#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s LYS 2 N 0.00 4.67 0.06 0.54 1.02 -1.26 -4.98 119.74 119.78 2qba s LYS 2 Ca 0.00 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 2qba s LYS 2 Cb 0.00 -3.36 -0.08 0.00 -0.52 0.00 0.00 37.83 33.86 2qba s LYS 2 CO 0.00 0.16 1.74 0.42 -0.92 0.00 0.00 175.35 176.76 2qba s ILE 3 N 0.03 3.00 0.19 2.17 1.01 -1.26 -4.97 121.20 121.37 2qba s ILE 3 Ca 0.48 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.18 2qba s ILE 3 Cb -0.25 -3.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.92 2qba s ILE 3 CO 0.31 -0.01 0.92 -0.54 0.00 0.00 0.00 174.94 175.61 2qba s LYS 4 N 3.15 4.77 -0.00 2.79 1.02 -1.26 -4.92 119.74 125.29 2qba s LYS 4 Ca 0.78 1.42 -0.24 0.00 0.02 0.00 0.00 55.97 57.95 2qba s LYS 4 Cb -0.41 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2qba s LYS 4 CO 0.34 0.44 0.72 0.95 -0.92 0.00 0.00 175.35 176.88 2qba s THR 5 N -0.82 4.87 -0.92 2.17 -4.23 -1.26 -4.88 115.64 110.57 2qba s THR 5 Ca 0.42 1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 62.19 2qba s THR 5 Cb -0.25 -4.06 -0.15 0.00 1.34 0.00 0.00 72.50 69.38 2qba s THR 5 CO 0.30 0.33 2.22 -0.69 -0.54 0.00 0.00 174.62 176.25 2qba s VAL 6 N 0.22 3.12 0.07 2.29 1.01 0.80 -4.81 120.40 123.10 2qba s VAL 6 Ca 0.37 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 2qba s VAL 6 Cb -0.19 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2qba s VAL 6 CO 0.21 -0.24 0.93 0.54 0.00 0.00 0.00 175.10 176.54 2qba n ARG 7 N 8.61 -0.18 -0.33 2.72 3.00 -1.26 0.09 116.66 129.31 2qba n ARG 7 Ca 0.44 0.92 0.26 0.00 -0.01 0.00 0.00 57.85 59.46 2qba n ARG 7 Cb 0.45 -1.37 0.50 0.00 0.00 0.00 0.00 32.46 32.05 2qba n ARG 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2qba h GLY 8 N 0.00 2.12 1.49 -0.13 0.00 -1.97 0.43 103.07 105.01 2qba h GLY 8 Ca 0.07 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 2qba h GLY 8 CO -0.39 -0.58 -0.60 0.00 0.00 0.00 0.00 176.54 174.97 2qba h ALA 9 N 1.89 0.65 0.00 3.60 0.00 -0.70 -2.94 119.26 121.76 2qba h ALA 9 Ca 0.76 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qba h ALA 9 Cb 1.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2qba h ALA 9 CO -0.65 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2qba n ALA 10 N -2.52 2.35 -0.08 0.00 0.00 0.15 -2.52 120.51 117.88 2qba n ALA 10 Ca -0.04 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.39 2qba n ALA 10 Cb 0.64 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 19.04 2qba n ALA 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qba n LYS 11 N -0.64 2.86 0.00 0.00 5.02 -1.00 -4.54 118.16 119.86 2qba n LYS 11 Ca 0.06 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 2qba n LYS 11 Cb 0.03 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2qba n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qba n ARG 12 N 0.04 2.73 -4.53 1.97 1.74 -1.05 -5.09 116.66 112.46 2qba n ARG 12 Ca 0.06 -0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.89 2qba n ARG 12 Cb 0.34 -0.20 -0.10 0.00 -1.02 0.00 0.00 32.46 31.48 2qba n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qba s PHE 13 N -0.39 2.13 -0.30 -1.55 0.08 -1.18 -4.35 117.98 112.42 2qba s PHE 13 Ca 0.00 -0.89 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 2qba s PHE 13 Cb 0.00 -1.47 0.19 0.00 -0.57 0.00 0.00 43.02 41.17 2qba s PHE 13 CO 0.00 0.15 0.91 0.21 -0.10 0.00 0.00 175.22 176.39 2qba s LYS 14 N -3.82 0.27 0.24 0.44 2.36 -1.11 -4.90 119.74 113.23 2qba s LYS 14 Ca 0.33 0.29 -0.27 0.00 -2.55 0.00 0.00 55.97 53.77 2qba s LYS 14 Cb 0.08 0.14 -0.16 0.00 -1.05 0.00 0.00 37.83 36.84 2qba s LYS 14 CO 0.15 -0.49 0.53 1.17 1.55 0.00 0.00 175.35 178.27 2qba n LYS 15 N 5.23 0.18 0.00 4.03 4.81 -1.26 -4.30 118.16 126.86 2qba n LYS 15 Ca 0.07 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2qba n LYS 15 Cb 0.56 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2qba n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qba n THR 16 N -0.12 0.00 0.09 3.15 -2.24 0.37 -4.87 114.28 110.66 2qba n THR 16 Ca 0.16 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.14 2qba n THR 16 Cb 0.28 -0.39 0.68 0.00 -2.10 0.00 0.00 70.33 68.81 2qba n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qba h GLY 17 N 0.00 0.00 0.00 3.38 0.00 -1.94 -3.43 103.07 101.08 2qba h GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qba h GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.12 2qba n LYS 18 N -3.46 0.00 -0.33 4.80 -0.00 -1.26 -5.03 118.16 112.88 2qba n LYS 18 Ca 0.08 0.00 0.28 0.00 -0.00 0.00 0.00 58.31 58.67 2qba n LYS 18 Cb 0.75 0.00 0.53 0.00 -0.00 0.00 0.00 35.03 36.31 2qba n LYS 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qba h GLY 19 N 0.00 2.15 -2.02 2.58 0.00 -2.00 -3.43 103.07 100.35 2qba h GLY 19 Ca 0.00 -0.20 -0.50 0.00 0.00 0.00 0.00 47.33 46.63 2qba h GLY 19 CO 0.00 -0.63 -1.63 0.61 0.00 0.00 0.00 176.54 174.89 2qba n GLY 20 N -1.28 -2.98 0.00 4.60 0.00 -1.26 -4.65 105.19 99.61 2qba n GLY 20 Ca 0.35 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2qba n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qba n PHE 21 N -3.62 0.00 -1.04 1.61 3.01 -1.26 -0.48 117.46 115.68 2qba n PHE 21 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qba n PHE 21 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 2qba n PHE 21 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2qba n LYS 22 N -1.96 -2.72 0.00 -1.08 4.81 -1.26 -2.74 118.16 113.21 2qba n LYS 22 Ca 0.00 2.11 0.00 0.00 -0.87 0.00 0.00 58.31 59.55 2qba n LYS 22 Cb 0.25 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.66 2qba n LYS 22 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2qba n HIS 23 N -2.23 0.00 -5.03 5.64 1.44 0.18 -3.61 115.22 111.60 2qba n HIS 23 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 2qba n HIS 23 Cb 0.32 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.29 2qba n HIS 23 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2qba s LYS 24 N 1.34 2.34 0.51 -1.40 2.36 -1.26 -2.71 119.74 120.92 2qba s LYS 24 Ca 0.00 -0.80 -0.20 0.00 -2.55 0.00 0.00 55.97 52.42 2qba s LYS 24 Cb 0.00 -2.24 -0.07 0.00 -1.05 0.00 0.00 37.83 34.46 2qba s LYS 24 CO 0.00 0.60 1.08 -1.01 1.55 0.00 0.00 175.35 177.57 2qba s HIS 25 N -0.70 2.87 0.14 4.03 3.76 -1.26 -5.02 115.29 119.11 2qba s HIS 25 Ca 0.11 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.56 2qba s HIS 25 Cb -0.10 -3.17 0.03 0.00 1.11 0.00 0.00 32.58 30.45 2qba s HIS 25 CO 0.00 -1.15 0.19 0.00 -0.85 0.00 0.00 174.74 172.94 2qba n ALA 26 N -1.06 -0.19 -3.86 -1.40 0.00 -1.26 -4.52 120.51 108.21 2qba n ALA 26 Ca 0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2qba n ALA 26 Cb 0.52 -0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2qba