#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bja n LYS 3 N 0.00 2.16 0.18 -1.46 5.02 -1.26 -4.79 118.16 118.01 1bja n LYS 3 Ca 0.00 -3.40 0.04 0.00 -2.02 0.00 0.00 58.31 52.93 1bja n LYS 3 Cb 0.00 -1.90 0.32 0.00 -0.02 0.00 0.00 35.03 33.43 1bja n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1bja h VAL 4 N 1.21 1.08 0.00 -0.18 2.07 -1.98 -2.78 116.25 115.67 1bja h VAL 4 Ca 0.24 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1bja h VAL 4 Cb 1.48 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1bja h VAL 4 CO 0.48 0.42 0.00 0.71 0.02 0.00 0.00 177.57 179.20 1bja h THR 5 N 0.00 0.00 -0.04 2.57 1.35 -1.96 0.30 112.91 115.14 1bja h THR 5 Ca -0.00 -0.10 -0.10 0.00 -0.55 0.00 0.00 66.41 65.66 1bja h THR 5 Cb 0.88 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1bja h THR 5 CO 0.06 0.00 -0.43 1.88 -0.25 0.00 0.00 175.52 176.78 1bja h TYR 6 N 0.00 0.09 -0.40 4.73 0.05 -1.85 -0.08 116.97 119.51 1bja h TYR 6 Ca 0.00 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 1bja h TYR 6 Cb 0.10 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1bja h TYR 6 CO 0.00 0.50 -0.30 0.82 -1.05 0.00 0.00 178.16 178.13 1bja h ILE 7 N 0.07 1.28 -0.41 -2.88 2.04 -0.59 0.50 117.51 117.51 1bja h ILE 7 Ca 0.00 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 1bja h ILE 7 Cb 0.79 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1bja h ILE 7 CO 0.06 0.49 0.26 0.40 0.00 0.00 0.00 178.15 179.36 1bja h ILE 8 N 0.73 1.12 0.50 -0.67 2.04 -1.07 0.08 117.51 120.24 1bja h ILE 8 Ca 0.08 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1bja h ILE 8 Cb 0.88 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1bja h ILE 8 CO 0.08 0.12 -0.24 0.11 0.00 0.00 0.00 178.15 178.22 1bja h LYS 9 N 0.55 -0.64 -0.77 2.37 1.57 -0.88 0.79 116.57 119.55 1bja h LYS 9 Ca 0.15 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.13 1bja h LYS 9 Cb -0.02 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1bja h LYS 9 CO -0.03 -0.42 0.52 0.00 -0.57 0.00 0.00 179.45 178.95 1bja h ALA 10 N -0.19 2.11 -0.04 3.86 0.00 -0.72 0.22 119.26 124.50 1bja h ALA 10 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bja h ALA 10 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bja h ALA 10 CO 0.11 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 1bja n SER 11 N -4.48 0.27 -3.92 0.00 3.41 0.00 -4.84 113.62 104.06 1bja n SER 11 Ca 0.15 -2.00 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1bja n SER 11 Cb 0.54 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1bja n SER 11 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bja n ASN 12 N -0.36 -3.56 -0.99 4.04 4.05 0.76 -2.77 115.26 116.42 1bja n ASN 12 Ca 0.01 -0.84 -0.13 0.00 0.45 0.00 0.00 54.58 54.08 1bja n ASN 12 Cb 0.05 -3.71 -0.06 0.00 1.23 0.00 0.00 39.78 37.30 1bja n ASN 12 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1bja n ASP 13 N -2.87 -5.34 -0.55 1.20 8.00 0.27 -4.84 116.55 112.44 1bja n ASP 13 Ca -0.05 0.32 0.12 0.00 0.71 0.00 0.00 54.79 55.89 1bja n ASP 13 Cb 0.56 -3.97 0.43 0.00 -0.02 0.00 0.00 41.12 38.12 1bja n ASP 13 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bja n VAL 14 N -2.36 0.12 -4.30 2.53 0.24 -1.11 -4.79 118.33 108.65 1bja n VAL 14 Ca -0.13 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.34 