#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bje s LEU 2 N 0.00 2.39 0.71 0.99 1.02 -1.26 -5.06 118.68 117.47 1bje s LEU 2 Ca 0.00 -0.81 -0.11 0.00 0.02 0.00 0.00 54.13 53.23 1bje s LEU 2 Cb 0.00 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.18 1bje s LEU 2 CO 0.00 0.08 1.06 -0.94 0.02 0.00 0.00 176.35 176.57 1bje s SER 3 N -2.43 5.30 0.09 2.29 1.04 -1.26 -4.86 113.70 113.87 1bje s SER 3 Ca 0.16 1.53 0.26 0.00 0.48 0.00 0.00 55.95 58.38 1bje s SER 3 Cb -0.08 -2.40 0.78 0.00 0.10 0.00 0.00 66.02 64.42 1bje s SER 3 CO 0.07 -1.48 1.65 -0.90 0.98 0.00 0.00 173.24 173.57 1bje n ASP 4 N -3.15 0.50 -0.20 7.02 5.68 -1.26 -1.04 116.55 124.10 1bje n ASP 4 Ca 0.07 0.31 -0.09 0.00 -0.50 0.00 0.00 54.79 54.58 1bje n ASP 4 Cb 0.54 -0.31 0.02 0.00 -1.14 0.00 0.00 41.12 40.23 1bje n ASP 4 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1bje h GLY 5 N 4.74 1.05 0.84 6.12 0.00 -1.99 0.16 103.07 113.99 1bje h GLY 5 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 1bje h GLY 5 CO 0.00 0.69 -0.02 0.83 0.00 0.00 0.00 176.54 178.04 1bje h GLU 6 N 0.86 0.43 -0.79 4.80 5.08 -1.87 -1.87 114.58 121.23 1bje h GLU 6 Ca 0.16 -0.15 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1bje h GLU 6 Cb 0.50 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1bje h GLU 6 CO 0.02 0.63 0.44 -1.49 -1.00 0.00 0.00 179.01 177.61 1bje h TRP 7 N 0.19 0.79 -0.52 4.33 -0.00 -0.65 -0.45 115.95 119.65 1bje h TRP 7 Ca 0.06 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 59.09 1bje h TRP 7 Cb 0.45 -0.24 -0.10 0.00 -0.00 0.00 0.00 29.16 29.27 1bje h TRP 7 CO 0.04 0.31 -0.16 0.37 -0.00 0.00 0.00 178.44 179.01 1bje h GLN 8 N 0.74 -0.03 -0.58 0.49 4.15 -0.37 0.12 115.11 119.62 1bje h GLN 8 Ca 0.38 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.78 1bje h GLN 8 Cb 0.36 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1bje h GLN 8 CO -0.25 -0.02 0.28 1.96 -1.93 0.00 0.00 178.83 178.87 1bje h GLN 9 N -0.03 0.83 -0.42 1.69 1.08 -0.29 -0.04 115.11 117.93 1bje h GLN 9 Ca 0.25 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1bje h GLN 9 Cb 0.41 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1bje h GLN 9 CO -0.55 0.67 0.25 0.28 -0.95 0.00 0.00 178.83 178.53 1bje h VAL 10 N 0.78 1.14 0.00 -0.54 2.07 -0.05 -1.61 116.25 118.04 1bje h VAL 10 Ca 0.20 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1bje h VAL 10 Cb 0.11 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1bje h VAL 10 CO -0.03 0.14 -0.16 -0.07 0.02 0.00 0.00 177.57 177.47 1bje h LEU 11 N 0.56 0.00 0.64 2.57 3.38 -0.63 -0.01 115.31 121.81 1bje h LEU 11 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1bje h LEU 11 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1bje h LEU 11 CO -0.03 0.16 -0.32 -1.13 0.09 0.00 0.00 178.44 177.21 1bje h ASN 12 N 0.00 -0.77 -0.45 -0.43 -1.24 -0.07 -2.67 115.58 109.94 1bje h ASN 12 Ca -0.00 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 1bje h ASN 12 Cb 0.90 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.14 1bje h ASN 12 CO 0.02 -0.54 0.27 0.58 -1.29 0.00 0.00 177.43 176.48 1bje h VAL 13 N -0.88 1.14 0.00 2.57 2.07 -1.32 -2.01 116.25 117.82 1bje h VAL 13 Ca -0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1bje h VAL 13 Cb 0.68 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1bje h VAL 13 CO 0.13 0.15 0.00 -0.25 0.02 0.00 0.00 177.57 177.62 1bje h TRP 14 N 0.65 0.00 0.00 1.57 2.91 -0.73 -2.66 115.95 117.69 1bje h TRP 14 Ca 0.17 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 1bje h TRP 14 Cb -0.01 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1bje h TRP 14 CO 0.00 0.00 -0.17 0.78 -1.03 0.00 0.00 178.44 178.02 1bje h GLY 15 N 2.49 0.00 0.76 2.65 0.00 -1.03 -1.05 103.07 106.89 1bje h GLY 15 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1bje h GLY 15 CO 0.00 0.00 -0.18 0.50 0.00 0.00 0.00 176.54 176.86 1bje h LYS 16 N 0.00 0.39 -0.62 4.80 1.57 -1.61 -3.24 116.57 117.86 1bje h LYS 16 Ca -0.00 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1bje h LYS 16 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1bje h LYS 16 CO 0.02 0.79 0.08 0.28 -0.57 0.00 0.00 179.45 180.05 1bje h VAL 17 N 0.02 1.26 0.00 0.50 2.07 -1.53 -3.12 116.25 115.45 1bje h VAL 17 Ca 0.02 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1bje h VAL 17 Cb 0.73 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1bje h VAL 17 CO 0.04 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 177.40 1bje n GLU 18 N -4.25 0.20 0.17 1.57 1.02 -0.44 -1.45 120.64 117.46 1bje n GLU 18 Ca 0.03 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 1bje n GLU 18 Cb 0.30 -1.89 0.34 0.00 -0.02 0.00 0.00 31.44 30.17 1bje n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bje h ALA 19 N 2.26 1.00 0.00 0.62 0.00 -1.56 -3.37 119.26 118.21 1bje h ALA 19 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1bje h ALA 19 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 1bje h ALA 19 CO 0.00 0.00 -0.45 -3.47 0.00 0.00 0.00 179.25 175.33 1bje n ASP 20 N -2.68 -2.73 -0.29 0.00 2.03 -0.96 -5.02 116.55 106.89 1bje n ASP 20 Ca 0.04 -3.21 -0.03 0.00 0.52 0.00 0.00 54.79 52.10 1bje n ASP 20 Cb 0.44 1.76 0.12 0.00 -0.72 0.00 0.00 41.12 42.72 1bje n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1bje h ILE 21 N 