#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 4.00 0.25 -1.46 4.01 -1.26 -4.75 118.16 118.95 1bja n LYS 3 Ca 0.00 -2.96 0.13 0.00 -0.51 0.00 0.00 58.31 54.98 1bja n LYS 3 Cb 0.00 -2.56 0.61 0.00 -0.51 0.00 0.00 35.03 32.56 1bja n LYS 3 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1bja h VAL 4 N 2.55 0.37 -0.76 -0.18 -1.51 -1.94 -2.66 116.25 112.13 1bja h VAL 4 Ca 0.67 -0.79 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 1bja h VAL 4 Cb 0.42 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1bja h VAL 4 CO 1.39 0.13 0.27 0.74 -1.23 0.00 0.00 177.57 178.86 1bja h THR 5 N 0.00 1.26 -0.73 7.19 2.02 -1.98 0.29 112.91 120.96 1bja h THR 5 Ca -0.00 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1bja h THR 5 Cb 0.57 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1bja h THR 5 CO 0.02 0.35 0.22 1.88 0.37 0.00 0.00 175.52 178.36 1bja h TYR 6 N 1.12 1.17 0.11 3.16 0.05 -1.83 -1.76 116.97 118.99 1bja h TYR 6 Ca 0.25 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1bja h TYR 6 Cb 0.27 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1bja h TYR 6 CO 0.02 0.93 -0.05 0.82 -1.05 0.00 0.00 178.16 178.83 1bja h ILE 7 N 1.09 1.05 -0.62 -2.88 1.08 -1.22 -0.83 117.51 115.18 1bja h ILE 7 Ca 0.24 -0.66 0.14 0.00 -0.39 0.00 0.00 64.86 64.18 1bja h ILE 7 Cb 0.31 1.47 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 1bja h ILE 7 CO -0.01 0.16 0.42 0.40 -0.69 0.00 0.00 178.15 178.44 1bja h ILE 8 N -0.46 0.80 0.36 -0.67 2.04 -0.48 -0.56 117.51 118.53 1bja h ILE 8 Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1bja h ILE 8 Cb 0.38 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1bja h ILE 8 CO 0.03 0.04 -0.17 0.50 0.00 0.00 0.00 178.15 178.55 1bja h LYS 9 N 0.24 -0.46 -0.00 2.37 3.11 -0.78 -1.13 116.57 119.92 1bja h LYS 9 Ca 0.30 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.17 1bja h LYS 9 Cb 0.83 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1bja h LYS 9 CO -0.06 -0.19 0.06 0.00 -2.81 0.00 0.00 179.45 176.45 1bja h ALA 10 N -0.82 1.10 -0.20 5.00 0.00 -0.71 -0.17 119.26 123.47 1bja h ALA 10 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bja h ALA 10 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bja h ALA 10 CO 0.08 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1bja n SER 11 N -3.10 1.41 -3.25 0.00 3.41 -0.26 -4.86 113.62 106.97 1bja n SER 11 Ca -0.03 -1.80 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 1bja n SER 11 Cb 0.13 -0.13 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.20 -3.76 -1.50 4.04 2.85 -0.07 -2.06 115.26 114.96 1bja n ASN 12 Ca 0.13 -0.32 -0.14 0.00 -0.11 0.00 0.00 54.58 54.14 1bja n ASN 12 Cb 0.26 -3.12 -0.02 0.00 1.24 0.00 0.00 39.78 38.15 1bja n ASN 12 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1bja n ASP 13 N -2.24 -4.35 0.08 1.20 8.00 -0.44 -4.88 116.55 113.92 1bja n ASP 13 Ca -0.03 0.05 -0.04 0.00 0.71 0.00 0.00 54.79 55.48 1bja n ASP 13 Cb 0.55 -3.44 -0.08 0.00 -0.02 0.00 0.00 41.12 38.12 1bja n ASP 13 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1bja h VAL 14 N 0.00 1.42 -2.97 2.53 -1.51 -1.66 -3.45 116.25 110.61 1bja h VAL 14 Ca -0.32 -3.04 -0.62 0.00 -1.23 0.00 0.00 66.70 61.49 1bja h VAL 14 Cb 1.19 