#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 5.66 0.00 0.00 1.04 -1.26 -5.02 113.70 114.12 2fmr s SER 2 Ca 0.00 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2fmr s SER 2 Cb 0.00 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.25 2fmr s SER 2 CO 0.00 -0.77 0.00 0.54 0.98 0.00 0.00 173.24 173.99 2fmr n ARG 3 N -1.92 0.04 -5.28 4.02 1.74 -1.26 -5.07 116.66 108.94 2fmr n ARG 3 Ca 0.06 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.83 2fmr n ARG 3 Cb 0.59 -0.73 -0.16 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.46 2.41 0.22 -1.55 0.08 -0.44 -5.02 117.98 112.22 2fmr s PHE 4 Ca 0.00 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.36 2fmr s PHE 4 Cb 0.00 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2fmr s PHE 4 CO 0.00 -0.16 0.30 -3.38 -0.10 0.00 0.00 175.22 171.88 2fmr s HIS 5 N -0.31 0.76 -0.16 0.36 -3.43 -1.26 0.13 115.29 111.39 2fmr s HIS 5 Ca 0.01 -1.05 -0.09 0.00 -0.80 0.00 0.00 55.06 53.13 2fmr s HIS 5 Cb -0.13 -0.19 0.06 0.00 -1.43 0.00 0.00 32.58 30.89 2fmr s HIS 5 CO 0.02 -0.81 0.39 -2.00 -2.00 0.00 0.00 174.74 170.34 2fmr s GLU 6 N -4.09 0.37 -0.10 -0.38 2.56 -0.80 -4.98 118.70 111.29 2fmr s GLU 6 Ca 0.31 0.74 0.04 0.00 0.00 0.00 0.00 54.97 56.05 2fmr s GLU 6 Cb 0.03 -0.02 -0.00 0.00 2.00 0.00 0.00 34.13 36.13 2fmr s GLU 6 CO 0.10 -0.15 -0.22 1.14 -0.56 0.00 0.00 175.26 175.56 2fmr s GLN 7 N 1.31 3.02 -0.12 4.30 -2.07 -1.26 -2.33 119.66 122.52 2fmr s GLN 7 Ca -0.09 -0.85 -0.05 0.00 -1.82 0.00 0.00 55.36 52.54 2fmr s GLN 7 Cb -0.08 -2.33 0.06 0.00 -1.09 0.00 0.00 33.01 29.57 2fmr s GLN 7 CO -0.11 0.22 0.26 -0.59 -1.32 0.00 0.00 175.29 173.75 2fmr s PHE 8 N 0.26 -0.40 0.46 9.60 -0.71 -1.00 -4.97 117.98 121.22 2fmr s PHE 8 Ca -0.15 0.92 -0.24 0.00 -1.04 0.00 0.00 56.93 56.41 2fmr s PHE 8 Cb -0.17 0.01 -0.07 0.00 -1.21 0.00 0.00 43.02 41.58 2fmr s PHE 8 CO 0.08 -0.31 1.28 0.96 -1.34 0.00 0.00 175.22 175.89 2fmr s ILE 9 N 1.92 2.62 -0.02 -4.49 -4.36 -1.26 -2.79 121.20 112.82 2fmr s ILE 9 Ca -0.03 0.50 0.08 0.00 -0.26 0.00 0.00 60.65 60.93 2fmr s ILE 9 Cb -0.11 -3.27 -0.02 0.00 1.25 0.00 0.00 42.46 40.31 2fmr s ILE 9 CO -0.09 0.03 -0.25 0.68 0.24 0.00 0.00 174.94 175.55 2fmr s VAL 10 N -1.36 1.98 0.62 8.37 -7.23 -1.26 -4.93 120.40 116.58 2fmr s VAL 10 Ca 0.63 -1.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 2fmr s VAL 10 Cb -0.36 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2fmr s VAL 10 CO 0.44 0.56 1.21 -0.60 -0.31 0.00 0.00 175.10 176.40 2fmr s ARG 11 N -0.54 2.82 0.12 4.82 3.52 -1.26 -4.88 118.95 123.56 2fmr s ARG 11 Ca 0.08 1.80 -0.22 0.00 -0.13 0.00 0.00 55.73 57.27 2fmr s ARG 11 Cb -0.10 -1.91 -0.07 0.00 -1.56 0.00 0.00 34.95 31.31 2fmr s ARG 11 CO -0.00 -1.32 1.71 1.49 -0.81 0.00 0.00 175.30 176.37 2fmr h GLU 12 N 0.65 -0.05 -0.16 5.12 