61.57 1bja n VAL 14 Cb 0.55 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.29 1bja n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1bja s LEU 15 N -1.77 2.81 0.00 1.34 1.43 -1.26 -5.13 118.68 116.09 1bja s LEU 15 Ca 0.35 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1bja s LEU 15 Cb 0.19 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1bja s LEU 15 CO 0.30 0.15 0.08 -0.46 0.23 0.00 0.00 176.35 176.66 1bja n ASN 16 N 0.53 1.00 0.24 2.29 0.23 -1.26 -4.77 115.26 113.53 1bja n ASN 16 Ca -0.14 -1.29 0.07 0.00 -0.53 0.00 0.00 54.58 52.69 1bja n ASN 16 Cb 0.54 -0.02 0.58 0.00 -2.08 0.00 0.00 39.78 38.79 1bja n ASN 16 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bja h GLU 17 N 0.00 0.00 0.00 -3.83 4.81 -1.99 -2.88 114.58 110.70 1bja h GLU 17 Ca -0.05 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1bja h GLU 17 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1bja h GLU 17 CO 0.08 0.10 -0.60 0.87 -0.73 0.00 0.00 179.01 178.73 1bja h LYS 18 N 0.00 0.00 -0.32 1.92 6.56 -1.99 -1.61 116.57 121.13 1bja h LYS 18 Ca -0.00 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.65 1bja h LYS 18 Cb 0.18 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 1bja h LYS 18 CO 0.01 0.85 0.22 1.79 -2.06 0.00 0.00 179.45 180.26 1bja h THR 19 N -1.00 0.93 -0.13 -0.16 1.35 -1.93 -0.52 112.91 111.44 1bja h THR 19 Ca -0.16 -0.06 -0.21 0.00 -0.55 0.00 0.00 66.41 65.44 1bja h THR 19 Cb 1.03 0.75 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1bja h THR 19 CO -0.09 0.03 -0.73 0.00 -0.25 0.00 0.00 175.52 174.48 1bja h ALA 20 N 1.83 0.26 -0.13 6.62 0.00 -1.55 -0.26 119.26 126.04 1bja h ALA 20 Ca 0.14 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1bja h ALA 20 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1bja h ALA 20 CO -0.02 0.60 -0.05 1.15 0.00 0.00 0.00 179.25 180.93 1bja h THR 21 N 0.41 0.83 -0.76 0.00 2.02 -0.52 -1.46 112.91 113.44 1bja h THR 21 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1bja h THR 21 Cb 1.36 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1bja h THR 21 CO 0.15 0.00 0.36 0.40 0.37 0.00 0.00 175.52 176.80 1bja h ILE 22 N -0.03 1.24 -0.48 3.11 2.04 -1.06 -1.86 117.51 120.47 1bja h ILE 22 Ca 0.07 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.28 1bja h ILE 22 Cb 0.13 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1bja h ILE 22 CO -0.15 0.29 0.27 0.25 0.00 0.00 0.00 178.15 178.81 1bja h LEU 23 N 1.08 0.42 -0.55 1.44 6.46 -0.80 -2.17 115.31 121.19 1bja h LEU 23 Ca 0.26 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1bja h LEU 23 Cb 0.11 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1bja h LEU 23 CO -0.03 0.30 0.35 0.40 -0.62 0.00 0.00 178.44 178.83 1bja h ILE 24 N 0.54 1.15 -0.97 4.05 1.08 -0.82 -0.82 117.51 121.71 1bja h ILE 24 Ca 0.20 -0.30 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 1bja h ILE 24 Cb 0.06 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.11 1bja h ILE 24 CO -0.11 0.15 0.63 0.74 -0.69 0.00 0.00 178.15 178.86 1bja h THR 25 N 0.74 1.10 0.05 -0.27 2.02 -0.77 -2.25 112.91 113.52 1bja h THR 25 Ca 0.20 -0.39 -0.24 0.00 0.77 0.00 0.00 66.41 66.75 1bja h THR 25 Cb -0.06 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.21 