2.85 1.25 -0.26 5.18 2.10 -1.42 -1.31 117.51 125.90 1bje h ILE 21 Ca -0.15 -0.64 -0.12 0.00 1.08 0.00 0.00 64.86 65.03 1bje h ILE 21 Cb 1.05 0.13 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1bje h ILE 21 CO 0.27 0.28 -0.30 0.00 -1.08 0.00 0.00 178.15 177.32 1bje h ALA 22 N 1.31 0.38 -0.33 0.18 0.00 -1.88 -1.64 119.26 117.28 1bje h ALA 22 Ca 0.29 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1bje h ALA 22 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1bje h ALA 22 CO -0.04 0.41 -0.22 0.78 0.00 0.00 0.00 179.25 180.17 1bje h GLY 23 N 0.38 0.80 0.96 0.00 0.00 -1.87 -2.10 103.07 101.23 1bje h GLY 23 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1bje h GLY 23 CO 0.07 0.69 0.19 0.45 0.00 0.00 0.00 176.54 177.94 1bje h HIS 24 N 0.50 0.58 -0.56 5.60 -0.00 -1.27 -2.03 115.15 117.97 1bje h HIS 24 Ca 0.07 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 1bje h HIS 24 Cb 0.77 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.98 1bje h HIS 24 CO 0.06 0.48 0.15 0.78 -0.00 0.00 0.00 177.93 179.40 1bje h GLY 25 N 0.51 0.92 0.87 2.45 0.00 -1.31 -0.48 103.07 106.03 1bje h GLY 25 Ca 0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1bje h GLY 25 CO -0.02 0.49 0.04 -1.61 0.00 0.00 0.00 176.54 175.44 1bje h GLN 26 N 0.83 0.42 -0.22 4.80 4.15 -1.07 -2.08 115.11 121.94 1bje h GLN 26 Ca 0.18 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 1bje h GLN 26 Cb 0.28 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1bje h GLN 26 CO -0.00 0.55 -0.42 0.93 -1.93 0.00 0.00 178.83 177.95 1bje h GLU 27 N 0.23 0.54 0.80 1.69 5.08 -1.25 -0.96 114.58 120.70 1bje h GLU 27 Ca 0.08 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1bje h GLU 27 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1bje h GLU 27 CO 0.01 0.86 -0.44 0.28 -1.00 0.00 0.00 179.01 178.72 1bje h VAL 28 N 0.44 0.11 -0.35 3.13 2.07 -0.99 0.67 116.25 121.33 1bje h VAL 28 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 1bje h VAL 28 Cb 0.92 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1bje h VAL 28 CO 0.08 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.85 1bje h LEU 29 N -1.14 0.06 -0.24 2.57 3.38 -1.32 0.33 115.31 118.95 1bje h LEU 29 Ca -0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1bje h LEU 29 Cb 0.90 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1bje h LEU 29 CO 0.14 0.04 -0.46 0.40 0.09 0.00 0.00 178.44 178.64 1bje h ILE 30 N 0.07 1.30 -0.60 1.22 2.04 -0.58 0.11 117.51 121.07 1bje h ILE 30 Ca 0.16 -1.67 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 1bje h ILE 30 Cb 0.56 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1bje h ILE 30 CO -0.01 0.53 0.00 -0.09 0.00 0.00 0.00 178.15 178.58 1bje h ARG 31 N 0.47 1.05 0.91 2.37 9.65 0.21 -0.33 114.38 128.72 1bje h ARG 31 Ca 0.01 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.51 1bje h ARG 31 Cb 1.07 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1bje h ARG 31 CO 0.10 1.03 -0.44 1.25 2.80 0.00 0.00 179.97 184.72 1bje h LEU 32 N 0.95 -1.04 -1.12 3.80 5.85 -0.34 -2.37 115.31 121.05 1bje h LEU 32 Ca 0.17 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1bje h LEU 32 Cb 0.55 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1bje h LEU 32 CO 0.03 -0.73 0.60 -0.26 -0.34 0.00 0.00 178.44 177.74 1bje h PHE 33 N -1.25 1.06 0.11 1.25 0.04 -0.75 -1.55 116.94 115.85 1bje h PHE 33 Ca -0.13 0.03 -0.29 0.00 2.80 0.00 0.00 57.97 60.38 1bje h PHE 33 Cb 0.94 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1bje h PHE 33 CO -0.01 0.51 -1.46 1.79 -0.60 0.00 0.00 178.31 178.54 1bje h THR 34 N 1.00 1.23 -0.14 -1.55 1.35 -1.06 -3.09 112.91 110.66 1bje h THR 34 Ca 0.43 -2.88 -0.11 0.00 -0.55 0.00 0.00 66.41 63.30 1bje h THR 34 Cb 0.33 2.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1bje h THR 34 CO -0.18 0.83 -0.35 1.23 -0.25 0.00 0.00 175.52 176.79 1bje h GLY 35 N 1.82 0.53 -6.32 5.82 0.00 -1.32 -3.39 103.07 100.21 1bje h GLY 35 Ca -0.21 -0.66 -0.60 0.00 0.00 0.00 0.00 47.33 45.86 1bje h GLY 35 CO 0.16 0.59 -0.69 1.42 0.00 0.00 0.00 176.54 178.03 1bje n HIS 36 N -4.34 2.76 -0.11 5.60 8.25 -0.59 -4.97 115.22 121.82 1bje n HIS 36 Ca -0.07 -4.05 0.27 0.00 -0.26 0.00 0.00 57.72 53.60 1bje n HIS 36 Cb 0.51 -0.50 0.66 0.00 1.12 0.00 0.00 29.99 31.77 1bje n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bje h PRO 37 N 4.41 0.00 0.00 -0.41 0.13 -1.74 -0.32 132.00 134.08 1bje h PRO 37 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1bje h PRO 37 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1bje h PRO 37 CO 0.74 0.00 -0.09 1.05 -0.23 0.00 0.00 178.00 179.47 1bje h GLU 38 N 0.00 0.00 -0.41 0.86 9.09 -1.93 -2.32 114.58 119.87 1bje h GLU 38 Ca 0.38 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.70 1bje h GLU 38 Cb 1.95 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.04 1bje h GLU 38 CO -0.00 0.09 -0.12 1.79 0.05 0.00 0.00 179.01 180.82 1bje h THR 39 N 0.00 1.25 -0.90 -1.06 1.35 -1.39 -2.89 112.91 109.28 1bje h THR 39 Ca -0.00 -1.15 0.17 0.00 -0.55 0.00 0.00 66.41 64.88 1bje h THR 39 Cb 0.27 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 67.68 1bje h THR 39 CO 0.01 0.39 0.58 0.25 -0.25 0.00 0.00 175.52 176.50 1bje h LEU 40 N 0.66 0.56 -2.70 3.87 5.85 -1.58 -0.83 115.31 121.14 1bje h LEU 40 Ca 0.11 