4.57 -1.99 -2.31 114.58 120.41 2fmr h GLU 12 Ca -0.50 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 2fmr h GLU 12 Cb 1.30 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.86 2fmr h GLU 12 CO 0.54 -0.03 -0.07 0.22 -1.18 0.00 0.00 179.01 178.49 2fmr h ASP 13 N -0.05 -0.25 -1.94 1.04 1.82 -2.06 -2.84 116.42 112.15 2fmr h ASP 13 Ca 0.06 0.06 -0.79 0.00 -0.39 0.00 0.00 57.03 55.97 2fmr h ASP 13 Cb 0.14 0.14 -0.23 0.00 0.68 0.00 0.00 39.33 40.06 2fmr h ASP 13 CO -0.14 -0.10 1.44 0.18 -1.61 0.00 0.00 179.24 179.02 2fmr n LEU 14 N -5.22 7.54 -0.00 2.28 4.77 -1.02 -4.61 117.00 120.73 2fmr n LEU 14 Ca -0.03 -5.23 -0.01 0.00 -0.03 0.00 0.00 56.01 50.71 2fmr n LEU 14 Cb 0.14 -1.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2fmr n LEU 14 CO 0.24 2.04 -0.04 0.80 -1.33 0.00 0.00 177.39 179.10 2fmr n MET 15 N 0.53 0.03 0.00 3.23 1.56 -0.90 -4.09 117.12 117.48 2fmr n MET 15 Ca 0.51 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.95 2fmr n MET 15 Cb 0.26 -0.43 0.00 0.00 2.15 0.00 0.00 33.22 35.20 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 2.04 0.00 0.23 -5.12 0.00 -1.26 -5.06 105.19 96.02 2fmr n GLY 16 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2fmr n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fmr h LEU 17 N 0.00 -0.69 -2.45 0.99 -0.00 -1.89 -3.47 115.31 107.79 2fmr h LEU 17 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2fmr h LEU 17 Cb 0.00 0.24 0.03 0.00 -0.00 0.00 0.00 40.66 40.93 2fmr h LEU 17 CO 0.00 -0.30 -0.12 0.00 -0.00 0.00 0.00 178.44 178.02 2fmr n ALA 18 N -2.58 -2.37 -0.03 1.53 0.00 -1.26 -4.88 120.51 110.92 2fmr n ALA 18 Ca -0.05 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2fmr n ALA 18 Cb 0.21 -1.95 0.51 0.00 0.00 0.00 0.00 19.45 18.22 2fmr n ALA 18 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2fmr h ILE 19 N 0.19 0.94 0.00 0.00 1.08 -1.98 -3.45 117.51 114.29 2fmr h ILE 19 Ca -0.09 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2fmr h ILE 19 Cb 1.04 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2fmr h ILE 19 CO 0.29 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.43 2fmr n GLY 20 N -1.52 0.80 1.06 5.37 0.00 -1.26 -5.06 105.19 104.58 2fmr n GLY 20 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 2.12 -2.48 2.61 -2.24 -1.26 -5.00 114.28 108.02 2fmr n THR 21 Ca 0.00 -3.33 -0.05 0.00 -2.27 0.00 0.00 64.05 58.40 2fmr n THR 21 Cb 0.00 -0.34 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 2fmr n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2fmr n HIS 22 N -0.90 -2.63 -3.71 4.78 8.25 -1.26 -5.07 115.22 114.68 2fmr n HIS 22 Ca 0.24 1.08 -0.12 0.00 -0.26 0.00 0.00 57.72 58.66 2fmr n HIS 22 Cb 0.79 -3.41 -0.12 0.00 1.12 0.00 0.00 29.99 28.36 2fmr n HIS 22 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2fmr