#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 7.06 0.06 0.00 0.01 -1.26 -4.99 113.70 114.58 2fmr s SER 2 Ca 0.00 1.34 -0.15 0.00 1.31 0.00 0.00 55.95 58.45 2fmr s SER 2 Cb 0.00 -2.39 -0.26 0.00 0.21 0.00 0.00 66.02 63.58 2fmr s SER 2 CO 0.00 0.14 1.13 -0.09 0.41 0.00 0.00 173.24 174.83 2fmr h ARG 3 N 3.88 0.64 -5.64 12.44 9.65 -1.86 -3.46 114.38 130.03 2fmr h ARG 3 Ca -0.48 -0.77 -0.46 0.00 -1.10 0.00 0.00 59.98 57.17 2fmr h ARG 3 Cb 1.20 0.24 -0.19 0.00 -1.39 0.00 0.00 29.97 29.83 2fmr h ARG 3 CO 0.65 1.34 -0.77 -0.06 2.80 0.00 0.00 179.97 183.92 2fmr s PHE 4 N -3.13 1.55 0.34 2.20 0.08 -1.11 -5.05 117.98 112.86 2fmr s PHE 4 Ca -0.10 -0.51 -0.14 0.00 0.12 0.00 0.00 56.93 56.30 2fmr s PHE 4 Cb 0.06 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.73 2fmr s PHE 4 CO 0.92 0.20 0.69 -3.38 -0.10 0.00 0.00 175.22 173.54 2fmr s HIS 5 N -1.94 0.25 -0.10 0.36 -3.43 -1.26 -2.25 115.29 106.91 2fmr s HIS 5 Ca 0.10 -0.77 -0.07 0.00 -0.80 0.00 0.00 55.06 53.52 2fmr s HIS 5 Cb -0.06 0.58 0.04 0.00 -1.43 0.00 0.00 32.58 31.71 2fmr s HIS 5 CO 0.04 -1.36 0.26 -2.00 -2.00 0.00 0.00 174.74 169.68 2fmr s GLU 6 N -2.96 0.26 -0.18 -0.38 2.56 -0.99 -4.98 118.70 112.02 2fmr s GLU 6 Ca 0.18 0.47 0.00 0.00 0.00 0.00 0.00 54.97 55.62 2fmr s GLU 6 Cb -0.04 -0.00 0.04 0.00 2.00 0.00 0.00 34.13 36.13 2fmr s GLU 6 CO 0.12 -0.11 -0.09 -0.65 -0.56 0.00 0.00 175.26 173.97 2fmr s GLN 7 N 0.80 1.86 -0.01 4.30 1.11 -1.26 -1.94 119.66 124.52 2fmr s GLN 7 Ca -0.05 -0.70 0.02 0.00 0.01 0.00 0.00 55.36 54.64 2fmr s GLN 7 Cb -0.07 -2.24 -0.00 0.00 -1.01 0.00 0.00 33.01 29.69 2fmr s GLN 7 CO -0.05 -0.41 -0.07 -0.59 0.01 0.00 0.00 175.29 174.18 2fmr s PHE 8 N 1.49 0.65 0.18 0.91 -0.12 -1.08 -4.94 117.98 115.07 2fmr s PHE 8 Ca 0.00 -0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.45 2fmr s PHE 8 Cb -0.15 -0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 41.72 2fmr s PHE 8 CO -0.08 -0.03 1.15 0.96 -0.05 0.00 0.00 175.22 177.17 2fmr s ILE 9 N -0.06 3.71 0.01 -4.49 -4.36 -1.26 -1.36 121.20 113.38 2fmr s ILE 9 Ca 0.01 1.46 0.06 0.00 -0.26 0.00 0.00 60.65 61.92 2fmr s ILE 9 Cb -0.04 -3.93 -0.02 0.00 1.25 0.00 0.00 42.46 39.72 2fmr s ILE 9 CO -0.00 0.24 -0.18 0.54 0.24 0.00 0.00 174.94 175.79 2fmr s VAL 10 N -0.17 1.39 0.03 8.37 0.11 -1.25 -4.94 120.40 123.94 2fmr s VAL 10 Ca 0.51 -0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2fmr s VAL 10 Cb -0.31 -1.19 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 2fmr s VAL 10 CO 0.36 0.27 0.02 0.54 -3.33 0.00 0.00 175.10 172.96 2fmr n ARG 11 N 2.32 -1.36 -0.12 1.54 5.12 -1.26 -4.77 116.66 118.13 2fmr n ARG 11 Ca -0.16 -0.03 -0.18 0.00 -1.93 0.00 0.00 57.85 55.55 2fmr n ARG 11 Cb 0.54 -0.03 -0.11 0.00 -1.16 0.00 0.00 32.46 31.70 2fmr n ARG 11 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2fmr n GLU 12 N -1.73 0.59 -0.11 5.56 2.13 -1.26 -3.65 120.64 122.18 2fmr n GLU 12 Ca 0.00 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 2fmr n GLU 12 Cb 0.01 -1.47 -0.02 0.00 0.27 0.00 0.00 31.44 30.23 2fmr n GLU 12 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2fmr h ASP 13 N -0.11 0.51 -0.99 4.31 3.58 -2.03 -2.84 116.42 118.85 2fmr h ASP 13 Ca -0.55 -0.25 -0.53 0.00 0.42 0.00 0.00 57.03 56.12 2fmr h ASP 13 Cb 1.80 -0.14 -0.30 0.00 1.72 0.00 0.00 39.33 42.41 2fmr h ASP 13 CO -0.12 0.63 0.67 0.18 -2.88 0.00 0.00 179.24 177.72 2fmr n LEU 14 N -4.61 6.82 0.27 2.28 4.77 -1.26 -4.56 117.00 120.71 2fmr n LEU 14 Ca -0.02 -3.71 -0.11 0.00 -0.03 0.00 0.00 56.01 52.14 2fmr n LEU 14 Cb 0.21 -0.85 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 2fmr n LEU 14 CO 0.38 1.11 0.34 -0.03 -1.33 0.00 0.00 177.39 177.86 2fmr h MET 15 N 1.14 -0.70 -1.61 3.23 4.05 -1.57 -3.41 114.93 116.06 2fmr h MET 15 Ca 0.63 0.05 -0.44 0.00 -0.28 0.00 0.00 59.70 59.66 2fmr h MET 15 Cb 2.57 0.16 -0.40 0.00 -0.80 0.00 0.00 31.60 33.13 2fmr h MET 15 CO 1.16 -0.47 -1.18 0.41 0.23 0.00 0.00 176.91 177.06 2fmr n GLY 16 N -0.35 2.87 3.64 1.39 0.00 -1.26 -4.89 105.19 106.60 2fmr n GLY 16 Ca -0.09 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.73 3.62 0.00 0.99 2.96 -1.26 -4.92 118.68 117.33 2fmr s LEU 17 Ca 0.35 0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2fmr s LEU 17 Cb 0.39 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2fmr s LEU 17 CO -0.04 0.28 0.02 0.00 -1.32 0.00 0.00 176.35 175.30 2fmr n ALA 18 N 2.80 -0.03 -3.89 5.97 0.00 -1.26 -4.99 120.51 119.11 2fmr n ALA 18 Ca -0.18 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 2fmr n ALA 18 Cb 0.53 0.05 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 2fmr n ALA 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2fmr s ILE 19 N -2.60 2.83 0.00 0.00 -1.09 -1.26 -5.04 121.20 114.03 2fmr s ILE 19 Ca 0.01 -2.37 0.00 0.00 -2.23 0.00 0.00 60.65 56.06 2fmr s ILE 19 Cb -0.00 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2fmr s ILE 19 CO 0.01 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 173.65 2fmr n GLY 20 N 4.23 1.16 0.02 6.18 0.00 -1.26 -5.02 105.19 110.50 2fmr n GLY 20 Ca 0.02 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.26 2fmr n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2fmr n THR 21 N -0.29 0.25 -2.55 2.61 5.66 -1.26 -4.69 114.28 114.01 2fmr n THR 21 Ca 0.00 -0.26 -0.11 0.00 -3.05 0.00 0.00 64.05 60.63 2fmr n THR 21 Cb 0.00 -0.20 0.03 0.00 -1.55 0.00 0.00 70.33 68.61 2fmr n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fmr n HIS 22 N -2.02 1.87 -4.06 1.09 1.44 -1.26 -5.08 115.22 107.20 2fmr n HIS 22 Ca -0.07 -2.38 -0.09 0.00 -2.01 0.00 0.00 57.72 53.17 2fmr n HIS 22 Cb 0.47 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.27 2fmr n HIS 22 