#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bbx s LYS 2 N 0.00 3.82 -0.37 -0.52 2.20 -1.26 -5.06 119.74 118.55 3bbx s LYS 2 Ca 0.00 -0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 54.99 3bbx s LYS 2 Cb 0.00 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3bbx s LYS 2 CO 0.00 -0.08 0.77 0.96 -0.36 0.00 0.00 175.35 176.64 3bbx s ILE 3 N 1.37 4.74 0.57 5.43 -0.00 -1.26 -5.03 121.20 127.02 3bbx s ILE 3 Ca 0.06 0.81 -0.20 0.00 -0.00 0.00 0.00 60.65 61.32 3bbx s ILE 3 Cb -0.15 -4.20 -0.04 0.00 -0.00 0.00 0.00 42.46 38.07 3bbx s ILE 3 CO 0.05 -0.44 1.22 -1.59 -0.00 0.00 0.00 174.94 174.18 3bbx s LYS 4 N 3.07 3.11 -0.87 0.37 -2.85 -1.26 -4.87 119.74 116.44 3bbx s LYS 4 Ca 0.30 1.87 -0.25 0.00 -1.00 0.00 0.00 55.97 56.89 3bbx s LYS 4 Cb -0.13 -2.04 0.03 0.00 -2.06 0.00 0.00 37.83 33.63 3bbx s LYS 4 CO 0.17 -1.10 1.40 0.99 0.10 0.00 0.00 175.35 176.91 3bbx s THR 5 N -1.55 3.79 0.58 3.79 2.01 -1.26 -4.84 115.64 118.16 3bbx s THR 5 Ca 0.75 -0.17 0.34 0.00 0.31 0.00 0.00 61.69 62.91 3bbx s THR 5 Cb -0.31 -4.92 0.49 0.00 0.01 0.00 0.00 72.50 67.76 3bbx s THR 5 CO 0.35 -1.83 1.56 0.58 -0.69 0.00 0.00 174.62 174.59 3bbx h VAL 6 N 6.47 0.14 0.20 3.82 2.07 -2.02 -2.67 116.25 124.26 3bbx h VAL 6 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3bbx h VAL 6 Cb 1.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3bbx h VAL 6 CO 1.35 0.00 -0.10 -0.09 0.02 0.00 0.00 177.57 178.75 3bbx h ARG 7 N 0.00 -0.27 -1.04 1.57 9.65 -2.02 -2.96 114.38 119.32 3bbx h ARG 7 Ca 0.54 0.02 0.30 0.00 -1.10 0.00 0.00 59.98 59.74 3bbx h ARG 7 Cb 2.65 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 31.24 3bbx h ARG 7 CO -0.01 -0.18 1.09 0.78 2.80 0.00 0.00 179.97 184.46 3bbx h GLY 8 N -0.29 0.00 0.00 2.80 0.00 -1.90 -0.59 103.07 103.08 3bbx h GLY 8 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3bbx h GLY 8 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 3bbx n ALA 9 N -2.36 -0.32 -0.27 3.60 0.00 -1.12 -0.10 120.51 119.94 3bbx n ALA 9 Ca 0.23 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.00 3bbx n ALA 9 Cb 1.41 0.07 0.70 0.00 0.00 0.00 0.00 19.45 21.63 3bbx n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bbx h ALA 10 N -1.88 3.00 0.20 0.00 0.00 -1.15 0.23 119.26 119.66 3bbx h ALA 10 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3bbx h ALA 10 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bbx h ALA 10 CO 0.00 -1.51 -0.09 -0.22 0.00 0.00 0.00 179.25 177.43 3bbx h LYS 11 N 0.00 -0.26 0.00 0.00 3.64 -0.88 -3.43 116.57 115.65 3bbx h LYS 11 Ca 0.53 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3bbx h LYS 11 Cb 2.40 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 34.27 3bbx h LYS 11 CO -0.01 -0.17 -0.24 0.54 -2.27 0.00 0.00 179.45 177.30 3bbx n ARG 12 N -4.01 0.67 -1.63 1.90 1.74 0.86 -4.64 116.66 111.55 3bbx n ARG 12 Ca -0.03 -1.55 -0.49 0.00 -0.77 0.00 0.00 57.85 55.01 3bbx n ARG 12 Cb 0.10 -0.