1bja h THR 25 CO -0.04 0.21 -1.04 0.40 0.37 0.00 0.00 175.52 175.41 1bja h ILE 26 N 1.14 1.47 0.00 3.11 2.04 -0.90 -3.04 117.51 121.33 1bja h ILE 26 Ca 0.41 -2.75 -0.04 0.00 1.00 0.00 0.00 64.86 63.48 1bja h ILE 26 Cb 0.15 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1bja h ILE 26 CO -0.15 0.81 -0.21 0.00 0.00 0.00 0.00 178.15 178.60 1bja h ALA 27 N 0.74 1.42 0.00 1.87 0.00 -0.79 -2.47 119.26 120.03 1bja h ALA 27 Ca -0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1bja h ALA 27 Cb 1.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1bja h ALA 27 CO 0.17 0.26 -0.20 0.87 0.00 0.00 0.00 179.25 180.35 1bja h LYS 28 N 0.00 0.00 -2.58 0.00 1.57 -1.29 -3.42 116.57 110.84 1bja h LYS 28 Ca -0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.33 1bja h LYS 28 Cb 0.43 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.36 1bja h LYS 28 CO 0.03 0.20 -0.72 0.21 -0.57 0.00 0.00 179.45 178.60 1bja s LYS 29 N -3.51 0.22 0.16 3.15 2.20 -0.93 -5.12 119.74 115.91 1bja s LYS 29 Ca 0.02 -0.31 -0.34 0.00 -0.36 0.00 0.00 55.97 54.97 1bja s LYS 29 Cb 0.09 -1.05 -0.14 0.00 -1.51 0.00 0.00 37.83 35.22 1bja s LYS 29 CO 0.64 -0.97 1.51 -0.25 -0.36 0.00 0.00 175.35 175.92 1bja n ASP 30 N 5.28 2.78 -0.13 1.43 8.00 -1.26 -2.19 116.55 130.46 1bja n ASP 30 Ca -0.05 1.10 -0.02 0.00 0.71 0.00 0.00 54.79 56.53 1bja n ASP 30 Cb 0.44 -1.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.16 1bja n ASP 30 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bja n PHE 31 N 3.06 0.00 -1.72 1.24 3.72 0.27 -4.95 117.46 119.09 1bja n PHE 31 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1bja n PHE 31 Cb 0.27 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.98 1bja n PHE 31 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1bja n ILE 32 N -2.72 2.24 -2.51 4.37 3.06 -0.93 -4.09 119.36 118.78 1bja n ILE 32 Ca -0.02 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.45 1bja n ILE 32 Cb 0.17 -1.65 0.00 0.00 0.54 0.00 0.00 39.64 38.70 1bja n ILE 32 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1bja s THR 33 N -1.14 4.79 0.39 9.51 -4.23 -1.26 0.39 115.64 124.08 1bja s THR 33 Ca 0.57 0.28 0.06 0.00 -1.18 0.00 0.00 61.69 61.42 1bja s THR 33 Cb -0.53 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 69.75 1bja s THR 33 CO 0.61 -0.86 2.03 0.00 -0.54 0.00 0.00 174.62 175.86 1bja h ALA 34 N 0.11 1.68 -0.27 3.99 0.00 -1.94 -1.91 119.26 120.92 1bja h ALA 34 Ca -0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1bja h ALA 34 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bja h ALA 34 CO 0.62 0.28 -0.12 0.00 0.00 0.00 0.00 179.25 180.03 1bja h ALA 35 N 1.69 1.28 -0.27 0.00 0.00 -1.93 -1.23 119.26 118.80 1bja h ALA 35 Ca 0.19 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1bja h ALA 35 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1bja h ALA 35 CO -0.05 0.48 -0.21 0.93 0.00 0.00 0.00 179.25 180.40 1bja h GLU 36 N 0.42 0.63 -0.17 0.00 5.08 -1.74 -1.06 114.58 117.73 1bja h GLU 36 Ca 0.08 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1bja h GLU 36 Cb 0.47 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1bja h GLU 36 CO 0.03 0.90 -0.14 0.28 -1.00 0.00 0.00 179.01 179.08 1bja h VAL 37 N 0.36 0.60 -0.14 3.13 2.07 -1.21 -2.14 116.25 118.92 1bja