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fmr n GLY 23 N -0.52 3.26 3.60 -1.39 0.00 -1.26 -5.19 105.19 103.69 2fmr n GLY 23 Ca 0.21 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.56 -1.65 -0.09 4.61 0.00 -1.26 -4.97 121.76 115.83 2fmr s ALA 24 Ca 0.19 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 2fmr s ALA 24 Cb 0.01 0.63 -0.28 0.00 0.00 0.00 0.00 23.12 23.48 2fmr s ALA 24 CO 0.13 -0.85 0.64 -2.95 0.00 0.00 0.00 175.76 172.73 2fmr h ASN 25 N 2.00 0.38 -0.60 0.00 7.08 -1.91 -3.27 115.58 119.26 2fmr h ASN 25 Ca -0.25 -0.87 -0.00 0.00 -3.08 0.00 0.00 56.30 52.10 2fmr h ASN 25 Cb 1.25 -0.12 -0.03 0.00 -2.08 0.00 0.00 38.32 37.34 2fmr h ASN 25 CO 0.30 1.53 0.37 0.16 -2.08 0.00 0.00 177.43 177.71 2fmr h ILE 26 N -0.37 1.17 -0.61 6.14 3.07 -1.95 -2.27 117.51 122.68 2fmr h ILE 26 Ca -0.25 -0.38 -0.09 0.00 1.55 0.00 0.00 64.86 65.69 2fmr h ILE 26 Cb 1.69 0.31 -0.02 0.00 -0.27 0.00 0.00 36.82 38.53 2fmr h ILE 26 CO 0.07 0.18 0.02 -0.61 -1.05 0.00 0.00 178.15 176.76 2fmr h GLN 27 N 0.84 1.06 -0.92 0.16 4.15 -1.98 -2.41 115.11 115.99 2fmr h GLN 27 Ca 0.22 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.34 2fmr h GLN 27 Cb -0.03 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 2fmr h GLN 27 CO -0.04 1.02 0.61 1.96 -1.93 0.00 0.00 178.83 180.45 2fmr h GLN 28 N 0.97 1.17 0.00 1.69 1.08 -1.46 0.32 115.11 118.89 2fmr h GLN 28 Ca 0.18 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 2fmr h GLN 28 Cb 0.53 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2fmr h GLN 28 CO 0.03 0.78 -0.33 0.00 -0.95 0.00 0.00 178.83 178.35 2fmr h ALA 29 N 1.44 1.16 0.00 3.87 0.00 -1.26 -2.66 119.26 121.82 2fmr h ALA 29 Ca 0.35 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2fmr h ALA 29 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2fmr h ALA 29 CO -0.09 0.41 -1.02 0.00 0.00 0.00 0.00 179.25 178.55 2fmr h ARG 30 N 0.00 0.00 -0.03 0.00 3.08 -0.59 -3.29 114.38 113.55 2fmr h ARG 30 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2fmr h ARG 30 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2fmr h ARG 30 CO 0.04 0.54 -0.57 0.87 -1.07 0.00 0.00 179.97 179.79 2fmr h LYS 31 N 0.00 0.08 -6.82 0.04 1.57 -0.11 -3.44 116.57 107.89 2fmr h LYS 31 Ca -0.08 -0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 58.11 2fmr h LYS 31 Cb 1.60 0.01 0.07 0.00 0.08 0.00 0.00 32.23 33.99 2fmr h LYS 31 CO 0.07 0.63 0.78 0.08 -0.57 0.00 0.00 179.45 180.45 2fmr s VAL 32 N -3.76 2.38 -0.85 0.50 1.01 -1.06 -4.92 120.40 113.71 2fmr s VAL 32 Ca -0.02 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 2fmr s VAL 32 Cb 0.13 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.32 2fmr s VAL 32 CO 0.77 0.06 1.37 -2.16 0.00 0.00 0.00 175.10 175.15 2fmr s PRO 33 N -0.91 3.32 0.00 2.72 0.04 -1.26 -3.84 135.00 135.07 2fmr s PRO 33 Ca 0.58 