#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj0 n ALA 2 N 0.00 -2.71 -1.24 3.04 0.00 -1.26 -5.06 120.51 113.28 2aj0 n ALA 2 Ca 0.00 -0.67 -0.27 0.00 0.00 0.00 0.00 53.44 52.50 2aj0 n ALA 2 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 19.45 16.75 2aj0 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2aj0 n GLU 3 N 1.03 2.99 -3.92 0.00 -0.58 -1.26 -4.76 120.64 114.15 2aj0 n GLU 3 Ca 0.01 -1.80 -0.12 0.00 -0.42 0.00 0.00 57.16 54.83 2aj0 n GLU 3 Cb 0.71 -2.42 -0.14 0.00 -0.57 0.00 0.00 31.44 29.02 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2aj0 s LYS 4 N 1.24 0.09 -0.14 3.49 -2.85 -1.26 -1.13 119.74 119.19 2aj0 s LYS 4 Ca 0.67 -0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 55.41 2aj0 s LYS 4 Cb 0.25 -0.03 0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2aj0 s LYS 4 CO -0.05 0.01 0.38 0.99 0.10 0.00 0.00 175.35 176.78 2aj0 s THR 5 N -0.20 0.00 -0.00 3.79 2.01 0.02 -4.99 115.64 116.27 2aj0 s THR 5 Ca -0.02 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2aj0 s THR 5 Cb -0.01 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2aj0 s THR 5 CO -0.00 -0.01 -0.16 0.54 -0.69 0.00 0.00 174.62 174.29 2aj0 s VAL 6 N 0.11 1.30 0.14 3.82 0.11 -1.26 -0.49 120.40 124.13 2aj0 s VAL 6 Ca -0.01 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.34 2aj0 s VAL 6 Cb -0.03 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2aj0 s VAL 6 CO 0.01 0.32 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.65 2aj0 s TYR 7 N -0.46 1.45 -0.22 1.54 1.51 -0.34 -4.46 117.35 116.37 2aj0 s TYR 7 Ca 0.06 -0.57 -0.21 0.00 -1.01 0.00 0.00 57.07 55.34 2aj0 s TYR 7 Cb -0.07 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2aj0 s TYR 7 CO -0.00 0.18 0.65 0.50 -1.11 0.00 0.00 175.55 175.76 2aj0 s ARG 8 N -2.91 4.18 -0.05 -0.62 3.52 0.18 -0.58 118.95 122.66 2aj0 s ARG 8 Ca 0.12 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.37 2aj0 s ARG 8 Cb -0.04 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2aj0 s ARG 8 CO 0.03 -0.32 -0.12 0.54 -0.81 0.00 0.00 175.30 174.63 2aj0 s VAL 9 N 2.17 3.25 0.19 7.11 0.11 -1.25 -0.58 120.40 131.39 2aj0 s VAL 9 Ca 0.28 -0.66 -0.15 0.00 -2.93 0.00 0.00 61.98 58.52 2aj0 s VAL 9 Cb -0.16 -2.29 0.02 0.00 -1.53 0.00 0.00 36.38 32.42 2aj0 s VAL 9 CO 0.10 0.59 0.45 -1.81 -3.33 0.00 0.00 175.10 171.09 2aj0 s ASP 10 N -0.78 -0.17 0.00 3.54 1.01 -1.26 -3.58 116.67 115.43 2aj0 s ASP 10 Ca 0.12 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.78 2aj0 s ASP 10 Cb -0.11 0.54 0.00 0.00 1.01 0.00 0.00 42.92 44.36 2aj0 s ASP 10 CO 0.01 -1.01 0.00 0.61 0.21 0.00 0.00 175.17 174.99 2aj0 n GLY 11 N -0.30 3.03 3.43 0.21 0.00 -1.26 -3.95 105.19 106.34 2aj0 n GLY 11 Ca -0.09 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 2aj0 n GLY 11 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aj0 s LEU 12 N 0.00 0.21 -0.41 0.99 -0.00 -1.26 -5.06 118.68 113.15 2aj0 s LEU 12 Ca 0.00 1.30 0.03 0.00 -0.00 0.00 0.00 54.13 55.46 2aj0 s LEU 12 Cb 0.00 -3.06 0.27 0.00 -0.00 0.00 0.00 46.19 43.41 2aj0 s LEU 12 CO 0.00 -4.58 1.11 -1.54 -0.00 0.00 0.00 176.35 171.34 2aj0 n SER 13 N -5.15 -2.03 -3.64 1.48 3.41 -1.26 -4.71 113.62 101.72 2aj0 n SER 13 Ca 0.05 -2.60 -0.10 0.00 -0.26 0.00 0.00 58.87 55.96 2aj0 n SER 13 Cb 0.56 1.34 -0.07 0.00 -0.26 0.00 0.00 64.21 65.78 2aj0 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aj0 h THR 15 N 4.63 0.81 -0.70 0.00 2.02 -1.98 0.10 112.91 117.78 2aj0 h THR 15 Ca -0.30 -0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.01 2aj0 h THR 15 Cb 1.20 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 2aj0 h THR 15 CO 0.12 0.00 0.25 0.78 0.37 0.00 0.00 175.52 177.04 2aj0 h ASN 16 N 0.01 0.19 -0.31 4.18 2.35 -1.99 0.12 115.58 120.14 2aj0 h ASN 16 Ca 0.10 0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 2aj0 h ASN 16 Cb 0.14 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2aj0 h ASN 16 CO -0.20 0.08 -0.24 0.00 -1.65 0.00 0.00 177.43 175.42 2aj0 h ALA 18 N 1.03 0.43 0.08 0.00 0.00 0.79 0.18 119.26 121.77 2aj0 h ALA 18 Ca 0.09 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2aj0 h ALA 18 Cb 0.77 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2aj0 h ALA 18 CO 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 179.25 178.89 2aj0 h ALA 19 N 1.41 -0.11 -0.76 0.00 0.00 -0.31 0.72 119.26 120.21 2aj0 h ALA 19 Ca 0.23 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2aj0 h ALA 19 Cb 0.34 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2aj0 h ALA 19 CO -0.38 -0.55 0.38 -0.22 0.00 0.00 0.00 179.25 178.47 2aj0 h LYS 20 N -0.13 0.59 0.68 0.00 3.64 -0.65 0.08 116.57 120.78 2aj0 h LYS 20 Ca -0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2aj0 h LYS 20 Cb 0.10 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2aj0 h LYS 20 CO 0.02 0.39 -0.33 0.35 -2.27 0.00 0.00 179.45 177.61 2aj0 h PHE 21 N 0.60 -0.84 -0.89 1.91 3.57 -0.08 0.64 116.94 121.85 2aj0 h PHE 21 Ca 0.39 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.94 2aj0 h PHE 21 Cb 0.47 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2aj0 h PHE 21 CO -0.11 -0.53 0.55 1.05 -2.23 0.00 0.00 178.31 177.05 2aj0 h GLU 22 N -1.18 0.94 0.36 1.11 -0.00 -0.71 0.10 114.58 115.20 2aj0 h GLU 22 Ca -0.09 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.19 2aj0 h GLU 22 Cb 0.70 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 29.24 2aj0 h GLU 22 CO 0.15 0.63 -0.17 -0.09 -0.00 0.00 0.00 179.01 179.53 2aj0 h ARG 23 N 0.97 -0.46 -0.65 1.06 2.43 -1.03 0.13 114.38 116.83 2aj0 h ARG 23 Ca 0.40 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.73 2aj0 h ARG 23 Cb 0.24 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.80 2aj0 h ARG 23 CO -0.20 -0.31 0.12 -0.91 -1.51 0.00 0.00 179.97 177.17 2aj0 h ASN 24 N -0.48 -0.04 -0.10 -3.80 4.21 0.42 0.28 115.58 116.06 2aj0 h ASN 24 Ca -0.05 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.59 2aj0 h ASN 24 Cb 0.37 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 2aj0 h ASN 24 CO 0.08 -0.03 0.05 0.58 -1.29 0.00 0.00 177.43 176.83 2aj0 h VAL 25 N 0.24 1.01 -0.81 2.81 2.07 -0.58 -2.11 116.25 118.88 2aj0 h VAL 25 Ca 0.35 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.94 2aj0 h VAL 25 Cb 0.55 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2aj0 h VAL 25 CO -0.46 0.02 0.53 0.11 