2.70 -0.06 0.00 -2.13 0.00 0.00 31.29 32.99 1bja h VAL 14 CO 0.40 0.81 -0.24 -0.76 -1.23 0.00 0.00 177.57 176.55 1bja s LEU 15 N -6.59 4.46 0.00 4.19 1.43 -1.26 -5.10 118.68 115.81 1bja s LEU 15 Ca 0.01 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1bja s LEU 15 Cb 0.09 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1bja s LEU 15 CO 0.80 0.33 0.21 -0.46 0.23 0.00 0.00 176.35 177.46 1bja n ASN 16 N 1.88 0.61 0.29 2.29 0.23 -1.26 -4.73 115.26 114.56 1bja n ASN 16 Ca -0.15 -1.41 0.18 0.00 -0.53 0.00 0.00 54.58 52.67 1bja n ASN 16 Cb 0.53 -0.11 0.87 0.00 -2.08 0.00 0.00 39.78 38.99 1bja n ASN 16 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bja h GLU 17 N 0.00 0.00 0.04 -3.83 3.07 -1.99 -1.80 114.58 110.07 1bja h GLU 17 Ca -0.07 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.49 1bja h GLU 17 Cb 0.33 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1bja h GLU 17 CO 0.10 0.03 -1.62 1.63 -1.40 0.00 0.00 179.01 177.76 1bja n LYS 18 N -3.20 0.63 0.23 2.33 5.02 -1.26 -2.63 118.16 119.28 1bja n LYS 18 Ca -0.01 0.45 0.09 0.00 -2.02 0.00 0.00 58.31 56.82 1bja n LYS 18 Cb 0.22 -1.71 0.53 0.00 -0.02 0.00 0.00 35.03 34.04 1bja n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bja h THR 19 N -0.66 0.72 -0.08 -0.18 1.03 -1.90 -2.11 112.91 109.72 1bja h THR 19 Ca -0.41 -0.99 -0.11 0.00 -0.01 0.00 0.00 66.41 64.90 1bja h THR 19 Cb 1.56 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 70.27 1bja h THR 19 CO -0.14 0.23 -0.38 0.00 -0.01 0.00 0.00 175.52 175.22 1bja h ALA 20 N 1.77 0.16 -0.19 0.00 0.00 -1.44 -2.22 119.26 117.34 1bja h ALA 20 Ca -0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1bja h ALA 20 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bja h ALA 20 CO 0.03 0.25 -0.41 0.00 0.00 0.00 0.00 179.25 179.12 1bja h THR 21 N -0.06 1.31 -0.29 0.00 1.03 -1.34 -2.62 112.91 110.94 1bja h THR 21 Ca -0.02 -1.56 -0.13 0.00 -0.01 0.00 0.00 66.41 64.69 1bja h THR 21 Cb 1.02 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.70 1bja h THR 21 CO 0.08 0.48 -0.34 0.40 -0.01 0.00 0.00 175.52 176.13 1bja h ILE 22 N 0.37 1.29 -0.95 0.00 2.04 -1.46 -2.94 117.51 115.85 1bja h ILE 22 Ca 0.03 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.45 1bja h ILE 22 Cb 0.87 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1bja h ILE 22 CO 0.07 0.47 0.62 0.25 0.00 0.00 0.00 178.15 179.57 1bja h LEU 23 N 0.53 1.03 -0.44 1.44 5.85 -1.20 -2.58 115.31 119.94 1bja h LEU 23 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1bja h LEU 23 Cb 0.84 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1bja h LEU 23 CO 0.07 0.71 0.05 0.40 -0.34 0.00 0.00 178.44 179.34 1bja h ILE 24 N 1.20 1.25 -0.64 4.05 1.08 -1.30 -1.75 117.51 121.40 1bja h ILE 24 Ca 0.38 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 1bja h ILE 24 Cb -0.00 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 1bja h ILE 24 CO -0.12 0.32 0.37 0.74 -0.69 0.00 0.00 178.15 178.77 1bja h THR 25 N 0.60 1.01 -0.26 -0.27 2.02 -1.32 -2.02 112.91 112.67 1bja h THR 25 Ca 0.13 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1bja h THR 25 Cb 0.41 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1bja h THR 25 CO 0.01 0.13 -0.42 0.40 0.37 0.00 0.00 