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.06 2fmr s PRO 33 Cb -0.44 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2fmr s PRO 33 CO 0.49 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2fmr n GLY 34 N 6.00 0.27 3.55 0.56 0.00 -1.26 -4.91 105.19 109.40 2fmr n GLY 34 Ca 0.16 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 2.21 -0.03 1.61 0.31 -1.25 -2.96 118.33 118.23 2fmr n VAL 35 Ca 0.00 -0.36 -0.04 0.00 -0.01 0.00 0.00 64.34 63.93 2fmr n VAL 35 Cb 0.00 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2fmr n VAL 35 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2fmr n THR 36 N -2.55 0.35 -3.80 2.52 -2.24 0.47 -4.75 114.28 104.27 2fmr n THR 36 Ca 0.12 -0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 2fmr n THR 36 Cb 0.50 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2fmr n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2fmr s ALA 37 N -2.12 -1.64 -0.01 6.98 0.00 0.34 -5.00 121.76 120.31 2fmr s ALA 37 Ca -0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.66 2fmr s ALA 37 Cb 0.02 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.85 2fmr s ALA 37 CO 0.17 -1.05 0.36 -1.50 0.00 0.00 0.00 175.76 173.74 2fmr s ILE 38 N -2.71 0.05 0.23 0.00 2.07 -1.26 0.83 121.20 120.41 2fmr s ILE 38 Ca 0.17 -0.43 -0.08 0.00 -1.41 0.00 0.00 60.65 58.90 2fmr s ILE 38 Cb -0.02 -0.72 -0.02 0.00 0.13 0.00 0.00 42.46 41.84 2fmr s ILE 38 CO 0.03 -0.24 0.33 -1.81 -1.91 0.00 0.00 174.94 171.35 2fmr s ASP 39 N -1.43 0.03 0.02 4.50 1.11 0.35 -4.95 116.67 116.29 2fmr s ASP 39 Ca -0.12 -1.14 0.04 0.00 0.18 0.00 0.00 52.55 51.52 2fmr s ASP 39 Cb -0.04 0.50 -0.02 0.00 1.07 0.00 0.00 42.92 44.44 2fmr s ASP 39 CO 0.04 -1.01 -0.13 -0.22 1.18 0.00 0.00 175.17 175.02 2fmr s LEU 40 N -3.08 2.10 -0.23 1.23 0.20 -1.26 -1.68 118.68 115.96 2fmr s LEU 40 Ca 0.30 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.79 2fmr s LEU 40 Cb 0.03 -0.61 0.04 0.00 -0.43 0.00 0.00 46.19 45.22 2fmr s LEU 40 CO 0.11 0.08 -0.14 -0.62 -0.29 0.00 0.00 176.35 175.48 2fmr s ASP 41 N -0.75 3.93 -0.06 3.68 2.15 0.22 -4.92 116.67 120.92 2fmr s ASP 41 Ca 0.03 -1.09 0.20 0.00 0.43 0.00 0.00 52.55 52.12 2fmr s ASP 41 Cb -0.06 -1.53 -0.31 0.00 -0.30 0.00 0.00 42.92 40.72 2fmr s ASP 41 CO 0.00 -0.11 0.39 -0.62 -0.17 0.00 0.00 175.17 174.66 2fmr n GLU 42 N 4.51 0.67 -0.29 4.34 -0.58 -1.26 0.16 120.64 128.19 2fmr n GLU 42 Ca -0.17 -0.16 0.09 0.00 -0.42 0.00 0.00 57.16 56.50 2fmr n GLU 42 Cb 0.45 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 30.07 2fmr n GLU 42 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2fmr h ASP 43 N 0.00 0.33 0.00 1.62 3.58 -1.95 -2.97 116.42 117.03 2fmr h ASP 43 Ca -0.10 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 2fmr h ASP 43 Cb 1.18 0.10 -0.29 0.00 1.72 0.00 0.00 39.33 42.04 2fmr h ASP 43 CO 0.01 0.08 -0.89 1.07 -2.88 