s GLY 23 N -2.07 -0.19 -0.41 -1.41 0.00 -1.26 -5.10 107.32 96.87 2fmr s GLY 23 Ca 0.16 1.15 0.04 0.00 0.00 0.00 0.00 44.72 46.07 2fmr s GLY 23 CO 0.57 1.48 0.40 0.00 0.00 0.00 0.00 173.10 175.55 2fmr s ALA 24 N 1.46 0.21 -0.12 3.20 0.00 -1.26 -4.99 121.76 120.26 2fmr s ALA 24 Ca -0.08 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 2fmr s ALA 24 Cb -0.10 -1.92 -0.26 0.00 0.00 0.00 0.00 23.12 20.84 2fmr s ALA 24 CO -0.10 -2.09 0.59 -2.95 0.00 0.00 0.00 175.76 171.22 2fmr h ASN 25 N 6.10 0.26 0.19 0.00 7.08 -1.97 -3.33 115.58 123.90 2fmr h ASN 25 Ca 0.15 -0.84 -0.01 0.00 -3.08 0.00 0.00 56.30 52.52 2fmr h ASN 25 Cb 0.99 -0.08 -0.00 0.00 -2.08 0.00 0.00 38.32 37.15 2fmr h ASN 25 CO 0.24 1.44 -0.15 0.40 -2.08 0.00 0.00 177.43 177.29 2fmr h ILE 26 N -0.57 0.00 -0.99 6.14 5.03 -1.93 -2.91 117.51 122.29 2fmr h ILE 26 Ca -0.23 0.00 0.35 0.00 -0.12 0.00 0.00 64.86 64.86 2fmr h ILE 26 Cb 1.52 0.00 -0.18 0.00 -3.03 0.00 0.00 36.82 35.13 2fmr h ILE 26 CO 0.02 0.00 0.35 -0.61 -0.68 0.00 0.00 178.15 177.22 2fmr h GLN 27 N -0.33 0.04 -0.01 2.37 4.15 -1.99 0.22 115.11 119.55 2fmr h GLN 27 Ca -0.02 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.43 2fmr h GLN 27 Cb 0.27 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2fmr h GLN 27 CO 0.00 0.02 -0.28 1.96 -1.93 0.00 0.00 178.83 178.61 2fmr h GLN 28 N 0.04 -0.40 -0.37 1.69 1.08 -1.63 0.27 115.11 115.80 2fmr h GLN 28 Ca 0.74 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 58.03 2fmr h GLN 28 Cb 1.80 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 29.30 2fmr h GLN 28 CO -0.81 -0.27 0.25 0.00 -0.95 0.00 0.00 178.83 177.06 2fmr h ALA 29 N 0.39 2.03 0.00 3.87 0.00 -0.48 0.72 119.26 125.79 2fmr h ALA 29 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2fmr h ALA 29 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2fmr h ALA 29 CO -0.25 -0.11 -0.42 -0.09 0.00 0.00 0.00 179.25 178.39 2fmr h ARG 30 N 0.24 0.00 0.00 0.00 2.43 -0.44 -3.07 114.38 113.55 2fmr h ARG 30 Ca 0.16 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2fmr h ARG 30 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2fmr h ARG 30 CO -0.03 0.42 -0.52 0.87 -1.51 0.00 0.00 179.97 179.20 2fmr h LYS 31 N 0.00 0.00 -6.69 0.20 1.57 0.19 -3.46 116.57 108.38 2fmr h LYS 31 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2fmr h LYS 31 Cb 1.11 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.51 2fmr h LYS 31 CO 0.05 0.52 0.66 0.28 -0.57 0.00 0.00 179.45 180.39 2fmr n VAL 32 N -3.39 1.26 -2.46 0.50 0.31 -0.91 -4.90 118.33 108.73 2fmr n VAL 32 Ca 0.01 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2fmr n VAL 32 Cb 0.66 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 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 -0.84 3.50 0.00 5.55 0.04 -1.26 -3.56 135.00 