175.52 176.01 1bja h ILE 26 N 0.70 1.30 -0.05 3.11 2.04 -1.45 -2.90 117.51 120.26 1bja h ILE 26 Ca 0.27 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.51 1bja h ILE 26 Cb 0.12 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1bja h ILE 26 CO -0.15 0.51 -0.09 0.00 0.00 0.00 0.00 178.15 178.42 1bja h ALA 27 N 1.01 1.77 0.00 1.87 0.00 -0.96 -2.65 119.26 120.29 1bja h ALA 27 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1bja h ALA 27 Cb 0.94 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bja h ALA 27 CO 0.09 0.18 -0.52 -0.22 0.00 0.00 0.00 179.25 178.77 1bja h LYS 28 N 0.07 0.00 -2.57 0.00 3.64 -1.17 -3.43 116.57 113.11 1bja h LYS 28 Ca 0.01 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.00 1bja h LYS 28 Cb 0.20 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.66 1bja h LYS 28 CO 0.01 0.15 -0.68 0.21 -2.27 0.00 0.00 179.45 176.87 1bja s LYS 29 N -3.16 0.20 0.28 1.90 2.20 -1.00 -5.11 119.74 115.06 1bja s LYS 29 Ca 0.03 -0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 1bja s LYS 29 Cb 0.07 -1.16 -0.12 0.00 -1.51 0.00 0.00 37.83 35.11 1bja s LYS 29 CO 0.73 -0.83 1.56 -0.25 -0.36 0.00 0.00 175.35 176.20 1bja n ASP 30 N 5.30 3.61 -0.60 1.43 8.00 -1.26 -2.70 116.55 130.32 1bja n ASP 30 Ca -0.05 1.14 -0.08 0.00 0.71 0.00 0.00 54.79 56.52 1bja n ASP 30 Cb 0.47 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.98 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 2.12 0.00 -1.48 1.24 3.72 -0.88 -4.98 117.46 117.19 1bja n PHE 31 Ca 0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 1bja n PHE 31 Cb 0.35 -1.79 0.08 0.00 -0.94 0.00 0.00 39.48 37.19 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 -2.62 3.56 -3.40 4.37 3.06 -1.10 -4.12 119.36 119.11 1bja n ILE 32 Ca -0.08 -0.41 -0.19 0.00 -2.50 0.00 0.00 62.75 59.58 1bja n ILE 32 Cb 0.33 -1.26 -0.01 0.00 0.54 0.00 0.00 39.64 39.25 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 -1.68 3.60 0.34 9.51 -4.23 -1.26 0.57 115.64 122.49 1bja s THR 33 Ca 0.77 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1bja s THR 33 Cb -0.36 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.46 1bja s THR 33 CO 0.46 -0.11 1.94 0.00 -0.54 0.00 0.00 174.62 176.37 1bja h ALA 34 N 0.88 1.44 -0.19 3.99 0.00 -1.95 -1.82 119.26 121.61 1bja h ALA 34 Ca -0.44 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1bja h ALA 34 Cb 1.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1bja h ALA 34 CO 0.52 0.43 -0.26 0.00 0.00 0.00 0.00 179.25 179.94 1bja h ALA 35 N 1.53 1.20 0.05 0.00 0.00 -1.95 -1.15 119.26 118.94 1bja h ALA 35 Ca 0.17 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 1bja h ALA 35 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1bja h ALA 35 CO -0.02 0.52 -1.13 1.49 0.00 0.00 0.00 179.25 180.11 1bja h GLU 36 N 0.32 0.10 -0.81 0.00 4.81 -1.82 -3.06 114.58 114.13 1bja h GLU 36 Ca 0.05 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1bja h GLU 36 Cb 0.63 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1bja h GLU 36 CO 0.05 1.06 0.53 0.28 -0.73 0.00 0.00 179.01 180.20 1bja h VAL 37 N 0.03 1.13 -0.30 0.32 2.07 -0.90 -2.62 116.25 115.97 1bja h VAL 37 Ca -0.07 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 1bja