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1bje h LEU 40 Cb 0.58 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1bje h LEU 40 CO 0.04 0.25 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.05 1bje h GLU 41 N 0.58 0.00 0.00 1.25 4.39 -1.63 -0.99 114.58 118.18 1bje h GLU 41 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1bje h GLU 41 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1bje h GLU 41 CO -0.21 0.01 0.00 0.87 -1.16 0.00 0.00 179.01 178.52 1bje h LYS 42 N 0.00 0.00 -4.78 2.33 1.79 -1.28 -3.41 116.57 111.22 1bje h LYS 42 Ca -0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 1bje h LYS 42 Cb 0.08 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.47 1bje h LYS 42 CO 0.00 0.00 -0.62 -0.06 -1.08 0.00 0.00 179.45 177.70 1bje s PHE 43 N -3.16 3.17 0.13 -1.35 0.40 -0.37 -4.98 117.98 111.82 1bje s PHE 43 Ca 0.09 -1.04 0.19 0.00 -0.60 0.00 0.00 56.93 55.57 1bje s PHE 43 Cb 0.11 -2.26 0.67 0.00 0.51 0.00 0.00 43.02 42.05 1bje s PHE 43 CO 0.57 -0.60 1.73 -0.44 0.70 0.00 0.00 175.22 177.17 1bje h ASP 44 N 8.24 0.00 0.16 1.36 3.32 -1.81 -2.77 116.42 124.92 1bje h ASP 44 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1bje h ASP 44 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1bje h ASP 44 CO 0.61 0.36 -0.11 2.29 -1.72 0.00 0.00 179.24 180.66 1bje n LYS 45 N -3.48 1.10 0.00 3.56 2.85 -1.26 -3.78 118.16 117.15 1bje n LYS 45 Ca 0.00 -0.55 0.00 0.00 -1.05 0.00 0.00 58.31 56.71 1bje n LYS 45 Cb 0.51 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1bje n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1bje n PHE 46 N -0.47 0.00 -0.33 5.58 3.72 -1.15 -4.74 117.46 120.06 1bje n PHE 46 Ca 0.16 -0.20 0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1bje n PHE 46 Cb 0.31 -0.02 0.22 0.00 -0.94 0.00 0.00 39.48 39.05 1bje n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1bje h LYS 47 N 0.00 1.06 -0.43 -1.08 1.57 -1.59 -2.30 116.57 113.81 1bje h LYS 47 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1bje h LYS 47 Cb 0.40 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1bje h LYS 47 CO 0.00 0.70 0.01 1.12 -0.57 0.00 0.00 179.45 180.71 1bje h HIS 48 N 1.09 0.72 -2.01 -1.35 2.07 -1.85 -3.43 115.15 110.38 1bje h HIS 48 Ca 0.41 -0.09 -0.63 0.00 -2.85 0.00 0.00 60.37 57.22 1bje h HIS 48 Cb 0.21 -0.20 0.05 0.00 2.57 0.00 0.00 27.41 30.04 1bje h HIS 48 CO -0.00 0.67 0.69 1.28 -3.07 0.00 0.00 177.93 177.50 1bje n LEU 49 N -4.24 2.56 -0.00 6.12 4.32 -0.87 -4.86 117.00 120.02 1bje n LEU 49 Ca 0.02 1.09 -0.00 0.00 -0.02 0.00 0.00 56.01 57.10 1bje n LEU 49 Cb 0.27 -1.33 -0.00 0.00 -1.62 0.00 0.00 43.42 40.74 1bje n LEU 49 CO 0.40 -0.56 -0.52 0.29 -1.22 0.00 0.00 177.39 175.79 1bje n LYS 50 N 3.36 0.01 -3.96 3.23 5.02 -1.26 -5.08 118.16 119.48 1bje n LYS 50 Ca 0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 1bje n LYS 50 Cb 0.25 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.28 1bje n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bje s THR 51 N -2.01 2.23 -0.57 -0.18 -4.23 -1.26 -5.04 115.64 104.58 1bje s THR 51 Ca -0.01 -1.58 0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1bje s THR 51 Cb 0.00 -2.81 0.31 0.00 1.34 0.00 0.00 72.50 71.34 1bje s THR 51 CO 0.01 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.73 1bje h GLU 52 N 1.19 0.00 -0.20 3.99 4.81 -2.00 -3.08 114.58 119.30 1bje h GLU 52 Ca -0.41 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.74 1bje h GLU 52 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1bje h GLU 52 CO 0.64 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.73 1bje h ALA 53 N 2.29 0.30 -0.89 2.92 0.00 -1.97 -0.89 119.26 121.01 1bje h ALA 53 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1bje h ALA 53 Cb 0.80 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1bje h ALA 53 CO 0.00 0.22 0.58 0.93 0.00 0.00 0.00 179.25 180.98 1bje h GLU 54 N 0.16 1.13 -0.36 0.00 5.08 -1.95 0.40 114.58 119.04 1bje h GLU 54 Ca 0.03 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1bje h GLU 54 Cb 0.73 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1bje h GLU 54 CO 0.05 0.75 -0.27 0.52 -1.00 0.00 0.00 179.01 179.06 1bje h MET 55 N 1.16 0.81 -0.79 2.33 2.86 -1.48 -0.36 114.93 119.47 1bje h MET 55 Ca 0.34 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1bje h MET 55 Cb -0.07 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1bje h MET 55 CO -0.09 1.03 0.34 0.87 1.06 0.00 0.00 176.91 180.12 1bje h LYS 56 N 0.60 1.15 0.00 1.72 1.79 -0.74 -2.71 116.57 118.38 1bje h LYS 56 Ca 0.07 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1bje h LYS 56 Cb 0.84 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1bje h LYS 56 CO 0.07 0.91 -0.21 0.00 -1.08 0.00 0.00 179.45 179.13 1bje n ALA 57 N -2.43 2.54 -2.66 3.86 0.00 0.14 -4.87 120.51 117.09 1bje n ALA 57 Ca 0.07 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1bje n ALA 57 Cb 0.16 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1bje n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bje s SER 58 N -4.22 7.09 0.28 0.00 0.15 -0.15 -4.93 113.70 111.92 1bje s SER 58 Ca 0.10 1.37 0.14 0.00 0.70 0.00 0.00 55.95 58.26 1bje s SER 58 Cb 0.14 -2.53 0.22 0.00 -1.71 0.00 0.00 66.02 62.14 1bje s SER 58 CO 0.63 -0.62 1.51 -0.33 1.20 0.00 0.00 173.24 175.64 