h VAL 37 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1bja h VAL 37 Cb 0.76 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1bja h VAL 37 CO 0.06 0.00 0.06 0.03 0.02 0.00 0.00 177.57 177.74 1bja h ARG 38 N -0.15 0.19 -0.29 1.57 3.08 -1.22 -2.79 114.38 114.76 1bja h ARG 38 Ca 0.11 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1bja h ARG 38 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1bja h ARG 38 CO -0.26 0.16 0.05 1.49 -1.07 0.00 0.00 179.97 180.33 1bja h GLU 39 N 0.19 0.48 -0.02 0.04 4.81 -0.59 -2.43 114.58 117.07 1bja h GLU 39 Ca 0.05 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1bja h GLU 39 Cb 0.04 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1bja h GLU 39 CO -0.01 0.59 0.00 1.33 -0.73 0.00 0.00 179.01 180.19 1bja n VAL 40 N -4.64 0.03 -3.05 0.32 0.24 -0.86 -4.08 118.33 106.28 1bja n VAL 40 Ca -0.03 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.34 62.00 1bja n VAL 40 Cb 0.21 -0.21 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1bja n VAL 40 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1bja n HIS 41 N -0.64 1.99 0.27 6.34 8.25 -0.91 -4.92 115.22 125.60 1bja n HIS 41 Ca 0.17 -3.86 0.14 0.00 -0.26 0.00 0.00 57.72 53.91 1bja n HIS 41 Cb 0.12 -0.44 0.72 0.00 1.12 0.00 0.00 29.99 31.51 1bja n HIS 41 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1bja h PRO 42 N 2.98 0.00 0.00 -0.41 0.11 -1.71 -1.78 132.00 131.19 1bja h PRO 42 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1bja h PRO 42 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1bja h PRO 42 CO 0.65 0.11 0.00 0.38 -0.21 0.00 0.00 178.00 178.93 1bja h ASP 43 N 0.00 0.00 0.14 -2.05 2.03 -1.92 -3.23 116.42 111.39 1bja h ASP 43 Ca -0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 1bja h ASP 43 Cb 0.42 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1bja h ASP 43 CO 0.01 0.00 -1.95 -0.07 -1.03 0.00 0.00 179.24 176.21 1bja h LEU 44 N 0.00 0.46 0.00 0.15 3.38 -1.72 -3.52 115.31 114.06 1bja h LEU 44 Ca 0.00 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1bja h LEU 44 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bja h LEU 44 CO 0.00 1.85 0.00 0.61 0.09 0.00 0.00 178.44 180.99 1bja n GLY 45 N 1.97 0.29 0.17 0.83 0.00 -1.18 -4.35 105.19 102.91 1bja n GLY 45 Ca -0.31 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 1bja n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bja h ASN 46 N 0.00 -0.34 -0.49 1.61 -0.26 -1.92 -1.54 115.58 112.64 1bja h ASN 46 Ca 0.00 0.03 0.09 0.00 -0.56 0.00 0.00 56.30 55.87 1bja h ASN 46 Cb 0.00 0.12 -0.08 0.00 -1.06 0.00 0.00 38.32 37.30 1bja h ASN 46 CO 0.00 -0.19 0.01 0.00 -1.06 0.00 0.00 177.43 176.18 1bja h ALA 47 N 0.58 0.47 -0.22 -0.83 0.00 -1.99 0.26 119.26 117.53 1bja h ALA 47 Ca 0.01 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1bja h ALA 47 Cb 0.27 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1bja h ALA 47 CO -0.04 -0.38 -0.60 0.28 0.00 0.00 0.00 179.25 178.51 1bja h VAL 48 N 0.12 1.29 -0.14 0.00 2.07 -1.68 -0.07 116.25 117.85 1bja h VAL 48 Ca 0.25 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1bja h VAL 48 Cb 0.37 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1bja h VAL 48 CO -0.40 0.58 0.07 0.58 0.02 0.00 0.00 177.57 178.41 1bja h VAL 