h VAL 37 Cb 1.86 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1bja h VAL 37 CO 0.15 0.18 -0.27 0.03 0.02 0.00 0.00 177.57 177.69 1bja h ARG 38 N 1.00 0.61 0.00 1.57 3.08 -1.23 -3.14 114.38 116.27 1bja h ARG 38 Ca 0.32 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 1bja h ARG 38 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1bja h ARG 38 CO -0.09 0.81 -0.65 1.49 -1.07 0.00 0.00 179.97 180.46 1bja h GLU 39 N 0.53 0.00 -0.09 0.04 4.81 -1.37 -2.72 114.58 115.78 1bja h GLU 39 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1bja h GLU 39 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1bja h GLU 39 CO 0.06 0.65 0.00 1.33 -0.73 0.00 0.00 179.01 180.32 1bja n VAL 40 N -3.46 0.10 -3.21 0.32 0.24 -1.07 -4.11 118.33 107.14 1bja n VAL 40 Ca 0.00 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.79 1bja n VAL 40 Cb 0.72 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 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 0.07 2.41 -0.12 6.34 8.25 -1.03 -4.90 115.22 126.25 1bja n HIS 41 Ca 0.17 -3.94 0.11 0.00 -0.26 0.00 0.00 57.72 53.80 1bja n HIS 41 Cb 0.30 -0.48 0.46 0.00 1.12 0.00 0.00 29.99 31.39 1bja n HIS 41 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bja h PRO 42 N 3.66 0.48 -0.96 -0.41 0.13 -1.71 -0.59 132.00 132.60 1bja h PRO 42 Ca 0.14 -0.03 0.28 0.00 -0.87 0.00 0.00 66.00 65.52 1bja h PRO 42 Cb 0.71 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.69 1bja h PRO 42 CO 0.71 0.32 0.78 0.38 -0.23 0.00 0.00 178.00 179.95 1bja h ASP 43 N 0.49 0.00 -2.96 1.44 2.03 -1.91 -3.42 116.42 112.08 1bja h ASP 43 Ca 0.30 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.99 1bja h ASP 43 Cb 0.53 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.92 1bja h ASP 43 CO -0.09 0.00 -0.64 -0.76 -1.03 0.00 0.00 179.24 176.72 1bja s LEU 44 N -7.94 3.47 0.49 0.15 1.43 -0.23 -5.09 118.68 110.95 1bja s LEU 44 Ca -0.05 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 1bja s LEU 44 Cb 0.20 -2.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 1bja s LEU 44 CO 0.70 0.11 1.29 -0.83 0.23 0.00 0.00 176.35 177.85 1bja s GLY 45 N -2.81 2.86 0.28 -3.19 0.00 -1.26 -4.88 107.32 98.32 1bja s GLY 45 Ca 0.28 1.20 -0.02 0.00 0.00 0.00 0.00 44.72 46.18 1bja s GLY 45 CO 0.20 1.71 1.87 3.43 0.00 0.00 0.00 173.10 180.31 1bja h ASN 46 N 1.92 0.86 1.78 1.64 4.21 -1.94 0.56 115.58 124.61 1bja h ASN 46 Ca -0.50 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 56.90 1bja h ASN 46 Cb 1.27 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1bja h ASN 46 CO 0.59 0.75 -0.10 0.00 -1.29 0.00 0.00 177.43 177.39 1bja h ALA 47 N 1.37 0.95 -0.19 -0.83 0.00 -1.99 -2.82 119.26 115.75 1bja h ALA 47 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bja h ALA 47 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bja h ALA 47 CO -0.02 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.46 1bja h VAL 48 N 0.00 1.29 -0.61 0.00 2.07 -1.33 -1.86 116.25 115.81 1bja h VAL 48 Ca 0.00 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1bja h VAL 48 Cb 0.94 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1bja h VAL 48 CO 0.00 0.31 0.39 0.58 0.02 0.00 0.00 177.57 178.87 1bja h VAL 49 N 0.08 1.12 -0.65 2.57 2.07 -1.01 -1.52 116.25 118.91 1bja h VAL 49 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1bja h VAL 49 Cb 0.50 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1bja h VAL 49 CO 0.02 0.14 0.36 0.78 0.02 0.00 0.00 177.57 178.90 1bja h ASN 50 N 0.79 0.81 0.04 0.57 2.35 -1.52 0.10 115.58 118.72 1bja h ASN 50 Ca 0.24 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1bja h ASN 50 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1bja h ASN 50 CO -0.07 0.66 -0.08 0.28 -1.65 0.00 0.00 177.43 176.57 1bja h SER 51 N 0.89 -0.21 1.04 5.81 0.02 -1.19 -1.48 113.55 118.43 1bja h SER 51 Ca 0.23 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1bja h SER 51 Cb 0.03 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1bja h SER 51 CO -0.04 -0.12 -0.32 0.78 -1.14 0.00 0.00 176.83 175.99 1bja h ASN 52 N -0.15 0.00 -0.63 3.07 2.35 -0.88 0.72 115.58 120.06 1bja h ASN 52 Ca 0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1bja h ASN 52 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1bja h ASN 52 CO -0.05 0.32 0.09 0.40 -1.65 0.00 0.00 177.43 176.54 1bja h ILE 53 N 0.00 1.26 -0.47 2.81 2.04 -0.63 -2.21 117.51 120.32 1bja h ILE 53 Ca -0.00 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 1bja h ILE 53 Cb 0.93 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1bja h ILE 53 CO 0.04 0.39 -0.13 1.23 0.00 0.00 0.00 178.15 179.68 1bja h GLY 54 N 0.97 0.94 2.00 5.37 0.00 0.05 -1.61 103.07 110.78 1bja h GLY 54 Ca 0.19 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1bja h GLY 54 CO 0.01 0.67 -0.09 -2.08 0.00 0.00 0.00 176.54 175.05 1bja h VAL 55 N 0.77 0.85 0.00 4.60 2.07 -0.81 -0.94 116.25 122.79 1bja h VAL 55 Ca 0.12 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 1bja h VAL 55 Cb 0.64 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1bja h VAL 55 CO 0.04 0.09 -0.94 -0.07 0.02 0.00 0.00 177.57 176.72 1bja h LEU 56 N 0.00 0.00 -0.23 2.57 3.38 -0.71 -3.06 115.31 117.26 1bja h LEU 56 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1bja h LEU 56 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1bja h LEU 56 CO 0.01 0.84 -0.91 0.40 0.09 0.00 0.00 178.44 178.87 1bja h ILE 57 N 0.00 1.52 0.00 1.22 2.04 -0.67 -0.98 117.51 120.64 1bja h ILE 57 Ca -0.04 -2.74 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1bja h ILE 57 Cb 1.67 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1bja h ILE 57 CO 0.10 0.80 0.00 1.17 0.00 0.00 0.00 178.15 180.22 1bja n LYS 58 N -3.61 0.45 -0.00 2.37 4.81 -0.42 -2.87 118.16 118.89 1bja n LYS 58 Ca -0.03 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.51 1bja n LYS 58 Cb 0.84 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.31 1bja n LYS 58 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1bja n LYS 59 N -1.22 2.37 -0.69 1.64 5.02 -1.16 -4.99 118.16 119.13 1bja n LYS 59 Ca 0.13 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1bja n LYS 59 Cb 0.17 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.43 1.06 0.10 0.72 0.00 -1.14 -4.94 105.19 102.41 1bja n GLY 60 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1bja n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bja n LEU 61 N 0.00 1.93 -4.28 0.99 4.77 -0.86 -4.47 117.00 115.08 1bja n LEU 61 