56 2fmr h VAL 57 N -0.71 0.57 -0.84 0.00 2.07 -1.54 0.24 116.25 116.04 2fmr h VAL 57 Ca -0.05 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2fmr h VAL 57 Cb 0.50 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2fmr h VAL 57 CO 0.09 0.11 0.52 0.11 0.02 0.00 0.00 177.57 178.43 2fmr h LYS 58 N 0.62 0.95 -0.47 1.57 1.79 -1.40 0.11 116.57 119.74 2fmr h LYS 58 Ca 0.63 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.98 2fmr h LYS 58 Cb 1.15 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.57 2fmr h LYS 58 CO -0.46 0.63 0.03 0.87 -1.08 0.00 0.00 179.45 179.45 2fmr h LYS 59 N 0.98 0.81 -0.23 3.15 1.79 -0.41 -2.22 116.57 120.42 2fmr h LYS 59 Ca 0.36 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 2fmr h LYS 59 Cb 0.12 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2fmr h LYS 59 CO -0.15 0.84 -0.14 0.00 -1.08 0.00 0.00 179.45 178.91 2fmr h ALA 60 N 0.94 1.33 -0.10 3.86 0.00 -0.66 -2.32 119.26 122.30 2fmr h ALA 60 Ca 0.14 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2fmr h ALA 60 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2fmr h ALA 60 CO 0.02 0.45 -0.40 -0.09 0.00 0.00 0.00 179.25 179.23 2fmr h ARG 61 N 0.36 0.22 -0.54 0.00 2.43 -0.51 -2.46 114.38 113.88 2fmr h ARG 61 Ca 0.07 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2fmr h ARG 61 Cb 0.47 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2fmr h ARG 61 CO 0.03 0.59 0.15 1.03 -1.51 0.00 0.00 179.97 180.26 2fmr h SER 62 N 0.19 0.80 1.18 -3.80 0.87 -0.84 -2.32 113.55 109.63 2fmr h SER 62 Ca 0.02 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2fmr h SER 62 Cb 0.79 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2fmr h SER 62 CO 0.06 0.81 -0.07 -0.26 -0.53 0.00 0.00 176.83 176.84 2fmr h PHE 63 N 0.75 0.00 -0.75 2.24 0.04 -1.37 -2.97 116.94 114.89 2fmr h PHE 63 Ca 0.17 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.52 2fmr h PHE 63 Cb 0.30 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 38.23 2fmr h PHE 63 CO 0.02 0.07 0.54 1.28 -0.60 0.00 0.00 178.31 179.62 2fmr n LEU 64 N -3.17 6.17 -0.73 1.54 4.77 -0.88 -4.67 117.00 120.03 2fmr n LEU 64 Ca 0.01 -3.28 0.09 0.00 -0.03 0.00 0.00 56.01 52.80 2fmr n LEU 64 Cb 0.39 -0.83 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 2fmr n LEU 64 CO 0.30 1.03 0.54 -0.62 -1.33 0.00 0.00 177.39 177.32