138.42 2fmr s PRO 33 Ca 0.64 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2fmr s PRO 33 Cb -0.59 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2fmr s PRO 33 CO 0.53 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.30 2fmr n GLY 34 N 5.09 3.90 3.56 0.56 0.00 -1.26 -4.83 105.19 112.20 2fmr n GLY 34 Ca 0.12 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.09 1.61 0.31 -1.23 -1.78 118.33 117.33 2fmr n VAL 35 Ca 0.00 -0.47 0.20 0.00 -0.01 0.00 0.00 64.34 64.06 2fmr n VAL 35 Cb 0.00 -1.90 0.75 0.00 -0.91 0.00 0.00 33.84 31.79 2fmr n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fmr h THR 36 N 7.61 0.44 0.00 2.52 1.03 -1.22 -3.45 112.91 119.84 2fmr h THR 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2fmr h THR 36 Cb 1.01 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2fmr h THR 36 CO 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.54 2fmr n ALA 37 N -2.39 0.00 -2.70 0.00 0.00 -1.04 -5.05 120.51 109.32 2fmr n ALA 37 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2fmr n ALA 37 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 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 0.02 0.00 2.07 -1.26 -1.47 121.20 119.26 2fmr s ILE 38 Ca 0.00 -1.29 -0.07 0.00 -1.41 0.00 0.00 60.65 57.88 2fmr s ILE 38 Cb 0.00 -0.91 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 2fmr s ILE 38 CO 0.00 -0.44 0.13 -0.62 -1.91 0.00 0.00 174.94 172.10 2fmr s ASP 39 N -1.89 0.07 0.05 4.50 -1.08 -0.21 -5.00 116.67 113.12 2fmr s ASP 39 Ca -0.04 -0.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.76 2fmr s ASP 39 Cb -0.07 0.22 -0.03 0.00 -1.46 0.00 0.00 42.92 41.57 2fmr s ASP 39 CO 0.00 -0.42 -0.26 -0.22 0.52 0.00 0.00 175.17 174.78 2fmr s LEU 40 N -1.66 2.18 -0.24 -1.34 0.20 -1.26 -1.41 118.68 115.15 2fmr s LEU 40 Ca -0.11 -0.60 0.03 0.00 0.69 0.00 0.00 54.13 54.13 2fmr s LEU 40 Cb -0.05 -1.29 0.05 0.00 -0.43 0.00 0.00 46.19 44.47 2fmr s LEU 40 CO -0.01 0.25 -0.13 -1.81 -0.29 0.00 0.00 176.35 174.37 2fmr s ASP 41 N -1.29 4.20 -0.21 3.68 1.11 0.22 -4.94 116.67 119.43 2fmr s ASP 41 Ca 0.12 -1.26 0.12 0.00 0.18 0.00 0.00 52.55 51.71 2fmr s ASP 41 Cb -0.10 -1.53 -0.21 0.00 1.07 0.00 0.00 42.92 42.14 2fmr s ASP 41 CO 0.02 -0.15 -0.04 -0.62 1.18 0.00 0.00 175.17 175.56 2fmr n GLU 42 N 4.47 0.74 -0.35 8.23 1.02 -1.26 0.12 120.64 133.61 2fmr n GLU 42 Ca -0.15 0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2fmr n GLU 42 Cb 0.44 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.00 0.91 0.00 1.62 1.82 -1.96 -2.55 116.42 116.25 2fmr h ASP 43 Ca -0.54 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2fmr h ASP 43 Cb 2.08 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 41.94 2fmr h ASP 43 CO -0.01 0.51 -0.06 1.07 -1.61 0.00 0.00 179.24 179.13 2fmr n THR 44 N -4.61 