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3bbx n ARG 12 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 3bbx n PHE 13 N -0.55 1.83 -2.71 -1.55 -1.74 0.77 -4.25 117.46 109.26 3bbx n PHE 13 Ca 0.06 0.49 0.00 0.00 -0.56 0.00 0.00 57.45 57.44 3bbx n PHE 13 Cb 0.63 -2.41 0.00 0.00 1.52 0.00 0.00 39.48 39.21 3bbx n PHE 13 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 3bbx n LYS 14 N 2.69 -1.58 0.00 3.97 4.76 -1.26 -4.88 118.16 121.86 3bbx n LYS 14 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3bbx n LYS 14 Cb 0.25 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 3bbx n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3bbx n LYS 15 N -0.04 0.00 0.00 1.97 4.81 -1.26 -4.45 118.16 119.19 3bbx n LYS 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3bbx n LYS 15 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3bbx n LYS 15 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3bbx n THR 16 N 0.00 0.00 0.23 3.15 -2.24 -0.70 -4.67 114.28 110.05 3bbx n THR 16 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3bbx n THR 16 Cb 0.00 -0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.24 3bbx n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bbx n GLY 17 N 0.15 -0.12 2.74 3.38 0.00 -1.26 -3.39 105.19 106.70 3bbx n GLY 17 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 3bbx n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bbx n LYS 18 N -0.84 0.54 0.00 1.61 4.76 -1.26 -5.13 118.16 117.84 3bbx n LYS 18 Ca 0.02 -1.69 0.00 0.00 -2.87 0.00 0.00 58.31 53.77 3bbx n LYS 18 Cb 0.01 -1.19 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 3bbx n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bbx n GLY 19 N 2.34 2.39 4.33 0.72 0.00 -1.22 -4.76 105.19 109.00 3bbx n GLY 19 Ca 0.13 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3bbx n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bbx n GLY 20 N 0.00 -0.40 2.31 -0.02 0.00 -1.26 -1.73 105.19 104.09 3bbx n GLY 20 Ca 0.00 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3bbx n GLY 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3bbx n PHE 21 N -4.29 1.06 -2.30 1.61 1.16 -1.26 -4.57 117.46 108.88 3bbx n PHE 21 Ca 0.05 0.71 -0.41 0.00 -1.87 0.00 0.00 57.45 55.93 3bbx n PHE 21 Cb 0.50 -1.38 -0.03 0.00 -1.61 0.00 0.00 39.48 36.96 3bbx n PHE 21 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3bbx s LYS 22 N 1.79 3.11 0.00 3.97 -0.14 -1.26 -4.58 119.74 122.63 3bbx s LYS 22 Ca 0.65 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 3bbx s LYS 22 Cb -0.92 -4.20 0.00 0.00 -1.68 0.00 0.00 37.83 31.02 3bbx s LYS 22 CO 0.50 -2.17 0.00 0.72 -0.76 0.00 0.00 175.35 173.64 3bbx n HIS 23 N 10.40 0.00 -4.00 3.18 8.25 -0.88 -4.66 115.22 127.52 3bbx n HIS 23 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.62 3bbx n HIS 23 Cb 0.50 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.62 3bbx n HIS 23 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3bbx n LYS 24 N 0.00 0.17 0.00 -0.41 2.85 -1.22 -4.65 118.16 114.89 3bbx n LYS 24 Ca 0.00 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 3bbx n LYS 24 Cb 0.00 1.19 0.00 0.00 -0.65 0.00 0.00 35.03 35.57 3bbx n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3bbx n HIS 25 N -0.86 0.00 -1.35 5.58 8.25 -1.26 -4.08 115.22 121.50 3bbx n HIS 25 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3bbx n HIS 25 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3bbx n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bbx n ALA 26 N -3.00 -1.80 -2.00 -1.41 0.00 -1.26 -5.08 120.51 105.96 3bbx n ALA 26 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3bbx n ALA 26 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3bbx n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bbx