Ca 0.00 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.67 1bja n LEU 61 Cb 0.13 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 1bja n LEU 61 CO 0.00 0.70 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.55 1bja s VAL 62 N -2.41 1.68 0.06 4.08 1.01 -0.43 0.14 120.40 124.54 1bja s VAL 62 Ca -0.21 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.28 1bja s VAL 62 Cb 0.06 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1bja s VAL 62 CO 0.55 -0.06 -0.09 -1.83 0.00 0.00 0.00 175.10 173.68 1bja s GLU 63 N -1.87 0.64 -0.03 2.72 -1.05 -0.40 -3.87 118.70 114.84 1bja s GLU 63 Ca 0.06 -0.91 -0.22 0.00 -0.15 0.00 0.00 54.97 53.75 1bja s GLU 63 Cb -0.10 -0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.17 1bja s GLU 63 CO 0.04 0.06 0.65 -1.59 0.95 0.00 0.00 175.26 175.37 1bja s LYS 64 N -2.04 4.39 -0.48 -4.83 -2.85 -1.26 -2.08 119.74 110.58 1bja s LYS 64 Ca -0.04 0.81 -0.05 0.00 -1.00 0.00 0.00 55.97 55.69 1bja s LYS 64 Cb -0.07 -3.39 0.13 0.00 -2.06 0.00 0.00 37.83 32.43 1bja s LYS 64 CO -0.00 0.22 0.31 0.45 0.10 0.00 0.00 175.35 176.43 1bja s SER 65 N 0.29 5.44 1.30 0.03 0.15 0.10 -4.97 113.70 116.04 1bja s SER 65 Ca 0.34 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.82 1bja s SER 65 Cb -0.18 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1bja s SER 65 CO 0.18 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1bja n GLY 66 N 4.46 0.68 0.00 9.45 0.00 -1.26 -1.37 105.19 117.15 1bja n GLY 66 Ca -0.02 0.54 0.09 0.00 0.00 0.00 0.00 46.02 46.64 1bja n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bja n ASP 67 N 9.28 0.82 -4.91 1.61 2.03 -1.26 -5.00 116.55 119.12 1bja n ASP 67 Ca 0.00 -0.73 -0.21 0.00 0.52 0.00 0.00 54.79 54.37 1bja n ASP 67 Cb 0.00 1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 41.56 1bja n ASP 67 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1bja s GLY 68 N -3.04 1.56 -0.07 0.27 0.00 -0.47 -4.57 107.32 101.00 1bja s GLY 68 Ca 0.04 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1bja s GLY 68 CO 0.76 -1.44 -0.14 1.08 0.00 0.00 0.00 173.10 173.36 1bja s LEU 69 N -4.02 2.73 -0.04 0.66 1.43 0.19 0.00 118.68 119.64 1bja s LEU 69 Ca 0.40 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1bja s LEU 69 Cb -0.08 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1bja s LEU 69 CO 0.28 0.30 0.21 -0.51 0.23 0.00 0.00 176.35 176.86 1bja s ILE 70 N -0.43 0.04 0.14 -0.59 2.07 -0.89 -2.07 121.20 119.47 1bja s ILE 70 Ca 0.05 -0.34 -0.14 0.00 -1.41 0.00 0.00 60.65 58.82 1bja s ILE 70 Cb -0.12 -0.42 -0.07 0.00 0.13 0.00 0.00 42.46 41.98 1bja s ILE 70 CO 0.02 -0.19 0.53 0.27 -1.91 0.00 0.00 174.94 173.66 1bja s ILE 71 N -0.70 4.89 0.80 2.00 -4.36 -1.26 -1.28 121.20 121.29 1bja s ILE 71 Ca -0.08 0.78 -0.12 0.00 -0.26 0.00 0.00 60.65 60.97 1bja s ILE 71 Cb -0.04 -3.72 0.07 0.00 1.25 0.00 0.00 42.46 40.02 1bja s ILE 71 CO 0.02 0.24 1.15 0.42 0.24 0.00 0.00 174.94 177.01 1bja s THR 72 N -1.46 2.36 0.22 8.37 -4.23 0.12 -4.88 115.64 116.13 1bja s THR 72 Ca 0.37 0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.91 1bja s THR 72 Cb -0.15 -3.07 0.16 0.00 1.34 0.00 0.00 72.50 70.78 1bja s THR 72 CO 0.19 -0.15 1.84 1.23 -0.54 0.00 0.00 174.62 177.19 1bja h GLY 73 N -1.03 