n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qba n ASN 27 N -3.11 -2.97 -1.01 0.00 0.23 -1.26 -4.82 115.26 102.32 2qba n ASN 27 Ca 0.02 -0.87 -0.03 0.00 -0.53 0.00 0.00 54.58 53.18 2qba n ASN 27 Cb 0.09 -1.11 -0.03 0.00 -2.08 0.00 0.00 39.78 36.65 2qba n ASN 27 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2qba n LEU 28 N -3.44 -0.28 0.00 -4.53 7.94 -1.26 -4.90 117.00 110.53 2qba n LEU 28 Ca -0.11 -1.77 0.00 0.00 -1.11 0.00 0.00 56.01 53.02 2qba n LEU 28 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2qba n LEU 28 CO 0.51 1.08 0.00 -2.11 -1.11 0.00 0.00 177.39 175.76 2qba n ARG 29 N 0.12 0.00 -3.88 1.96 1.85 -1.26 -5.11 116.66 110.34 2qba n ARG 29 Ca -0.13 -0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.60 2qba n ARG 29 Cb 0.78 -0.18 -0.12 0.00 -1.05 0.00 0.00 32.46 31.89 2qba n ARG 29 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2qba s HIS 30 N 0.00 0.02 0.00 2.89 2.46 -1.26 -4.99 115.29 114.41 2qba s HIS 30 Ca 0.00 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.49 2qba s HIS 30 Cb 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 2qba s HIS 30 CO 0.00 -0.14 0.00 1.51 -2.47 0.00 0.00 174.74 173.64 2qba n ILE 31 N 2.33 -1.71 0.00 0.89 3.06 -1.26 -4.94 119.36 117.72 2qba n ILE 31 Ca -0.17 0.42 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 2qba n ILE 31 Cb 0.57 -2.60 0.00 0.00 0.54 0.00 0.00 39.64 38.15 2qba n ILE 31 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2qba n LEU 32 N 1.23 0.00 -0.34 9.51 4.77 -1.26 -4.74 117.00 126.17 2qba n LEU 32 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2qba n LEU 32 Cb 0.42 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.87 2qba n LEU 32 CO 0.00 0.00 1.20 0.00 -1.33 0.00 0.00 177.39 177.26 2qba h THR 33 N 0.00 0.68 -0.79 -5.08 1.03 -2.03 -1.00 112.91 105.72 2qba h THR 33 Ca 0.00 -0.24 -0.52 0.00 -0.01 0.00 0.00 66.41 65.65 2qba h THR 33 Cb 0.26 -0.07 -0.23 0.00 -1.07 0.00 0.00 68.15 67.03 2qba h THR 33 CO 0.00 0.13 0.66 2.29 -0.01 0.00 0.00 175.52 178.59 2qba n LYS 34 N -4.73 2.27 -4.63 0.00 2.85 -1.26 -4.90 118.16 107.76 2qba n LYS 34 Ca 0.23 -2.57 -0.22 0.00 -1.05 0.00 0.00 58.31 54.70 2qba n LYS 34 Cb 0.62 -2.01 -0.15 0.00 -0.65 0.00 0.00 35.03 32.84 2qba n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2qba s LYS 35 N -2.96 1.14 0.04 -1.58 1.02 -0.38 -5.10 119.74 111.92 2qba s LYS 35 Ca 0.50 -0.49 -0.32 0.00 0.02 0.00 0.00 55.97 55.69 2qba s LYS 35 Cb 0.40 -1.09 -0.11 0.00 -0.52 0.00 0.00 37.83 36.51 2qba s LYS 35 CO 0.01 0.28 1.89 0.00 -0.92 0.00 0.00 175.35 176.61 2qba n ALA 36 N 2.79 1.56 -0.33 5.17 0.00 -1.26 -4.83 120.51 123.62 2qba n ALA 36 Ca -0.15 0.28 0.21 0.00 0.00 0.00 0.00 53.44 53.78 2qba n ALA 36 Cb 0.55 -2.59 0.46 0.00 0.00 0.00 0.00 19.45 17.88 2qba n ALA 36 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2qba h THR 37 N 5.17 0.55 0.37 0.00 1.35 -1.96 -0.72 112.91 117.67 2qba h THR 37 Ca -0.48 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 2qba h THR 37 Cb 1.24 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2qba h THR 37 CO 0.94 0.09 -0.25 0.50 -0.25 0.00 0.00 175.52 176.54 2qba h LYS 38 N 0.47 -0.57 -0.97 4.72 3.64 -1.96 0.39 116.57 122.29 2qba h LYS 38 Ca 0.60 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 60.12 2qba h LYS 38 Cb 1.37 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 