49 N 0.53 1.10 -0.64 2.57 2.07 -1.02 -1.02 116.25 119.84 1bja h VAL 49 Ca -0.01 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1bja h VAL 49 Cb 1.22 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1bja h VAL 49 CO 0.13 0.10 0.42 0.78 0.02 0.00 0.00 177.57 179.01 1bja h ASN 50 N 0.11 0.71 -0.26 0.57 2.35 -0.87 -0.82 115.58 117.38 1bja h ASN 50 Ca 0.05 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1bja h ASN 50 Cb 0.09 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1bja h ASN 50 CO -0.01 0.51 0.12 -1.28 -1.65 0.00 0.00 177.43 175.12 1bja h SER 51 N 0.84 0.17 0.15 5.81 0.87 -0.71 -0.95 113.55 119.74 1bja h SER 51 Ca 0.24 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1bja h SER 51 Cb -0.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1bja h SER 51 CO -0.07 0.13 -0.60 0.78 -0.53 0.00 0.00 176.83 176.54 1bja h ASN 52 N 0.26 0.51 -0.66 6.23 2.35 -0.79 -1.00 115.58 122.47 1bja h ASN 52 Ca 0.11 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1bja h ASN 52 Cb 0.04 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 1bja h ASN 52 CO -0.08 0.99 0.38 0.40 -1.65 0.00 0.00 177.43 177.47 1bja h ILE 53 N 0.34 1.01 -0.85 2.81 2.04 -0.95 -1.54 117.51 120.36 1bja h ILE 53 Ca -0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1bja h ILE 53 Cb 1.14 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1bja h ILE 53 CO 0.11 0.13 0.52 1.23 0.00 0.00 0.00 178.15 180.14 1bja h GLY 54 N 0.73 1.22 0.93 5.37 0.00 -0.06 -0.82 103.07 110.44 1bja h GLY 54 Ca 0.29 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1bja h GLY 54 CO -0.15 0.48 0.14 -2.08 0.00 0.00 0.00 176.54 174.92 1bja h VAL 55 N 1.16 1.17 -0.75 4.60 2.07 -0.68 -0.27 116.25 123.56 1bja h VAL 55 Ca 0.31 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 1bja h VAL 55 Cb -0.07 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1bja h VAL 55 CO -0.06 0.18 0.25 -0.07 0.02 0.00 0.00 177.57 177.89 1bja h LEU 56 N 0.38 1.08 -0.07 2.57 3.38 -0.73 0.86 115.31 122.78 1bja h LEU 56 Ca 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1bja h LEU 56 Cb 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1bja h LEU 56 CO -0.01 0.99 0.04 0.40 0.09 0.00 0.00 178.44 179.95 1bja h ILE 57 N 1.11 1.09 0.00 1.22 2.04 -0.98 -0.82 117.51 121.16 1bja h ILE 57 Ca 0.24 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1bja h ILE 57 Cb 0.29 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1bja h ILE 57 CO -0.01 0.07 -0.12 0.50 0.00 0.00 0.00 178.15 178.60 1bja h LYS 58 N 0.02 0.00 -0.00 2.37 1.63 -0.60 -0.31 116.57 119.67 1bja h LYS 58 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1bja h LYS 58 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1bja h LYS 58 CO -0.00 0.12 -0.27 1.63 -3.45 0.00 0.00 179.45 177.47 1bja n LYS 59 N -3.58 0.14 -1.06 1.90 5.02 0.26 -4.93 118.16 115.91 1bja n LYS 59 Ca -0.02 -0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.20 1bja n LYS 59 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1bja n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bja n GLY 60 N 1.46 0.54 0.08 0.72 0.00 -0.13 -4.91 105.19 102.95 1bja n GLY 60 Ca 0.08 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1bja n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bja