1bje h GLU 59 N 7.42 0.00 0.00 5.44 4.39 -1.89 -3.14 114.58 126.80 1bje h GLU 59 Ca -0.21 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1bje h GLU 59 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1bje h GLU 59 CO 0.95 0.56 -0.40 0.22 -1.16 0.00 0.00 179.01 179.18 1bje h ASP 60 N 0.00 0.00 0.22 1.42 3.58 -1.95 -2.17 116.42 117.52 1bje h ASP 60 Ca -0.01 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.17 1bje h ASP 60 Cb 1.29 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.36 1bje h ASP 60 CO 0.07 0.40 -1.12 0.25 -2.88 0.00 0.00 179.24 175.96 1bje h LEU 61 N 0.00 0.74 -0.94 2.28 6.46 -1.87 0.59 115.31 122.56 1bje h LEU 61 Ca -0.00 -0.65 0.01 0.00 -0.12 0.00 0.00 57.88 57.12 1bje h LEU 61 Cb 0.88 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.53 1bje h LEU 61 CO 0.05 1.46 0.62 0.11 -0.62 0.00 0.00 178.44 180.06 1bje h LYS 62 N 0.26 1.24 0.23 1.25 1.57 -1.48 0.17 116.57 119.83 1bje h LYS 62 Ca -0.14 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1bje h LYS 62 Cb 1.79 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1bje h LYS 62 CO 0.21 0.83 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.49 1bje h LYS 63 N 1.28 -0.43 -0.42 3.15 3.64 -1.23 -2.06 116.57 120.49 1bje h LYS 63 Ca 0.34 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1bje h LYS 63 Cb -0.14 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1bje h LYS 63 CO -0.07 -0.29 0.15 1.15 -2.27 0.00 0.00 179.45 178.11 1bje h THR 64 N -0.45 1.17 -0.88 1.00 2.02 -0.26 -2.03 112.91 113.47 1bje h THR 64 Ca -0.01 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1bje h THR 64 Cb 0.41 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1bje h THR 64 CO -0.03 0.21 0.56 1.23 0.37 0.00 0.00 175.52 177.86 1bje h GLY 65 N 0.78 1.25 0.97 2.16 0.00 -0.29 -1.28 103.07 106.66 1bje h GLY 65 Ca 0.14 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1bje h GLY 65 CO -0.01 0.48 -0.00 -0.84 0.00 0.00 0.00 176.54 176.17 1bje h THR 66 N 1.20 1.26 -0.24 4.70 2.02 -0.80 0.23 112.91 121.28 1bje h THR 66 Ca 0.32 -1.03 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1bje h THR 66 Cb -0.10 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1bje h THR 66 CO -0.06 0.35 0.13 0.58 0.37 0.00 0.00 175.52 176.89 1bje h VAL 67 N 0.59 1.02 0.52 3.16 2.07 -0.79 0.52 116.25 123.34 1bje h VAL 67 Ca 0.12 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1bje h VAL 67 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1bje h VAL 67 CO 0.02 0.05 -0.27 0.58 0.02 0.00 0.00 177.57 177.97 1bje h VAL 68 N 0.28 0.44 0.00 2.57 2.07 -1.09 -1.20 116.25 119.32 1bje h VAL 68 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1bje h VAL 68 Cb 0.00 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1bje h VAL 68 CO -0.05 0.00 -0.13 -0.07 0.02 0.00 0.00 177.57 177.33 1bje h LEU 69 N -0.73 0.00 -0.42 2.57 3.38 -0.47 -2.14 115.31 117.50 1bje h LEU 69 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1bje h LEU 69 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1bje h LEU 69 CO 0.09 0.13 -0.21 0.74 0.09 0.00 0.00 178.44 179.29 1bje h THR 70 N 0.00 1.28 0.06 0.22 2.02 0.53 -2.36 112.91 114.65 1bje h THR 70 Ca -0.00 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 1bje h THR 70 Cb 0.55 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1bje h THR 70 CO 0.02 0.46 -0.03 0.00 0.37 0.00 0.00 175.52 176.34 1bje h ALA 71 N 0.83 -0.08 -0.51 6.16 0.00 -0.75 -2.58 119.26 122.32 1bje h ALA 71 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1bje h ALA 71 Cb 0.77 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1bje h ALA 71 CO 0.06 -0.43 0.27 1.25 0.00 0.00 0.00 179.25 180.41 1bje h LEU 72 N -0.31 0.40 -1.15 0.00 5.85 -1.50 -1.50 115.31 117.11 1bje h LEU 72 Ca -0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1bje h LEU 72 Cb 0.28 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1bje h LEU 72 CO 0.01 0.28 0.59 1.23 -0.34 0.00 0.00 178.44 180.21 1bje h GLY 73 N 0.53 1.32 0.99 3.75 0.00 -1.39 0.36 103.07 108.63 1bje h GLY 73 Ca 0.22 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1bje h GLY 73 CO -0.14 0.27 0.29 -1.33 0.00 0.00 0.00 176.54 175.64 1bje h GLY 74 N 0.99 0.93 0.51 4.60 0.00 -0.93 -1.60 103.07 107.56 1bje h GLY 74 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1bje h GLY 74 CO -0.16 0.43 -0.01 -2.22 0.00 0.00 0.00 176.54 174.59 1bje h ILE 75 N 0.82 1.41 -0.77 2.60 2.04 -0.15 -3.20 117.51 120.26 1bje h ILE 75 Ca 0.21 -1.21 0.09 0.00 1.00 0.00 0.00 64.86 64.94 1bje h ILE 75 Cb 0.11 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1bje h ILE 75 CO -0.03 0.32 0.51 -0.07 0.00 0.00 0.00 178.15 178.88 1bje h LEU 76 N -0.48 0.65 -0.59 1.44 3.38 -0.27 0.14 115.31 119.59 1bje h LEU 76 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bje h LEU 76 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1bje h LEU 76 CO 0.00 0.40 0.00 0.29 0.09 0.00 0.00 178.44 179.22 1bje n LYS 77 N -4.50 0.13 0.13 1.13 5.02 -0.61 -1.31 118.16 118.15 1bje n LYS 77 Ca 0.12 0.42 0.13 0.00 -2.02 0.00 0.00 58.31 56.96 1bje n LYS 77 Cb 0.30 -1.77 0.32 0.00 -0.02 0.00 0.00 35.03 33.86 1bje n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1bje h LYS 78 N 0.00 0.00 -5.87 1.97 1.79 -0.80 -3.48 116.57 110.18 1bje h LYS 78 