1.82 -3.24 2.25 5.66 -1.26 -5.05 114.28 109.85 2fmr n THR 44 Ca 0.17 -2.23 -0.13 0.00 -3.05 0.00 0.00 64.05 58.80 2fmr n THR 44 Cb 0.30 -0.20 0.01 0.00 -1.55 0.00 0.00 70.33 68.89 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 -1.30 0.01 -0.15 0.00 2.01 0.32 -4.49 115.64 112.05 2fmr s THR 46 Ca 0.14 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2fmr s THR 46 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2fmr s THR 46 CO 0.40 -0.03 -0.19 0.12 -0.69 0.00 0.00 174.62 174.23 2fmr s PHE 47 N -2.54 2.71 -0.13 4.92 2.19 -1.12 0.69 117.98 124.71 2fmr s PHE 47 Ca -0.05 -1.21 0.02 0.00 0.33 0.00 0.00 56.93 56.03 2fmr s PHE 47 Cb -0.01 -1.84 0.00 0.00 -1.31 0.00 0.00 43.02 39.86 2fmr s PHE 47 CO -0.02 -0.55 -0.20 -1.01 1.83 0.00 0.00 175.22 175.26 2fmr s HIS 48 N 0.80 2.67 -0.05 10.12 3.76 -0.50 -2.36 115.29 129.73 2fmr s HIS 48 Ca -0.07 -1.10 0.06 0.00 -0.15 0.00 0.00 55.06 53.81 2fmr s HIS 48 Cb -0.15 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 2fmr s HIS 48 CO -0.01 -0.47 -0.25 0.42 -0.85 0.00 0.00 174.74 173.59 2fmr s ILE 49 N 0.59 2.00 -0.18 0.60 -1.09 -0.98 -1.04 121.20 121.09 2fmr s ILE 49 Ca -0.12 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.27 2fmr s ILE 49 Cb -0.16 -1.69 0.02 0.00 -1.58 0.00 0.00 42.46 39.05 2fmr s ILE 49 CO 0.03 0.56 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.80 2fmr s TYR 50 N -0.24 2.78 0.00 3.97 2.02 -0.54 -1.90 117.35 123.44 2fmr s TYR 50 Ca -0.01 -1.55 -0.03 0.00 -0.37 0.00 0.00 57.07 55.11 2fmr s TYR 50 Cb -0.13 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2fmr s TYR 50 CO 0.03 -0.76 0.05 0.20 -1.57 0.00 0.00 175.55 173.49 2fmr s GLY 51 N 1.23 0.09 0.11 0.71 0.00 0.36 -0.66 107.32 109.16 2fmr s GLY 51 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 44.72 44.49 2fmr s GLY 51 CO -0.11 -0.29 1.25 0.83 0.00 0.00 0.00 173.10 174.78 2fmr h GLU 52 N 5.01 0.38 -5.51 2.90 5.08 -1.57 -1.17 114.58 119.69 2fmr h GLU 52 Ca -0.29 -0.47 -0.59 0.00 -1.00 0.00 0.00 59.36 57.01 2fmr h GLU 52 Cb 1.20 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.50 2fmr h GLU 52 CO 0.43 1.15 -0.17 -0.51 -1.00 0.00 0.00 179.01 178.90 2fmr s ASP 53 N -7.12 6.51 0.50 1.42 1.11 -1.26 -4.60 116.67 113.23 2fmr s ASP 53 Ca -0.05 0.60 0.16 0.00 0.18 0.00 0.00 52.55 53.44 2fmr s ASP 53 Cb 0.08 -2.25 1.22 0.00 1.07 0.00 0.00 42.92 43.04 2fmr s ASP 53 CO 0.87 -0.06 2.09 -0.61 1.18 0.00 0.00 175.17 178.65 2fmr h GLN 54 N 7.18 0.11 0.00 8.23 4.15 -1.96 0.15 115.11 132.97 2fmr h GLN 54 Ca -0.37 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 58.92 2fmr h GLN 54 Cb 1.16 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 2fmr h GLN 54 CO 0.73 0.07 -0.56 0.22 -1.93 0.00 0.00 178.83 177.37 2fmr h ASP 55 N 0.11 0.00 0.12 -0.69 1.82 -1.97 -2.98 116.42 112.84 