h LEU 61 N 0.00 0.01 -8.63 0.99 3.38 -1.40 -3.43 115.31 106.24 1bja h LEU 61 Ca -0.04 -0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.49 1bja h LEU 61 Cb 0.14 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.70 1bja h LEU 61 CO 0.06 1.02 -0.76 -0.69 0.09 0.00 0.00 178.44 178.16 1bja s VAL 62 N -2.62 1.37 -0.05 1.22 1.01 -1.06 -0.83 120.40 119.44 1bja s VAL 62 Ca -0.04 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.18 1bja s VAL 62 Cb 0.08 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1bja s VAL 62 CO 0.82 -0.44 -0.06 -0.70 0.00 0.00 0.00 175.10 174.73 1bja s GLU 63 N -2.78 0.97 0.10 2.72 2.12 0.13 -4.08 118.70 117.89 1bja s GLU 63 Ca 0.10 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 1bja s GLU 63 Cb -0.04 -0.95 -0.09 0.00 0.26 0.00 0.00 34.13 33.31 1bja s GLU 63 CO 0.03 -0.08 1.55 0.21 -0.54 0.00 0.00 175.26 176.43 1bja s LYS 64 N 0.95 4.24 -0.32 4.30 2.47 -1.26 -0.98 119.74 129.13 1bja s LYS 64 Ca -0.10 2.25 -0.02 0.00 -1.56 0.00 0.00 55.97 56.54 1bja s LYS 64 Cb -0.14 -3.38 0.11 0.00 -1.46 0.00 0.00 37.83 32.96 1bja s LYS 64 CO 0.00 -0.62 0.15 0.45 0.16 0.00 0.00 175.35 175.49 1bja s SER 65 N 1.68 3.61 1.34 1.43 0.15 0.34 -4.92 113.70 117.32 1bja s SER 65 Ca 0.70 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1bja s SER 65 Cb -0.40 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1bja s SER 65 CO 0.31 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1bja n GLY 66 N 4.72 1.57 0.70 9.45 0.00 -1.26 -2.39 105.19 117.98 1bja n GLY 66 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.62 1bja n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bja n ASP 67 N 6.58 2.05 -1.90 1.61 5.75 -1.26 -4.97 116.55 124.41 1bja n ASP 67 Ca 0.00 -1.97 -0.07 0.00 -0.01 0.00 0.00 54.79 52.74 1bja n ASP 67 Cb 0.00 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 39.82 1bja n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bja n GLY 68 N 1.12 3.72 3.11 6.12 0.00 -1.01 -4.42 105.19 113.83 1bja n GLY 68 Ca 0.13 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 1bja n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bja s LEU 69 N 0.00 1.96 0.01 0.99 1.43 0.16 -0.50 118.68 122.72 1bja s LEU 69 Ca 0.11 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1bja s LEU 69 Cb 0.01 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.43 1bja s LEU 69 CO 0.08 0.16 -0.03 -0.51 0.23 0.00 0.00 176.35 176.27 1bja s ILE 70 N -0.16 0.25 0.54 -0.59 2.07 -0.15 -0.57 121.20 122.59 1bja s ILE 70 Ca 0.02 -0.31 -0.16 0.00 -1.41 0.00 0.00 60.65 58.78 1bja s ILE 70 Cb -0.08 -0.25 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 1bja s ILE 70 CO 0.00 -0.04 1.02 0.27 -1.91 0.00 0.00 174.94 174.28 1bja s ILE 71 N -0.36 4.19 0.70 2.00 -4.36 -1.26 0.22 121.20 122.33 1bja s ILE 71 Ca -0.02 1.07 0.00 0.00 -0.26 0.00 0.00 60.65 61.44 1bja s ILE 71 Cb -0.03 -3.56 0.12 0.00 1.25 0.00 0.00 42.46 40.24 1bja s ILE 71 CO -0.00 -0.58 0.97 0.42 0.24 0.00 0.00 174.94 175.99 1bja s THR 72 N -2.51 2.15 0.30 8.37 -4.23 -0.01 -4.82 115.64 114.89 1bja s THR 72 Ca 0.61 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1bja s THR 72 Cb -0.13 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.38 1bja s THR 72 CO 0.33 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.51 