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1bje h LYS 78 Cb 0.26 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.05 1bje h LYS 78 CO 0.00 0.00 -0.90 1.63 -1.08 0.00 0.00 179.45 179.10 1bje n LYS 79 N -2.47 -1.98 0.00 3.15 5.02 -0.42 -2.00 118.16 119.46 1bje n LYS 79 Ca 0.05 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1bje n LYS 79 Cb 0.46 -4.97 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1bje n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bje n GLY 80 N -1.47 2.60 2.65 0.72 0.00 -1.26 -4.89 105.19 103.53 1bje n GLY 80 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1bje n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bje n HIS 81 N -1.95 2.69 -1.94 1.61 8.25 -0.84 -4.69 115.22 118.35 1bje n HIS 81 Ca 0.00 -2.78 -0.02 0.00 -0.26 0.00 0.00 57.72 54.65 1bje n HIS 81 Cb 0.00 -1.82 0.12 0.00 1.12 0.00 0.00 29.99 29.41 1bje n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1bje n HIS 82 N 2.37 0.77 -0.13 4.41 1.44 -1.26 -4.81 115.22 118.00 1bje n HIS 82 Ca 0.52 -1.56 -0.05 0.00 -2.01 0.00 0.00 57.72 54.61 1bje n HIS 82 Cb 0.29 -0.25 0.03 0.00 0.12 0.00 0.00 29.99 30.18 1bje n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1bje h GLU 83 N 1.41 0.36 -0.57 -1.40 -0.00 -1.99 -1.42 114.58 110.97 1bje h GLU 83 Ca 0.04 -0.02 0.06 0.00 -0.00 0.00 0.00 59.36 59.44 1bje h GLU 83 Cb 1.30 -0.08 -0.05 0.00 -0.00 0.00 0.00 28.75 29.91 1bje h GLU 83 CO 0.22 0.24 0.28 0.00 -0.00 0.00 0.00 179.01 179.75 1bje h ALA 84 N 1.25 0.74 0.00 1.06 0.00 -2.00 -2.22 119.26 118.08 1bje h ALA 84 Ca 0.19 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1bje h ALA 84 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1bje h ALA 84 CO -0.16 -0.07 -0.95 0.93 0.00 0.00 0.00 179.25 179.00 1bje h GLU 85 N 0.54 0.00 0.13 0.00 3.07 -1.90 -3.39 114.58 113.03 1bje h GLU 85 Ca 0.26 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.77 1bje h GLU 85 Cb 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1bje h GLU 85 CO -0.19 0.92 -1.84 1.25 -1.40 0.00 0.00 179.01 177.75 1bje h LEU 86 N 0.00 0.43 -0.34 1.33 5.85 -1.17 -3.37 115.31 118.03 1bje h LEU 86 Ca -0.02 -0.80 0.06 0.00 0.84 0.00 0.00 57.88 57.96 1bje h LEU 86 Cb 1.73 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.53 1bje h LEU 86 CO 0.12 1.70 -0.47 0.50 -0.34 0.00 0.00 178.44 179.95 1bje h LYS 87 N 0.07 -0.38 -0.91 1.25 3.64 -1.60 0.17 116.57 118.82 1bje h LYS 87 Ca -0.36 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.25 1bje h LYS 87 Cb 2.05 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 33.84 1bje h LYS 87 CO 0.12 -0.25 0.45 -1.00 -2.27 0.00 0.00 179.45 176.50 1bje h PRO 88 N -0.39 0.48 0.93 1.90 0.13 -1.78 0.27 132.00 133.54 1bje h PRO 88 Ca 0.10 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1bje h PRO 88 Cb 0.61 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.63 1bje h PRO 88 CO -0.55 0.32 -0.47 1.25 -0.23 0.00 0.00 178.00 178.32 1bje h LEU 89 N 0.49 -1.14 -1.12 1.56 5.85 -1.49 -1.18 115.31 118.28 1bje h LEU 89 Ca 0.56 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.34 1bje h LEU 89 Cb 1.01 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1bje h LEU 89 CO -0.48 -0.78 0.59 0.00 -0.34 0.00 0.00 178.44 177.43 1bje h ALA 90 N -1.35 1.39 -0.13 1.25 0.00 -0.07 -0.87 119.26 119.48 1bje h ALA 90 Ca -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bje h ALA 90 Cb 0.99 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bje h ALA 90 CO 0.19 0.55 0.05 1.96 0.00 0.00 0.00 179.25 182.00 1bje h GLN 91 N 1.18 0.20 -0.50 0.00 4.20 -0.45 -1.87 115.11 117.87 1bje h GLN 91 Ca 0.34 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.95 1bje h GLN 91 Cb -0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1bje h GLN 91 CO -0.08 0.31 0.08 0.66 -0.67 0.00 0.00 178.83 179.13 1bje h SER 92 N 0.04 0.79 0.03 1.46 4.64 -0.90 -0.48 113.55 119.13 1bje h SER 92 Ca 0.04 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 60.97 1bje h SER 92 Cb 0.19 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1bje h SER 92 CO -0.00 0.85 -0.42 0.45 -0.87 0.00 0.00 176.83 176.83 1bje h HIS 93 N 0.70 0.58 0.24 4.77 3.86 -1.09 -0.11 115.15 124.10 1bje h HIS 93 Ca 0.15 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1bje h HIS 93 Cb 0.39 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1bje h HIS 93 CO 0.03 0.83 -0.11 0.00 0.86 0.00 0.00 177.93 179.54 1bje h ALA 94 N 1.14 -0.32 0.12 2.45 0.00 -1.28 0.25 119.26 121.62 1bje h ALA 94 Ca 0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1bje h ALA 94 Cb 0.91 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1bje h ALA 94 CO 0.08 -0.34 -0.71 1.79 0.00 0.00 0.00 179.25 180.06 1bje h THR 95 N -0.99 1.54 0.00 0.00 1.35 -1.17 -3.26 112.91 110.37 1bje h THR 95 Ca -0.03 -2.50 -0.10 0.00 -0.55 0.00 0.00 66.41 63.22 1bje h THR 95 Cb 0.44 3.21 -0.02 0.00 -1.73 0.00 0.00 68.15 70.06 1bje h THR 95 CO 0.05 0.70 -0.82 0.50 -0.25 0.00 0.00 175.52 175.70 1bje h LYS 96 N -0.48 0.00 0.00 4.72 3.64 -1.22 -3.40 116.57 119.83 1bje h LYS 96 Ca -0.13 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1bje h LYS 96 Cb 1.54 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1bje h LYS 96 CO 0.12 0.45 -0.13 0.45 -2.27 0.00 0.00 179.45 178.07 1bje h HIS 97 N -1.00 0.00 -5.61 1.91 -0.00 -1.17 -3.49 115.15 105.79 1bje h HIS 97 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.92 1bje h HIS 97 Cb 0.85 0.00 0.17 0.00 -0.00 0.00 0.00 27.41 28.43 1bje h HIS 97 CO -0.07 0.07 -0.84 1.63 -0.00 0.00 0.00 177.93 178.72 1bje n LYS 98 N -3.09 -3.52 -3.32 2.45 5.02 0.60 -4.98 118.16 111.32 1bje n LYS 98 Ca 0.03 0.81 -0.45 0.00 -2.02 0.00 0.00 58.31 56.69 1bje n LYS 98 Cb 0.56 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.84 1bje n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bje s ILE 99 N -3.41 5.17 0.21 -0.18 -1.09 0.41 -5.01 121.20 117.30 1bje s ILE 99 Ca 0.31 -1.21 -0.32 0.00 -2.23 0.00 0.00 60.65 57.20 1bje s ILE 99 Cb -0.05 -4.26 -0.15 0.00 -1.58 0.00 0.00 42.46 36.43 1bje s ILE 99 CO 0.75 -0.76 1.20 -2.65 -1.23 0.00 0.00 174.94 172.25 1bje n PRO 100 N 5.37 1.42 0.20 2.79 -0.02 -1.26 -4.69 135.00 138.80 1bje n PRO 100 Ca -0.13 0.50 0.18 0.00 -2.02 0.00 0.00 63.50 62.04 1bje n PRO 100 Cb 0.42 -2.02 0.83 0.00 -0.02 0.00 0.00 33.50 32.71 1bje n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1bje h ILE 101 N 2.65 0.34 -0.84 4.25 2.10 -1.95 -0.22 117.51 123.84 1bje h ILE 101 Ca -0.43 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.52 1bje h ILE 101 Cb 1.33 0.77 -0.04 0.00 -1.09 0.00 0.00 36.82 37.78 1bje h ILE 101 CO 0.70 0.00 0.55 0.50 -1.08 0.00 0.00 178.15 178.82 1bje h LYS 102 N 0.00 1.08 -0.12 2.19 1.63 -2.00 -1.23 116.57 118.12 1bje h LYS 102 Ca 0.10 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1bje h LYS 102 Cb 0.65 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1bje h LYS 102 CO -0.00 0.71 -0.35 1.88 -3.45 0.00 0.00 179.45 178.24 1bje h TYR 103 N 1.11 0.28 0.00 1.91 -1.99 -1.38 -0.93 116.97 115.97 1bje h TYR 103 Ca 0.31 -0.07 -0.03 0.00 2.00 0.00 0.00 58.73 60.95 1bje h TYR 103 Cb -0.09 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1bje h TYR 103 CO -0.00 0.57 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.52 1bje h LEU 104 N 0.21 0.00 -0.02 3.88 3.38 -1.30 -1.75 115.31 119.71 1bje h LEU 104 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bje h LEU 104 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1bje h LEU 104 CO 0.06 0.14 -0.08 -0.08 0.09 0.00 0.00 178.44 178.56 1bje h GLU 105 N 0.00 0.09 -0.40 1.13 4.81 -0.13 -2.44 114.58 117.65 1bje h GLU 105 Ca -0.00 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1bje h GLU 105 Cb 0.70 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 1bje h GLU 105 CO 0.02 0.73 -0.09 0.74 -0.73 0.00 0.00 179.01 179.68 1bje h PHE 106 N -0.53 -0.20 0.00 0.92 0.04 -0.95 -0.62 116.94 115.60 1bje h PHE 106 Ca -0.01 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 1bje h PHE 106 Cb 0.75 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1bje h PHE 106 CO 0.15 -0.17 -0.31 0.97 -0.60 0.00 0.00 178.31 178.36 1bje h ILE 107 N 0.01 0.95 -0.46 -0.55 2.10 -1.39 -0.03 117.51 118.13 1bje h ILE 107 Ca 0.19 -1.18 -0.11 0.00 1.08 0.00 0.00 64.86 64.84 1bje h ILE 107 Cb 0.29 1.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1bje h ILE 107 CO -0.40 0.30 -0.14 0.28 -1.08 0.00 0.00 178.15 177.11 1bje h SER 108 N 0.00 0.92 -0.36 2.19 0.02 -0.74 -2.52 113.55 113.05 1bje h SER 108 Ca -0.00 -0.37 -0.08 0.00 -0.84 0.00 0.00 61.79 60.50 1bje h SER 108 Cb 0.67 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1bje h SER 108 CO 0.04 1.08 -0.07 0.44 -1.14 0.00 0.00 176.83 177.18 1bje h ASP 109 N 0.75 0.68 -0.51 3.07 3.32 -0.52 -2.99 116.42 120.21 1bje h ASP 109 Ca 0.11 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 56.86 1bje h ASP 109 Cb 0.70 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1bje h ASP 109 CO 0.05 0.88 0.34 0.00 -1.72 0.00 0.00 179.24 178.79 1bje h ALA 110 N 0.83 1.85 -0.18 3.45 0.00 -0.95 -0.64 119.26 123.62 1bje h ALA 110 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1bje h ALA 110 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bje h ALA 110 CO 0.03 0.07 -0.30 0.82 0.00 0.00 0.00 179.25 179.87 1bje h ILE 111 N 0.50 1.34 -0.66 0.00 2.04 -1.37 -1.27 117.51 118.09 1bje h ILE 111 Ca 0.22 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1bje h ILE 111 Cb 0.23 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1bje h ILE 111 CO -0.06 0.46 0.29 0.40 0.00 0.00 0.00 178.15 179.24 1bje h ILE 112 N 0.18 1.23 0.42 -0.67 1.08 -1.20 -2.09 117.51 116.46 1bje h ILE 112 Ca 0.01 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1bje h ILE 112 Cb 0.88 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1bje h ILE 112 CO 0.07 0.28 -0.37 -0.74 -0.69 0.00 0.00 178.15 176.70 1bje h HIS 113 N 0.92 -1.00 -0.60 1.37 2.76 -1.04 -3.00 115.15 114.55 1bje h HIS 113 Ca 0.22 0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.51 1bje h HIS 113 Cb 0.17 0.38 -0.12 0.00 1.55 0.00 0.00 27.41 29.39 1bje h HIS 113 CO 0.01 -0.50 -0.20 0.28 -1.30 0.00 0.00 177.93 176.22 1bje h VAL 114 N -0.77 0.33 -0.88 5.26 2.07 -1.16 -1.29 116.25 119.81 1bje h VAL 114 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 1bje h VAL 114 Cb 0.65 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1bje h VAL 114 CO -0.01 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.01 1bje h LEU 115 N -0.05 0.71 -0.43 2.57 3.38 -1.41 -0.19 115.31 119.89 1bje h LEU 115 Ca 0.28 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 