1.08 -0.21 3.99 0.00 -1.88 -1.88 103.07 103.14 1bja h GLY 73 Ca -0.46 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 46.62 1bja h GLY 73 CO 0.65 0.25 -0.31 -2.09 0.00 0.00 0.00 176.54 175.03 1bja h GLU 74 N 0.85 -0.21 -1.00 4.80 4.81 -1.92 -2.06 114.58 119.85 1bja h GLU 74 Ca 0.31 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 1bja h GLU 74 Cb 0.10 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 1bja h GLU 74 CO -0.14 -0.14 0.64 0.00 -0.73 0.00 0.00 179.01 178.64 1bja h ALA 75 N 0.86 1.44 0.00 2.92 0.00 -1.61 -0.68 119.26 122.19 1bja h ALA 75 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bja h ALA 75 Cb 0.53 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bja h ALA 75 CO -0.57 0.38 0.00 0.94 0.00 0.00 0.00 179.25 180.00 1bja n GLN 76 N -4.53 0.17 -0.00 0.00 -0.06 -0.77 -1.81 117.38 110.38 1bja n GLN 76 Ca 0.16 0.26 -0.17 0.00 -2.00 0.00 0.00 57.00 55.26 1bja n GLN 76 Cb 0.23 -1.75 -0.10 0.00 -4.06 0.00 0.00 30.24 24.56 1bja n GLN 76 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1bja h ASP 77 N 0.00 0.56 -0.61 1.69 5.19 -0.47 -2.11 116.42 120.68 1bja h ASP 77 Ca 0.00 -0.73 0.02 0.00 -0.62 0.00 0.00 57.03 55.70 1bja h ASP 77 Cb 0.52 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 1bja h ASP 77 CO 0.00 1.22 0.38 0.40 -3.12 0.00 0.00 179.24 178.12 1bja h ILE 78 N -0.04 1.09 -0.51 0.35 2.04 -1.36 -0.43 117.51 118.66 1bja h ILE 78 Ca -0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1bja h ILE 78 Cb 1.29 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1bja h ILE 78 CO 0.12 0.14 0.21 0.40 0.00 0.00 0.00 178.15 179.02 1bja h ILE 79 N 0.77 1.21 0.01 -0.67 1.08 -1.38 0.50 117.51 119.02 1bja h ILE 79 Ca 0.24 -0.64 -0.26 0.00 -0.39 0.00 0.00 64.86 63.82 1bja h ILE 79 Cb -0.01 0.68 0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1bja h ILE 79 CO -0.09 0.24 -1.02 -1.28 -0.69 0.00 0.00 178.15 175.31 1bja h SER 80 N 0.68 0.78 0.36 1.72 0.87 -1.05 -1.15 113.55 115.75 1bja h SER 80 Ca 0.17 -0.63 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1bja h SER 80 Cb 0.18 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1bja h SER 80 CO -0.02 1.43 -0.39 0.78 -0.53 0.00 0.00 176.83 178.10 1bja h ASN 81 N 0.33 -1.07 -0.61 6.23 2.35 -1.09 -1.97 115.58 119.75 1bja h ASN 81 Ca -0.12 0.09 0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1bja h ASN 81 Cb 1.67 0.37 -0.09 0.00 0.05 0.00 0.00 38.32 40.32 1bja h ASN 81 CO 0.19 -0.53 0.11 0.00 -1.65 0.00 0.00 177.43 175.56 1bja h ALA 82 N -0.37 0.71 0.00 -0.83 0.00 -0.84 -1.41 119.26 116.53 1bja h ALA 82 Ca -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1bja h ALA 82 Cb 0.71 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1bja h ALA 82 CO -0.09 -0.32 -0.51 0.00 0.00 0.00 0.00 179.25 178.33 1bja h ALA 83 N 1.50 0.99 -0.13 0.00 0.00 -1.14 -1.76 119.26 118.71 1bja h ALA 83 Ca 0.32 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1bja h ALA 83 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bja h ALA 83 CO -0.42 0.64 -0.39 1.15 0.00 0.00 0.00 179.25 180.22 1bja h THR 84 N 0.00 1.36 -0.16 0.00 2.02 -0.51 -0.59 112.91 115.04 1bja h THR 84 Ca -0.01 -1.69 0.03 0.00 0.77 0.00 0.00 66.41 65.51 1bja h THR 84 Cb 1.01 