0.00 0.00 179.24 176.63 2fmr n THR 44 N -5.00 0.44 -3.14 2.25 5.66 -1.26 -5.05 114.28 108.18 2fmr n THR 44 Ca 0.18 -1.38 -0.20 0.00 -3.05 0.00 0.00 64.05 59.61 2fmr n THR 44 Cb 0.52 0.72 0.02 0.00 -1.55 0.00 0.00 70.33 70.03 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 -1.91 0.14 -0.07 0.00 2.01 0.41 -3.85 115.64 112.38 2fmr s THR 46 Ca 0.26 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 61.13 2fmr s THR 46 Cb -0.05 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 2fmr s THR 46 CO 0.75 -0.65 -0.24 0.12 -0.69 0.00 0.00 174.62 173.91 2fmr s PHE 47 N -3.03 2.50 -0.11 4.92 5.36 -0.47 0.71 117.98 127.86 2fmr s PHE 47 Ca -0.01 -0.77 0.03 0.00 -0.96 0.00 0.00 56.93 55.22 2fmr s PHE 47 Cb 0.01 -1.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.05 2fmr s PHE 47 CO -0.07 -0.25 -0.23 -1.01 -1.46 0.00 0.00 175.22 172.21 2fmr s HIS 48 N -0.04 2.60 -0.08 10.12 3.76 -0.68 -2.64 115.29 128.33 2fmr s HIS 48 Ca -0.07 -1.06 0.05 0.00 -0.15 0.00 0.00 55.06 53.83 2fmr s HIS 48 Cb -0.15 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 2fmr s HIS 48 CO 0.05 -0.43 -0.24 0.42 -0.85 0.00 0.00 174.74 173.69 2fmr s ILE 49 N 0.41 2.10 -0.43 0.60 -1.09 -0.82 -0.50 121.20 121.47 2fmr s ILE 49 Ca -0.17 -1.03 0.02 0.00 -2.23 0.00 0.00 60.65 57.25 2fmr s ILE 49 Cb -0.17 -1.78 0.12 0.00 -1.58 0.00 0.00 42.46 39.04 2fmr s ILE 49 CO 0.07 0.56 0.18 -0.31 -1.23 0.00 0.00 174.94 174.21 2fmr s TYR 50 N 0.10 3.54 -0.02 3.97 2.02 0.24 -2.35 117.35 124.85 2fmr s TYR 50 Ca -0.11 -2.91 0.05 0.00 -0.37 0.00 0.00 57.07 53.72 2fmr s TYR 50 Cb -0.16 -2.99 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 2fmr s TYR 50 CO 0.06 -0.89 -0.16 0.20 -1.57 0.00 0.00 175.55 173.20 2fmr s GLY 51 N 0.73 0.79 0.51 0.71 0.00 -0.96 0.18 107.32 109.28 2fmr s GLY 51 Ca 0.13 -0.65 0.30 0.00 0.00 0.00 0.00 44.72 44.49 2fmr s GLY 51 CO -0.05 -0.47 1.85 -2.09 0.00 0.00 0.00 173.10 172.34 2fmr h GLU 52 N 5.93 0.00 -5.04 2.90 4.81 -1.73 -2.94 114.58 118.51 2fmr h GLU 52 Ca -0.35 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.22 2fmr h GLU 52 Cb 1.16 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.21 2fmr h GLU 52 CO 0.48 0.01 -0.82 -0.51 -0.73 0.00 0.00 179.01 177.44 2fmr s ASP 53 N -5.88 3.50 0.55 1.04 1.11 -1.26 -4.44 116.67 111.30 2fmr s ASP 53 Ca 0.03 -0.57 0.25 0.00 0.18 0.00 0.00 52.55 52.45 2fmr s ASP 53 Cb 0.08 -1.56 1.48 0.00 1.07 0.00 0.00 42.92 43.98 2fmr s ASP 53 CO 0.59 -0.00 2.06 -0.61 1.18 0.00 0.00 175.17 178.38 2fmr h GLN 54 N 7.98 0.00 -0.32 8.23 4.15 -1.93 -0.72 115.11 132.50 2fmr h GLN 54 Ca -0.44 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.94 2fmr h GLN 54 Cb 1.15 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2fmr h GLN 54 CO 0.63 0.00 0.07 0.22 -1.93 0.00 0.00 178.83 177.82 2fmr h ASP 55 N 0.00 0.49 0.02 -0.69 1.82 -1.96 -2.43 116.42 113.66 2fmr h ASP 55 Ca 0.14 -0.24 -0.10 0.00 -0.39 0.00 0.00 57.03 56.45 2fmr h ASP 55 Cb 0.65 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2fmr h ASP 55 CO -0.00 0.60 -0.30 0.00 -1.61 0.00 0.00 179.24 177.93 2fmr h ALA 56 N 0.91 1.09 -0.70 -0.78 0.00 -1.51 -2.80 119.26 115.47 2fmr h ALA 56 Ca 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2fmr h ALA 56 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2fmr h ALA 56 CO 0.00 0.57 0.37 0.28 0.00 0.00 0.00 179.25 180.47 2fmr h VAL 57 N 0.37 1.21 0.39 0.00 2.07 -1.13 -0.39 116.25 118.77 2fmr h VAL 57 Ca 0.05 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2fmr h VAL 57 Cb 0.72 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2fmr h VAL 57 CO 0.05 0.24 -0.19 0.11 0.02 0.00 0.00 177.57 177.81 2fmr h LYS 58 N 0.98 -0.50 -0.99 1.57 1.57 -1.18 -1.34 116.57 116.69 2fmr h LYS 58 Ca 0.25 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.27 2fmr h LYS 58 Cb 0.05 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 2fmr h LYS 58 CO -0.04 -0.33 0.62 0.87 -0.57 0.00 0.00 179.45 180.00 2fmr h LYS 59 N -0.64 0.58 0.29 3.15 1.79 -1.52 -0.92 116.57 119.30 2fmr h LYS 59 Ca -0.05 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 2fmr h LYS 59 Cb 0.40 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2fmr h LYS 59 CO 0.09 0.38 -0.14 0.00 -1.08 0.00 0.00 179.45 178.70 2fmr h ALA 60 N 1.63 -0.39 -0.77 3.86 0.00 -1.02 -2.86 119.26 119.71 2fmr h ALA 60 Ca 0.56 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.46 2fmr h ALA 60 Cb 1.09 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 2fmr h ALA 60 CO -0.31 -0.69 0.41 -0.09 0.00 0.00 0.00 179.25 178.57 2fmr h ARG 61 N -0.46 0.65 -0.92 0.00 1.12 -0.01 -1.13 114.38 113.63 2fmr h ARG 61 Ca -0.04 -0.04 0.19 0.00 -1.11 0.00 0.00 59.98 58.98 2fmr h ARG 61 Cb 0.35 -0.15 -0.11 0.00 -0.01 0.00 0.00 29.97 30.05 2fmr h ARG 61 CO 0.07 0.43 0.48 1.03 -3.11 0.00 0.00 179.97 178.87 2fmr h SER 62 N 0.67 0.54 0.09 -3.80 0.87 -1.09 1.35 113.55 112.19 2fmr h SER 62 Ca 0.38 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.96 2fmr h SER 62 Cb 0.41 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2fmr h SER 62 CO -0.28 0.15 -0.34 -0.26 -0.53 0.00 0.00 176.83 175.57 2fmr h PHE 63 N 0.58 0.40 0.00 2.24 0.04 -1.08 -3.38 116.94 115.74 2fmr h PHE 63 Ca 0.54 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.22 2fmr h PHE 63 Cb 0.91 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.97 2fmr h PHE 63 CO -0.08 0.65 0.00 1.28 -0.60 0.00 0.00 178.31 179.57 2fmr n LEU 64 N -4.08 0.52 0.00 1.54 4.32 0.76 -4.70 117.00 115.36 2fmr n LEU 64 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 2fmr n LEU 64 Cb 0.44 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2fmr n LEU 64 CO 0.42 -0.12 0.00 -0.62 -1.22 0.00 0.00 177.39 175.85