1bje h LEU 115 Cb 0.48 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1bje h LEU 115 CO -0.64 0.37 -0.70 0.45 0.09 0.00 0.00 178.44 178.01 1bje h HIS 116 N 0.80 0.56 -0.11 1.13 3.86 -1.11 -1.81 115.15 118.47 1bje h HIS 116 Ca 0.44 -0.24 -0.10 0.00 -1.16 0.00 0.00 60.37 59.31 1bje h HIS 116 Cb 0.48 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1bje h HIS 116 CO -0.05 0.98 -0.40 1.03 0.86 0.00 0.00 177.93 180.35 1bje h SER 117 N 0.29 0.25 0.73 2.45 0.87 -0.75 -1.44 113.55 115.94 1bje h SER 117 Ca -0.02 -0.10 -0.13 0.00 -1.23 0.00 0.00 61.79 60.31 1bje h SER 117 Cb 1.27 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1bje h SER 117 CO 0.12 0.63 -1.36 0.29 -0.53 0.00 0.00 176.83 175.97 1bje n LYS 118 N -4.03 0.62 -2.66 2.24 5.02 -0.14 -4.42 118.16 114.79 1bje n LYS 118 Ca -0.01 0.18 -0.19 0.00 -2.02 0.00 0.00 58.31 56.27 1bje n LYS 118 Cb 0.47 -1.80 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1bje n LYS 118 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1bje n HIS 119 N -2.81 2.26 -1.68 2.13 8.25 -0.68 -5.09 115.22 117.59 1bje n HIS 119 Ca -0.08 -3.13 -0.52 0.00 -0.26 0.00 0.00 57.72 53.74 1bje n HIS 119 Cb 0.77 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.55 1bje n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bje n PRO 120 N -0.22 1.71 -0.39 -0.41 -0.04 -0.54 -0.33 135.00 134.77 1bje n PRO 120 Ca 0.25 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1bje n PRO 120 Cb 0.70 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1bje n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bje n GLY 121 N 3.98 1.60 1.21 0.55 0.00 -1.26 -4.81 105.19 106.46 1bje n GLY 121 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1bje n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bje n ASP 122 N 0.00 1.44 -3.79 1.61 5.75 0.55 -4.83 116.55 117.29 1bje n ASP 122 Ca 0.00 -2.83 -0.28 0.00 -0.01 0.00 0.00 54.79 51.67 1bje n ASP 122 Cb 0.00 -0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 39.57 1bje n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1bje n PHE 123 N -0.24 2.69 -1.20 2.11 7.35 -1.20 -5.04 117.46 121.93 1bje n PHE 123 Ca 0.13 -4.16 -0.36 0.00 -0.76 0.00 0.00 57.45 52.29 1bje n PHE 123 Cb 0.94 -0.50 0.07 0.00 0.35 0.00 0.00 39.48 40.34 1bje n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bje n GLY 124 N 1.99 -1.86 0.29 7.13 0.00 -1.26 -4.72 105.19 106.76 1bje n GLY 124 Ca 0.22 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1bje n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bje h ALA 125 N -0.51 1.48 -0.20 4.61 0.00 -1.99 0.12 119.26 122.78 1bje h ALA 125 Ca -0.45 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1bje h ALA 125 Cb 1.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bje h ALA 125 CO 0.41 0.39 -0.12 0.38 0.00 0.00 0.00 179.25 180.31 1bje h ASP 126 N 0.56 0.44 -0.47 0.00 2.03 -1.98 -2.23 116.42 114.78 1bje h ASP 126 Ca 0.13 -0.43 -0.05 0.00 -0.73 0.00 0.00 57.03 55.96 1bje h ASP 126 Cb 0.17 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.53 1bje h ASP 126 CO -0.01 0.77 0.11 0.00 -1.03 0.00 0.00 179.24 179.09 1bje h ALA 127 N 0.68 0.61 -0.81 4.15 0.00 -1.75 -1.25 119.26 120.90 1bje h ALA 127 Ca 0.04 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1bje h ALA 127 Cb 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1bje h ALA 127 CO 0.03 0.30 0.54 0.37 0.00 0.00 0.00 179.25 180.49 1bje h GLN 128 N 0.63 1.00 0.16 0.00 4.15 -0.76 -0.45 115.11 119.84 1bje h GLN 128 Ca 0.15 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1bje h GLN 128 Cb 0.33 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1bje h GLN 128 CO 0.00 0.66 -0.11 0.78 -1.93 0.00 0.00 178.83 178.24 1bje h GLY 129 N 1.03 -0.56 0.25 2.39 0.00 -1.01 0.29 103.07 105.46 1bje h GLY 129 Ca 0.32 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.96 1bje h GLY 129 CO -0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 176.54 176.14 1bje h ALA 130 N -1.72 0.18 -0.95 3.60 0.00 -1.16 -2.55 119.26 116.66 1bje h ALA 130 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1bje h ALA 130 Cb 0.20 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1bje h ALA 130 CO 0.02 -0.49 0.62 1.98 0.00 0.00 0.00 179.25 181.38 1bje h MET 131 N -0.04 1.16 -0.56 0.00 1.85 -1.03 -1.44 114.93 114.87 1bje h MET 131 Ca 0.17 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1bje h MET 131 Cb 0.30 -0.26 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1bje h MET 131 CO -0.38 0.77 0.15 1.15 -0.40 0.00 0.00 176.91 178.20 1bje h THR 132 N 1.20 1.24 -0.63 -0.77 2.02 -0.54 -1.13 112.91 114.30 1bje h THR 132 Ca 0.38 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1bje h THR 132 Cb 0.02 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1bje h THR 132 CO -0.13 0.32 0.04 0.11 0.37 0.00 0.00 175.52 176.23 1bje h LYS 133 N 0.80 1.08 -0.65 6.66 1.57 -1.25 0.46 116.57 125.24 1bje h LYS 133 Ca 0.18 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1bje h LYS 133 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1bje h LYS 133 CO -0.00 1.03 0.12 0.00 -0.57 0.00 0.00 179.45 180.03 1bje h ALA 134 N 1.03 0.86 -0.14 3.86 0.00 -0.97 -0.49 119.26 123.41 1bje h ALA 134 Ca 0.18 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1bje h ALA 134 