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 69.45 1bja h THR 84 CO 0.07 0.51 -0.43 -0.07 0.37 0.00 0.00 175.52 175.96 1bja h LEU 85 N 0.11 -1.38 -0.08 2.58 3.38 -1.13 -1.75 115.31 117.04 1bja h LEU 85 Ca -0.01 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1bja h LEU 85 Cb 1.01 0.55 -0.05 0.00 0.09 0.00 0.00 40.66 42.26 1bja h LEU 85 CO 0.08 -0.36 -0.23 0.22 0.09 0.00 0.00 178.44 178.24 1bja h TYR 86 N -0.42 -0.61 -0.84 1.13 3.20 -1.37 -2.58 116.97 115.49 1bja h TYR 86 Ca 0.03 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.05 1bja h TYR 86 Cb 0.52 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1bja h TYR 86 CO -0.59 -0.31 0.55 0.00 -1.64 0.00 0.00 178.16 176.16 1bja h ALA 87 N 0.61 1.83 -0.00 1.82 0.00 -0.94 0.13 119.26 122.71 1bja h ALA 87 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1bja h ALA 87 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1bja h ALA 87 CO -0.26 -0.03 -0.74 1.96 0.00 0.00 0.00 179.25 180.18 1bja h GLN 88 N 0.68 0.01 0.00 0.00 4.20 -1.05 -1.68 115.11 117.28 1bja h GLN 88 Ca 0.41 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1bja h GLN 88 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1bja h GLN 88 CO -0.17 0.74 0.00 0.93 -0.67 0.00 0.00 178.83 179.67 1bja h GLU 89 N 0.01 0.00 0.00 1.46 5.08 -0.39 -3.26 114.58 117.48 1bja h GLU 89 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1bja h GLU 89 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1bja h GLU 89 CO 0.10 0.00 -0.02 0.09 -1.00 0.00 0.00 179.01 178.18 1bja n ASN 90 N -2.43 1.91 -0.19 1.42 4.13 -0.74 -4.91 115.26 114.46 1bja n ASN 90 Ca 0.05 -2.32 -0.00 0.00 1.68 0.00 0.00 54.58 53.99 1bja n ASN 90 Cb 0.44 -0.16 0.09 0.00 -1.54 0.00 0.00 39.78 38.61 1bja n ASN 90 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bja h ALA 91 N 0.00 0.63 0.00 5.41 0.00 -1.35 0.82 119.26 124.77 1bja h ALA 91 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1bja h ALA 91 Cb 0.75 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bja h ALA 91 CO 0.00 -0.34 -0.08 -1.00 0.00 0.00 0.00 179.25 177.83 1bja h PRO 92 N 0.20 0.00 0.10 0.00 0.13 -1.90 -1.31 132.00 129.22 1bja h PRO 92 Ca 0.30 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.16 1bja h PRO 92 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.58 1bja h PRO 92 CO -0.42 0.08 -1.18 0.93 -0.23 0.00 0.00 178.00 177.19 1bja h GLU 93 N 0.00 0.31 0.00 0.86 3.07 -1.27 -3.33 114.58 114.22 1bja h GLU 93 Ca -0.00 -0.47 -0.21 0.00 -0.50 0.00 0.00 59.36 58.17 1bja h GLU 93 Cb 0.58 0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1bja h GLU 93 CO 0.01 1.20 -0.91 -0.07 -1.40 0.00 0.00 179.01 177.84 1bja h LEU 94 N 0.11 0.41 -0.33 1.33 3.38 -0.52 -3.37 115.31 116.32 1bja h LEU 94 Ca -0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1bja h LEU 94 Cb 1.89 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1bja h LEU 94 CO 0.20 1.13 -0.14 0.18 0.09 0.00 0.00 178.44 179.90 1bja n LEU 95 N -3.71 0.65 0.00 1.67 4.32 -0.57 -5.11 117.00 114.25 1bja n LEU 95 Ca -0.05 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1bja n LEU 95 Cb 0.82 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1bja n LEU 95 CO 0.50 0.12 0.24 0.29 -1.22 0.00 0.00 177.39 177.32