33.20 2qba h LYS 38 CO -0.34 -0.38 -0.51 -2.13 -2.27 0.00 0.00 179.45 173.82 2qba n ARG 39 N -3.88 -0.37 -0.06 1.90 0.63 -0.34 -0.45 116.66 114.08 2qba n ARG 39 Ca -0.07 1.47 -0.10 0.00 -0.92 0.00 0.00 57.85 58.23 2qba n ARG 39 Cb 0.25 -2.17 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 2qba n ARG 39 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2qba h LYS 40 N 0.00 0.33 0.00 -0.14 1.57 -1.31 -0.08 116.57 116.93 2qba h LYS 40 Ca 0.21 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2qba h LYS 40 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2qba h LYS 40 CO -0.93 0.27 0.00 -2.13 -0.57 0.00 0.00 179.45 176.10 2qba n ARG 41 N -4.88 0.00 -0.01 3.15 0.63 0.14 0.60 116.66 116.29 2qba n ARG 41 Ca -0.03 0.46 0.11 0.00 -0.92 0.00 0.00 57.85 57.47 2qba n ARG 41 Cb 0.06 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.30 2qba n ARG 41 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2qba n HIS 42 N -1.46 0.03 1.23 -0.14 8.25 0.40 -4.23 115.22 119.30 2qba n HIS 42 Ca 0.00 0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 2qba n HIS 42 Cb 0.00 -0.49 0.30 0.00 1.12 0.00 0.00 29.99 30.92 2qba n HIS 42 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qba n LEU 43 N -2.24 1.78 0.02 2.41 4.77 0.20 -4.37 117.00 119.56 2qba n LEU 43 Ca -0.04 -0.58 -0.13 0.00 -0.03 0.00 0.00 56.01 55.23 2qba n LEU 43 Cb 0.56 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2qba n LEU 43 CO 0.46 0.31 0.57 0.03 -1.33 0.00 0.00 177.39 177.43 2qba h ARG 44 N 2.54 -0.08 -7.11 3.23 3.08 -1.60 -3.37 114.38 111.06 2qba h ARG 44 Ca 0.00 0.01 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2qba h ARG 44 Cb 0.65 0.02 0.13 0.00 0.08 0.00 0.00 29.97 30.85 2qba h ARG 44 CO 0.00 0.40 0.47 -1.25 -1.07 0.00 0.00 179.97 178.51 2qba s PRO 45 N -4.06 2.78 1.00 0.04 0.04 -1.26 -4.89 135.00 128.65 2qba s PRO 45 Ca -0.15 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2qba s PRO 45 Cb 0.01 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.84 2qba s PRO 45 CO 0.62 -1.36 1.12 0.15 0.04 0.00 0.00 177.00 177.57 2qba s LYS 46 N -3.45 0.39 -0.25 4.56 -0.14 -1.26 -4.70 119.74 114.89 2qba s LYS 46 Ca 0.78 0.29 -0.22 0.00 -1.36 0.00 0.00 55.97 55.46 2qba s LYS 46 Cb -0.31 -1.75 0.07 0.00 -1.68 0.00 0.00 37.83 34.15 2qba s LYS 46 CO 0.36 -2.71 0.67 0.00 -0.76 0.00 0.00 175.35 172.91 2qba s ALA 47 N -3.12 -1.67 0.83 5.17 0.00 -1.10 -4.93 121.76 116.94 2qba s ALA 47 Ca 0.66 1.94 -0.12 0.00 0.00 0.00 0.00 51.96 54.44 2qba s ALA 47 Cb -0.15 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 21.93 2qba s ALA 47 CO 0.56 -0.32 1.17 -1.64 0.00 0.00 0.00 175.76 175.53 2qba s MET 48 N 0.50 1.55 0.40 0.00 -1.94 -1.26 0.47 119.30 119.01 2qba s MET 48 Ca -0.01 1.62 -0.25 0.00 -1.71 0.00 0.00 55.69 55.34 2qba s MET 48 Cb -0.05 -1.78 -0.09 0.00 2.01 0.00 0.00 34.83 34.93 2qba s MET 48 CO -0.01 -2.25 1.11 0.14 -0.01 0.00 0.00 175.02 173.99 2qba s VAL 49 N -2.39 3.43 -0.48 -6.03 -7.23 -1.26 -4.75 120.40 101.69 2qba s VAL 49 Ca 0.70 1.16 0.00 0.00 -1.81 0.00 0.00 61.98 62.02 2qba s VAL 49 Cb -0.25 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2qba s VAL 49 CO 0.53 0.06 0.26 -1.54 -0.31 0.00 0.00 175.10 174.11 2qba n SER 50 N 0.03 0.00 0.00 4.85 3.41 -1.26 -4.67 113.62 115.98 2qba n SER 50 Ca 0.05 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2qba n