n ASN 27 N -1.71 0.00 0.00 0.00 2.85 -1.26 -4.90 115.26 110.24 3bbx n ASN 27 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3bbx n ASN 27 Cb 0.21 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.25 3bbx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3bbx n LEU 28 N 0.00 0.00 -4.53 1.20 -0.00 -1.26 -4.87 117.00 107.54 3bbx n LEU 28 Ca 0.00 0.31 -0.43 0.00 -0.00 0.00 0.00 56.01 55.89 3bbx n LEU 28 Cb 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 43.42 43.10 3bbx n LEU 28 CO 0.00 -0.30 0.34 -2.11 -0.00 0.00 0.00 177.39 175.32 3bbx n ARG 29 N -1.31 0.94 -2.15 1.47 -4.01 -1.26 -1.83 116.66 108.50 3bbx n ARG 29 Ca 0.00 0.33 -0.15 0.00 -1.04 0.00 0.00 57.85 57.00 3bbx n ARG 29 Cb 0.01 -1.67 -0.02 0.00 -3.04 0.00 0.00 32.46 27.74 3bbx n ARG 29 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3bbx n HIS 30 N -0.29 -0.59 0.00 2.89 8.25 -1.26 -4.74 115.22 119.48 3bbx n HIS 30 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3bbx n HIS 30 Cb 0.35 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.44 3bbx n HIS 30 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3bbx n ILE 31 N -3.80 0.00 -3.94 1.59 5.41 -1.05 -5.06 119.36 112.51 3bbx n ILE 31 Ca -0.17 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.28 3bbx n ILE 31 Cb 0.61 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.40 3bbx n ILE 31 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3bbx s LEU 32 N -1.03 4.21 -0.11 1.39 1.43 -0.76 -4.82 118.68 118.99 3bbx s LEU 32 Ca 0.00 -2.56 0.14 0.00 -1.03 0.00 0.00 54.13 50.68 3bbx s LEU 32 Cb 0.00 -1.53 0.30 0.00 0.03 0.00 0.00 46.19 44.98 3bbx s LEU 32 CO 0.00 -0.30 1.15 0.35 0.23 0.00 0.00 176.35 177.77 3bbx n THR 33 N 3.70 1.36 0.84 5.49 -2.24 -1.26 -4.53 114.28 117.64 3bbx n THR 33 Ca 0.05 -1.96 0.09 0.00 -2.27 0.00 0.00 64.05 59.95 3bbx n THR 33 Cb 0.37 0.08 0.27 0.00 -2.10 0.00 0.00 70.33 68.94 3bbx n THR 33 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3bbx n LYS 34 N -0.79 1.94 -4.70 -0.78 4.81 -1.26 -4.81 118.16 112.57 3bbx n LYS 34 Ca 0.12 -1.44 -0.24 0.00 -0.87 0.00 0.00 58.31 55.89 3bbx n LYS 34 Cb 0.74 -1.38 -0.16 0.00 0.02 0.00 0.00 35.03 34.26 3bbx n LYS 34 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3bbx s LYS 35 N -1.58 1.50 0.30 1.64 -0.14 -1.26 -5.07 119.74 115.13 3bbx s LYS 35 Ca 0.31 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.41 3bbx s LYS 35 Cb 0.17 -1.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 3bbx s LYS 35 CO 0.23 0.21 0.00 0.00 -0.76 0.00 0.00 175.35 175.04 3bbx n ALA 36 N 3.16 -1.47 0.03 5.17 0.00 -1.26 -4.98 120.51 121.15 3bbx n ALA 36 Ca -0.18 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3bbx n ALA 36 Cb 0.53 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3bbx n ALA 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bbx n THR 37 N -1.58 0.73 0.21 0.00 -2.24 -1.26 -4.78 114.28 105.37 3bbx n THR 37 Ca 0.00 0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.87 3bbx n THR 37 Cb 0.14 -1.35 -0.07 0.00 -2.10 0.00 0.00 70.33 66.95 3bbx n THR 37 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3bbx h LYS 38 N 0.00 -0.56 0.00 -0.78 1.63 -2.04 -2.40 116.57 112.42 3bbx h LYS 38 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3bbx h LYS 38 Cb 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 