2fmr h ASP 55 Ca 0.09 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.58 2fmr h ASP 55 Cb 0.24 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2fmr h ASP 55 CO -0.01 0.56 -0.54 0.00 -1.61 0.00 0.00 179.24 177.64 2fmr h ALA 56 N 1.44 0.79 -0.07 -0.78 0.00 -1.30 -2.05 119.26 117.29 2fmr h ALA 56 Ca -0.01 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 2fmr h ALA 56 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2fmr h ALA 56 CO 0.07 0.69 -0.66 0.28 0.00 0.00 0.00 179.25 179.63 2fmr h VAL 57 N 0.35 1.39 0.18 0.00 2.07 -1.43 -1.92 116.25 116.90 2fmr h VAL 57 Ca 0.01 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 2fmr h VAL 57 Cb 1.05 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2fmr h VAL 57 CO 0.10 0.62 -0.09 0.11 0.02 0.00 0.00 177.57 178.33 2fmr h LYS 58 N 0.21 -0.23 -0.28 1.57 1.57 -1.41 -1.14 116.57 116.85 2fmr h LYS 58 Ca -0.01 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2fmr h LYS 58 Cb 1.19 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 2fmr h LYS 58 CO 0.11 0.17 0.17 -0.22 -0.57 0.00 0.00 179.45 179.11 2fmr h LYS 59 N -0.76 0.37 -0.24 3.15 1.63 -1.44 -1.38 116.57 117.90 2fmr h LYS 59 Ca -0.02 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 2fmr h LYS 59 Cb 0.51 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2fmr h LYS 59 CO 0.04 0.26 -0.48 0.00 -3.45 0.00 0.00 179.45 175.82 2fmr h ALA 60 N 1.81 0.39 -0.45 5.00 0.00 -1.32 -2.75 119.26 121.93 2fmr h ALA 60 Ca 0.10 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2fmr h ALA 60 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2fmr h ALA 60 CO -0.02 0.55 0.04 -0.09 0.00 0.00 0.00 179.25 179.73 2fmr h ARG 61 N 0.49 0.71 0.00 0.00 1.12 -0.50 -1.72 114.38 114.48 2fmr h ARG 61 Ca 0.01 -0.16 -0.05 0.00 -1.11 0.00 0.00 59.98 58.66 2fmr h ARG 61 Cb 1.08 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 2fmr h ARG 61 CO 0.11 0.70 -0.25 1.03 -3.11 0.00 0.00 179.97 178.45 2fmr h SER 62 N 0.68 0.00 1.07 -3.80 0.87 -1.22 -0.88 113.55 110.26 2fmr h SER 62 Ca 0.14 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 2fmr h SER 62 Cb 0.36 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2fmr h SER 62 CO 0.01 0.25 -0.98 -0.26 -0.53 0.00 0.00 176.83 175.31 2fmr h PHE 63 N 0.00 0.00 0.07 2.24 0.04 -1.07 -3.31 116.94 114.91 2fmr h PHE 63 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 2fmr h PHE 63 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 2fmr h PHE 63 CO 0.00 0.68 -1.42 -0.07 -0.60 0.00 0.00 178.31 176.91 2fmr h LEU 64 N 0.00 0.24 0.00 1.54 3.38 -1.05 -3.44 115.31 115.98 2fmr h LEU 64 Ca -0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2fmr h LEU 64 Cb 1.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2fmr h LEU 64 CO 0.08 1.27 0.00 -0.62 0.09 0.00 0.00 178.44 179.26