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bje h ALA 134 CO 0.02 0.61 -0.50 -0.07 0.00 0.00 0.00 179.25 179.32 1bje h LEU 135 N 0.98 0.41 -0.48 0.00 3.38 -1.03 -2.41 115.31 116.16 1bje h LEU 135 Ca 0.20 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1bje h LEU 135 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1bje h LEU 135 CO 0.01 0.84 -0.06 -0.33 0.09 0.00 0.00 178.44 178.99 1bje h GLU 136 N 0.30 0.89 -0.87 1.13 5.08 -0.26 -1.73 114.58 119.13 1bje h GLU 136 Ca 0.01 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1bje h GLU 136 Cb 0.98 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1bje h GLU 136 CO 0.08 0.96 0.46 1.25 -1.00 0.00 0.00 179.01 180.76 1bje h LEU 137 N 0.74 1.10 0.42 1.33 5.85 -1.06 0.36 115.31 124.05 1bje h LEU 137 Ca 0.13 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1bje h LEU 137 Cb 0.60 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1bje h LEU 137 CO 0.04 0.89 -0.20 0.15 -0.34 0.00 0.00 178.44 178.97 1bje h PHE 138 N 1.22 -0.53 -1.01 1.25 3.57 -1.23 -2.35 116.94 117.87 1bje h PHE 138 Ca 0.30 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.83 1bje h PHE 138 Cb 0.05 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1bje h PHE 138 CO 0.01 -0.24 0.66 -0.09 -2.23 0.00 0.00 178.31 176.43 1bje h ARG 139 N -0.76 1.24 -0.05 1.11 2.43 -1.06 -2.47 114.38 114.83 1bje h ARG 139 Ca -0.06 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1bje h ARG 139 Cb 0.53 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1bje h ARG 139 CO 0.10 0.82 0.00 -0.97 -1.51 0.00 0.00 179.97 178.41 1bje h ASN 140 N 1.28 0.08 -0.05 -3.80 -1.24 -0.28 0.22 115.58 111.79 1bje h ASN 140 Ca 0.40 -0.30 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 1bje h ASN 140 Cb -0.01 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1bje h ASN 140 CO -0.12 0.36 -0.03 0.44 -1.29 0.00 0.00 177.43 176.79 1bje h ASP 141 N -0.21 0.20 -0.14 1.15 5.19 -1.26 -1.27 116.42 120.08 1bje h ASP 141 Ca 0.01 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1bje h ASP 141 Cb 0.32 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1bje h ASP 141 CO 0.00 0.27 -0.29 0.40 -3.12 0.00 0.00 179.24 176.50 1bje h ILE 142 N 0.22 1.36 -0.93 0.35 2.04 -1.32 -2.70 117.51 116.53 1bje h ILE 142 Ca 0.05 -1.55 0.17 0.00 1.00 0.00 0.00 64.86 64.53 1bje h ILE 142 Cb 0.20 2.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 1bje h ILE 142 CO 0.01 0.46 0.53 0.00 0.00 0.00 0.00 178.15 179.14 1bje h ALA 143 N 0.55 1.48 -0.11 1.87 0.00 0.20 1.00 119.26 124.24 1bje h ALA 143 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bje h ALA 143 Cb 0.88 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1bje h ALA 143 CO 0.06 -0.06 0.03 0.00 0.00 0.00 0.00 179.25 179.28 1bje h ALA 144 N 1.60 0.15 -0.44 0.00 0.00 -1.29 -0.20 119.26 119.08 1bje h ALA 144 Ca 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1bje h ALA 144 Cb 0.77 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1bje h ALA 144 CO -0.37 -0.22 0.18 0.87 0.00 0.00 0.00 179.25 179.71 1bje h LYS 145 N -0.02 0.62 -0.35 0.00 6.56 -1.05 -1.24 116.57 121.11 1bje h LYS 145 Ca 0.04 -0.08 -0.11 0.00 -1.06 0.00 0.00 60.65 59.44 1bje h LYS 145 Cb 0.25 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1bje h LYS 145 CO 0.00 0.51 -0.23 1.88 -2.06 0.00 0.00 179.45 179.55 1bje h TYR 146 N 0.62 0.76 -0.26 -1.35 -1.99 -0.21 -2.80 116.97 111.74 1bje h TYR 146 Ca 0.15 -0.17 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1bje h TYR 146 Cb 0.12 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 1bje h TYR 146 CO 0.01 0.84 0.02 -0.22 -0.00 0.00 0.00 178.16 178.81 1bje h LYS 147 N 0.59 0.44 -0.95 4.88 3.64 -0.19 -1.18 116.57 123.81 1bje h LYS 147 Ca 0.08 -0.13 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1bje h LYS 147 Cb 0.71 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.41 1bje h LYS 147 CO 0.05 0.58 0.60 0.93 -2.27 0.00 0.00 179.45 179.35 1bje h GLU 148 N 0.24 0.89 -0.00 1.90 5.08 -1.03 -1.04 114.58 120.61 1bje h GLU 148 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1bje h GLU 148 Cb 0.37 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1bje h GLU 148 CO 0.01 0.59 -0.07 1.28 -1.00 0.00 0.00 179.01 179.82 1bje n LEU 149 N -4.57 0.46 -1.66 1.33 4.77 -1.08 -4.92 117.00 111.34 1bje n LEU 149 Ca 0.17 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.94 1bje n LEU 149 Cb 0.34 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1bje n LEU 149 CO 0.29 0.08 -0.20 0.61 -1.33 0.00 0.00 177.39 176.85 1bje n GLY 150 N 1.22 1.06 2.65 -0.72 0.00 -0.40 -4.81 105.19 104.19 1bje n GLY 150 Ca 0.17 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1bje n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1bje n PHE 151 N -2.99 0.94 -0.16 1.61 7.35 -0.49 -4.54 117.46 119.18 1bje n PHE 151 Ca -0.20 -1.53 -0.04 0.00 -0.76 0.00 0.00 57.45 54.92 1bje n PHE 151 Cb 0.63 -1.38 0.02 0.00 0.35 0.00 0.00 39.48 39.11 1bje n PHE 151 CO 0.00 0.00 0.00 -0.56 -0.76 0.00 0.00 176.76 175.44 1bje h GLN 152 N 6.44 -0.10 -0.03 -4.13 -0.00 -1.87 -3.47 115.11 111.94 1bje h GLN 152 Ca 0.35 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1bje h GLN 152 Cb 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 1bje h GLN 152 CO 1.23 -0.07 0.00 0.41 -0.00 0.00 0.00 178.83 180.40