3bbx h LYS 38 CO 0.00 -0.37 0.00 0.54 -3.45 0.00 0.00 179.45 176.17 3bbx n ARG 39 N -5.37 0.21 -3.72 1.90 1.74 -1.26 -4.02 116.66 106.14 3bbx n ARG 39 Ca -0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 3bbx n ARG 39 Cb 0.28 -1.11 -0.13 0.00 -1.02 0.00 0.00 32.46 30.47 3bbx n ARG 39 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3bbx s LYS 40 N -2.00 1.15 -0.03 5.56 2.20 -0.90 -5.06 119.74 120.66 3bbx s LYS 40 Ca 0.02 -1.79 0.01 0.00 -0.36 0.00 0.00 55.97 53.85 3bbx s LYS 40 Cb 0.01 -2.27 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 3bbx s LYS 40 CO 0.02 -1.12 -0.01 0.50 -0.36 0.00 0.00 175.35 174.37 3bbx s ARG 41 N 0.65 0.45 0.50 4.03 3.00 -1.26 -4.89 118.95 121.44 3bbx s ARG 41 Ca 0.16 0.01 0.25 0.00 -1.00 0.00 0.00 55.73 55.15 3bbx s ARG 41 Cb -0.23 -0.57 1.33 0.00 0.00 0.00 0.00 34.95 35.49 3bbx s ARG 41 CO -0.05 -0.10 2.04 1.25 0.00 0.00 0.00 175.30 178.44 3bbx h HIS 42 N 7.15 0.00 0.00 5.12 -0.00 -1.97 -3.45 115.15 122.00 3bbx h HIS 42 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3bbx h HIS 42 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 3bbx h HIS 42 CO 0.50 0.14 0.00 1.28 -0.00 0.00 0.00 177.93 179.85 3bbx n LEU 43 N -3.75 0.00 0.00 0.26 7.99 -1.26 -4.59 117.00 115.64 3bbx n LEU 43 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.94 3bbx n LEU 43 Cb 0.25 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.58 3bbx n LEU 43 CO 0.31 0.00 0.39 0.54 -1.51 0.00 0.00 177.39 177.13 3bbx n ARG 44 N 0.00 0.55 -0.94 3.23 3.00 -1.26 -5.16 116.66 116.08 3bbx n ARG 44 Ca 0.00 -1.14 -0.10 0.00 -0.01 0.00 0.00 57.85 56.60 3bbx n ARG 44 Cb 0.00 1.46 0.07 0.00 0.00 0.00 0.00 32.46 33.99 3bbx n ARG 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3bbx n PRO 45 N -0.37 -0.19 -3.61 5.56 -0.04 -1.26 -4.52 135.00 130.58 3bbx n PRO 45 Ca -0.04 -0.86 -0.06 0.00 -0.04 0.00 0.00 63.50 62.50 3bbx n PRO 45 Cb 0.35 -0.42 -0.02 0.00 -0.04 0.00 0.00 33.50 33.38 3bbx n PRO 45 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3bbx s LYS 46 N -3.84 0.98 0.00 0.54 2.20 -1.26 -4.90 119.74 113.46 3bbx s LYS 46 Ca 0.27 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 3bbx s LYS 46 Cb -0.01 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3bbx s LYS 46 CO 0.19 -0.44 0.00 0.00 -0.36 0.00 0.00 175.35 174.73 3bbx n ALA 47 N -0.34 0.00 -3.03 3.13 0.00 -1.26 -2.07 120.51 116.93 3bbx n ALA 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3bbx n ALA 47 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3bbx n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3bbx n MET 48 N 0.00 0.04 0.11 0.00 2.81 -1.26 -4.90 117.12 113.92 3bbx n MET 48 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3bbx n MET 48 Cb 0.00 0.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.61 3bbx n MET 48 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3bbx n VAL 49 N -0.02 0.09 0.18 2.03 0.31 -1.26 -4.37 118.33 115.28 3bbx n VAL 49 Ca -0.00 0.03 0.16 0.00 -0.01 0.00 0.00 64.34 64.52 3bbx n VAL 49 Cb 0.02 -0.50 0.78 0.00 -0.91 0.00 0.00 33.84 33.24 3bbx n VAL 49 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3bbx h SER 50 N 0.00 0.00 0.00 4.52 0.02 -2.05 -2.93 113.55 113.10 3bbx h SER 50 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3bbx h SER 50 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3bbx