1bja h GLY 73 N -0.44 0.83 0.94 3.99 0.00 -1.89 -2.38 103.07 104.12 1bja h GLY 73 Ca -0.36 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 46.55 1bja h GLY 73 CO 0.40 0.42 0.60 -2.09 0.00 0.00 0.00 176.54 175.87 1bja h GLU 74 N 0.76 1.16 0.00 4.80 4.57 -1.91 -1.87 114.58 122.09 1bja h GLU 74 Ca 0.18 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1bja h GLU 74 Cb 0.22 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1bja h GLU 74 CO -0.01 0.77 -0.48 0.00 -1.18 0.00 0.00 179.01 178.11 1bja h ALA 75 N 1.36 1.04 -0.51 2.92 0.00 -1.72 -2.49 119.26 119.86 1bja h ALA 75 Ca 0.35 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bja h ALA 75 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bja h ALA 75 CO -0.10 0.60 0.09 0.37 0.00 0.00 0.00 179.25 180.21 1bja h GLN 76 N 0.00 0.84 0.30 0.00 -0.00 -0.84 -1.20 115.11 114.20 1bja h GLN 76 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1bja h GLN 76 Cb 0.95 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.30 1bja h GLN 76 CO 0.06 0.83 -0.38 -0.44 0.00 0.00 0.00 178.83 178.90 1bja h ASP 77 N 0.71 -1.05 -0.80 -0.69 5.19 -1.20 0.07 116.42 118.65 1bja h ASP 77 Ca 0.15 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 56.82 1bja h ASP 77 Cb 0.39 0.37 -0.10 0.00 0.18 0.00 0.00 39.33 40.17 1bja h ASP 77 CO 0.01 -0.50 0.35 0.40 -3.12 0.00 0.00 179.24 176.38 1bja h ILE 78 N -0.73 0.66 -0.01 0.35 2.04 -1.40 0.16 117.51 118.58 1bja h ILE 78 Ca -0.01 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1bja h ILE 78 Cb 0.68 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1bja h ILE 78 CO -0.11 0.09 -0.73 0.40 0.00 0.00 0.00 178.15 177.80 1bja h ILE 79 N 0.49 1.48 -0.10 -0.67 2.04 -0.98 -0.61 117.51 119.17 1bja h ILE 79 Ca 0.44 -2.39 -0.23 0.00 1.00 0.00 0.00 64.86 63.68 1bja h ILE 79 Cb 0.68 2.29 0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1bja h ILE 79 CO -0.40 0.69 -0.85 0.77 0.00 0.00 0.00 178.15 178.36 1bja h SER 80 N 0.06 0.88 -0.82 1.72 4.64 -0.58 -2.36 113.55 117.08 1bja h SER 80 Ca -0.02 -0.61 0.03 0.00 -0.47 0.00 0.00 61.79 60.72 1bja h SER 80 Cb 1.28 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 63.07 1bja h SER 80 CO 0.10 1.41 0.53 0.78 -0.87 0.00 0.00 176.83 178.78 1bja h ASN 81 N 0.47 0.89 -0.30 4.97 4.21 -0.76 0.16 115.58 125.22 1bja h ASN 81 Ca -0.07 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 1bja h ASN 81 Cb 1.48 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 1bja h ASN 81 CO 0.17 0.62 0.16 0.00 -1.29 0.00 0.00 177.43 177.09 1bja h ALA 82 N 1.33 0.38 -0.56 -0.83 0.00 -1.10 0.12 119.26 118.61 1bja h ALA 82 Ca 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1bja h ALA 82 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1bja h ALA 82 CO -0.10 -0.08 0.29 0.00 0.00 0.00 0.00 179.25 179.36 1bja h ALA 83 N 1.02 0.72 -0.27 0.00 0.00 -1.07 -2.21 119.26 117.45 1bja h ALA 83 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bja h ALA 83 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1bja h ALA 83 CO -0.02 0.27 0.14 1.15 0.00 0.00 0.00 179.25 180.79 1bja h THR 84 N 0.76 1.14 -0.29 0.00 2.02 -0.47 -0.19 112.91 115.89 1bja h THR 84 Ca 0.20 -0.39 0.06 0.00 0.77 0.00 0.00 66.41 67.05 1bja h THR 84 Cb 0.09 