SER 50 Cb 0.48 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2qba n SER 50 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qba n LYS 51 N -0.76 0.00 0.03 4.33 3.00 -1.26 -4.61 118.16 118.88 2qba n LYS 51 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 2qba n LYS 51 Cb 0.09 -3.15 -0.14 0.00 0.00 0.00 0.00 35.03 31.83 2qba n LYS 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2qba h GLY 52 N 0.00 0.35 -1.35 3.14 0.00 -2.02 -3.35 103.07 99.84 2qba h GLY 52 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2qba h GLY 52 CO 0.00 0.78 -0.08 1.22 0.00 0.00 0.00 176.54 178.46 2qba n ASP 53 N -3.53 2.42 -0.29 0.19 8.00 -1.26 -4.39 116.55 117.69 2qba n ASP 53 Ca -0.30 -1.76 0.10 0.00 0.71 0.00 0.00 54.79 53.54 2qba n ASP 53 Cb 1.05 0.08 0.23 0.00 -0.02 0.00 0.00 41.12 42.46 2qba n ASP 53 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2qba h LEU 54 N 3.67 -0.24 -1.36 0.64 5.85 -1.91 0.48 115.31 122.43 2qba h LEU 54 Ca 0.00 0.21 0.32 0.00 0.84 0.00 0.00 57.88 59.25 2qba h LEU 54 Cb 0.83 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 42.09 2qba h LEU 54 CO 0.00 -0.20 0.72 1.23 -0.34 0.00 0.00 178.44 179.84 2qba h GLY 55 N 0.13 1.27 0.55 3.75 0.00 -1.83 0.14 103.07 107.07 2qba h GLY 55 Ca 0.50 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 2qba h GLY 55 CO -0.71 -0.23 -0.11 1.41 0.00 0.00 0.00 176.54 176.90 2qba h LEU 56 N 0.30 0.18 -0.59 3.11 4.07 -0.37 -3.24 115.31 118.77 2qba h LEU 56 Ca 0.66 -0.58 0.06 0.00 0.08 0.00 0.00 57.88 58.11 2qba h LEU 56 Cb 1.82 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 43.45 2qba h LEU 56 CO -0.34 0.73 0.29 0.58 -1.08 0.00 0.00 178.44 178.61 2qba h VAL 57 N -0.36 0.90 0.00 1.22 2.07 -0.65 -0.95 116.25 118.49 2qba h VAL 57 Ca -0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2qba h VAL 57 Cb 0.71 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2qba h VAL 57 CO 0.02 0.10 -0.05 -0.38 0.02 0.00 0.00 177.57 177.28 2qba n ILE 58 N -4.89 2.07 0.00 4.57 5.41 0.14 -2.36 119.36 124.30 2qba n ILE 58 Ca 0.07 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2qba n ILE 58 Cb 0.19 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2qba n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qba n ALA 59 N 1.65 0.81 0.64 -1.39 0.00 -0.39 -4.79 120.51 117.03 2qba n ALA 59 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2qba n ALA 59 Cb 0.54 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.16 2qba n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n LEU 61 N -2.00 3.18 -0.00 0.00 4.77 -1.07 -0.14 117.00 121.74 2qba n LEU 61 Ca 0.04 -5.39 0.22 0.00 -0.03 0.00 0.00 56.01 50.85 2qba n LEU 61 Cb 0.42 -0.25 0.72 0.00 -2.33 0.00 0.00 43.42 41.98 2qba n LEU 61 CO 0.36 2.22 1.20 -0.65 -1.33 0.00 0.00 177.39 179.19 2qba h PRO 62 N 3.48 0.00 -0.54 3.23 0.11 -1.87 0.38 132.00 136.79 2qba h PRO 62 Ca 0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 2qba h PRO 62 Cb 0.67 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.72 2qba h PRO 62 CO 0.73 0.00 0.09 0.66 -0.21 0.00 0.00 178.00 179.28 2qba n TYR 63 N -4.13 1.86 0.00 0.65 4.01 -1.26 -5.08 117.16 113.21 2qba n TYR 63 Ca 0.11 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 2qba n TYR 63 Cb 0.68 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2qba n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40