h SER 50 CO 0.00 0.00 -1.68 1.17 -1.14 0.00 0.00 176.83 175.18 3bbx n LYS 51 N -3.99 0.68 -0.27 3.45 4.81 -1.26 -4.69 118.16 116.89 3bbx n LYS 51 Ca 0.02 -0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.32 3bbx n LYS 51 Cb 0.34 -1.33 0.02 0.00 0.02 0.00 0.00 35.03 34.08 3bbx n LYS 51 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3bbx h GLY 52 N 2.55 -0.01 -0.83 3.14 0.00 -1.71 -1.44 103.07 104.76 3bbx h GLY 52 Ca -0.06 0.46 0.27 0.00 0.00 0.00 0.00 47.33 48.00 3bbx h GLY 52 CO 0.00 -0.21 0.10 -0.55 0.00 0.00 0.00 176.54 175.89 3bbx h ASP 53 N -0.10 -0.32 -0.31 0.19 3.32 -1.84 0.27 116.42 117.63 3bbx h ASP 53 Ca 0.28 0.26 -0.05 0.00 0.02 0.00 0.00 57.03 57.54 3bbx h ASP 53 Cb 0.57 0.42 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3bbx h ASP 53 CO -0.80 -0.32 0.02 -0.07 -1.72 0.00 0.00 179.24 176.35 3bbx h LEU 54 N 0.05 0.53 0.00 1.55 3.38 -1.59 -2.18 115.31 117.05 3bbx h LEU 54 Ca 0.60 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3bbx h LEU 54 Cb 1.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3bbx h LEU 54 CO -0.85 0.69 0.00 0.61 0.09 0.00 0.00 178.44 178.99 3bbx n GLY 55 N -0.38 -0.49 3.65 0.83 0.00 0.83 -4.61 105.19 105.03 3bbx n GLY 55 Ca -0.02 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3bbx n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bbx s LEU 56 N -2.20 4.11 0.00 0.99 2.96 -0.51 -4.49 118.68 119.55 3bbx s LEU 56 Ca 0.16 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 3bbx s LEU 56 Cb 0.08 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3bbx s LEU 56 CO 0.16 0.00 0.00 0.55 -1.32 0.00 0.00 176.35 175.74 3bbx n VAL 57 N 4.42 0.00 -0.74 1.68 3.14 -1.26 -4.97 118.33 120.60 3bbx n VAL 57 Ca -0.13 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.95 3bbx n VAL 57 Cb 0.52 0.00 0.27 0.00 -1.06 0.00 0.00 33.84 33.56 3bbx n VAL 57 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 3bbx s ILE 58 N 0.00 1.40 0.24 1.55 -4.36 -1.26 -4.81 121.20 113.96 3bbx s ILE 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 3bbx s ILE 58 Cb 0.00 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.42 3bbx s ILE 58 CO 0.00 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.18 3bbx n ALA 59 N -5.21 -2.71 0.00 2.27 0.00 -1.26 -5.01 120.51 108.59 3bbx n ALA 59 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3bbx n ALA 59 Cb 0.60 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3bbx n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bbx s LEU 61 N 0.00 4.44 -0.05 0.00 1.02 -1.26 -4.97 118.68 117.86 3bbx s LEU 61 Ca 0.00 1.14 -0.30 0.00 0.02 0.00 0.00 54.13 54.99 3bbx s LEU 61 Cb 0.00 -2.86 -0.08 0.00 0.02 0.00 0.00 46.19 43.27 3bbx s LEU 61 CO 0.00 0.17 2.04 -2.65 0.02 0.00 0.00 176.35 175.94 3bbx n PRO 62 N 2.40 2.53 0.00 1.29 -0.02 -1.26 -4.87 135.00 135.08 3bbx n PRO 62 Ca -0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3bbx n PRO 62 Cb 0.51 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 3bbx n PRO 62 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bbx n TYR 63 N 8.69 0.00 -1.83 6.00 4.01 -1.26 -5.23 117.16 127.55 3bbx n TYR 63 Ca 0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 3bbx n TYR 63 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 3bbx n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40