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1bja h THR 84 CO -0.03 0.14 -0.08 -0.07 0.37 0.00 0.00 175.52 175.86 1bja h LEU 85 N 0.31 -0.28 -0.86 2.58 3.38 -0.90 0.39 115.31 119.93 1bja h LEU 85 Ca 0.09 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1bja h LEU 85 Cb 0.10 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1bja h LEU 85 CO -0.01 -0.10 0.44 0.22 0.09 0.00 0.00 178.44 179.08 1bja h TYR 86 N -0.01 1.20 -0.28 1.13 3.20 -1.17 -2.20 116.97 118.84 1bja h TYR 86 Ca 0.14 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1bja h TYR 86 Cb 0.22 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1bja h TYR 86 CO -0.28 0.85 -0.16 0.00 -1.64 0.00 0.00 178.16 176.93 1bja h ALA 87 N 1.24 0.39 -0.05 1.82 0.00 -0.48 -1.71 119.26 120.47 1bja h ALA 87 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bja h ALA 87 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bja h ALA 87 CO -0.04 0.30 0.04 1.96 0.00 0.00 0.00 179.25 181.50 1bja h GLN 88 N 0.34 0.00 0.00 0.00 4.20 -0.42 0.50 115.11 119.72 1bja h GLN 88 Ca 0.06 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 1bja h GLN 88 Cb 0.68 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1bja h GLN 88 CO 0.05 0.00 -1.26 0.93 -0.67 0.00 0.00 178.83 177.87 1bja h GLU 89 N 0.00 0.00 -0.39 1.46 5.08 -1.11 -3.39 114.58 116.24 1bja h GLU 89 Ca 0.02 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 1bja h GLU 89 Cb 0.10 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.00 1bja h GLU 89 CO -0.00 0.38 -0.93 0.09 -1.00 0.00 0.00 179.01 177.55 1bja n ASN 90 N -2.99 2.46 -0.01 1.42 3.02 -0.67 -5.00 115.26 113.49 1bja n ASN 90 Ca -0.08 -2.77 -0.13 0.00 -0.03 0.00 0.00 54.58 51.56 1bja n ASN 90 Cb 0.85 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 1bja n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bja h ALA 91 N 1.97 -0.72 0.00 5.41 0.00 -1.13 -1.01 119.26 123.78 1bja h ALA 91 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bja h ALA 91 Cb 1.43 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 1bja h ALA 91 CO 0.31 -1.00 -0.00 -1.00 0.00 0.00 0.00 179.25 177.56 1bja h PRO 92 N -0.53 0.00 0.00 0.00 0.13 -1.95 -1.85 132.00 127.80 1bja h PRO 92 Ca 0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.08 1bja h PRO 92 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1bja h PRO 92 CO -0.42 0.00 -0.54 0.93 -0.23 0.00 0.00 178.00 177.74 1bja h GLU 93 N 0.00 0.00 -0.32 0.86 5.08 -1.62 -3.11 114.58 115.46 1bja h GLU 93 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1bja h GLU 93 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1bja h GLU 93 CO 0.00 0.54 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.03 1bja h LEU 94 N 0.00 0.91 -0.12 1.33 3.38 -0.62 -3.30 115.31 116.90 1bja h LEU 94 Ca -0.01 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1bja h LEU 94 Cb 1.15 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1bja h LEU 94 CO 0.07 1.22 -0.13 0.18 0.09 0.00 0.00 178.44 179.87 1bja n LEU 95 N -4.03 0.31 0.00 1.67 4.77 -1.15 -5.14 117.00 113.43 1bja n LEU 95 Ca -0.03 0.15 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1bja n LEU 95 Cb 0.57 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1bja n LEU 95 CO 0.49 0.06 0.32 1.17 -1.33 0.00 0.00 177.39 178.09