0.02 0.00 0.00 177.57 177.79 2aj0 h LYS 26 N 0.11 0.65 0.00 1.57 1.57 0.75 0.33 116.57 121.55 2aj0 h LYS 26 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2aj0 h LYS 26 Cb -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2aj0 h LYS 26 CO -0.02 0.43 0.00 0.39 -0.57 0.00 0.00 179.45 179.68 2aj0 n GLU 27 N -4.52 0.19 -1.98 3.15 1.02 0.83 -4.80 120.64 114.53 2aj0 n GLU 27 Ca 0.14 0.13 -0.40 0.00 -0.02 0.00 0.00 57.16 57.02 2aj0 n GLU 27 Cb 0.40 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 2aj0 n GLU 27 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2aj0 s ILE 28 N -2.70 2.46 -0.11 -3.67 1.01 0.10 -5.00 121.20 113.29 2aj0 s ILE 28 Ca 0.15 0.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 2aj0 s ILE 28 Cb 0.12 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2aj0 s ILE 28 CO 0.30 0.07 0.62 -0.70 0.00 0.00 0.00 174.94 175.23 2aj0 s GLU 29 N -2.19 4.36 0.00 2.79 2.12 -1.26 -4.19 118.70 120.32 2aj0 s GLU 29 Ca 0.56 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2aj0 s GLU 29 Cb -0.40 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.51 2aj0 s GLU 29 CO 0.53 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 2aj0 n GLY 30 N 3.31 2.97 3.72 -1.50 0.00 -1.26 -4.96 105.19 107.47 2aj0 n GLY 30 Ca -0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2aj0 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aj0 s VAL 31 N -0.55 2.63 0.03 1.61 0.11 -1.26 -3.42 120.40 119.55 2aj0 s VAL 31 Ca 0.00 0.22 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2aj0 s VAL 31 Cb 0.00 -2.48 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 2aj0 s VAL 31 CO 0.00 -0.26 -0.07 0.41 -3.33 0.00 0.00 175.10 171.85 2aj0 n THR 32 N -3.77 1.06 -4.38 5.04 -1.04 0.02 -4.83 114.28 106.39 2aj0 n THR 32 Ca 0.11 0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 62.18 2aj0 n THR 32 Cb 0.52 -1.65 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 2aj0 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2aj0 s GLU 33 N -1.99 1.39 -0.15 -2.82 2.02 0.10 -4.98 118.70 112.26 2aj0 s GLU 33 Ca -0.06 -1.45 -0.13 0.00 0.02 0.00 0.00 54.97 53.36 2aj0 s GLU 33 Cb 0.01 -1.60 0.04 0.00 0.10 0.00 0.00 34.13 32.68 2aj0 s GLU 33 CO 0.08 0.34 0.39 0.00 0.02 0.00 0.00 175.26 176.10 2aj0 s ALA 34 N -1.77 -0.97 -0.43 5.21 0.00 -1.26 0.21 121.76 122.74 2aj0 s ALA 34 Ca 0.17 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2aj0 s ALA 34 Cb -0.07 -0.70 0.13 0.00 0.00 0.00 0.00 23.12 22.48 2aj0 s ALA 34 CO 0.08 -0.20 0.22 0.42 0.00 0.00 0.00 175.76 176.28 2aj0 s ILE 35 N 0.46 1.51 -0.62 0.00 1.01 0.57 -4.98 121.20 119.14 2aj0 s ILE 35 Ca -0.02 -2.53 -0.25 0.00 0.00 0.00 0.00 60.65 57.85 2aj0 s ILE 35 Cb -0.04 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.41 2aj0 s ILE 35 CO -0.02 -0.86 1.07 -0.69 0.00 0.00 0.00 174.94 174.44 2aj0 s VAL 36 N 0.41 4.15 -1.42 2.92 1.01 -1.26 -1.78 120.40 124.43 2aj0 s VAL 36 Ca 0.17 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2aj0 s VAL 36 Cb -0.24 -4.69 0.06 0.00 0.00 0.00 0.00 36.38 31.51 2aj0 s VAL 36 CO -0.02 -1.40 2.33 0.59 0.00 0.00 0.00 175.10 176.60 2aj0 n ASN 37 N 8.14 6.11 -4.73 3.32 5.03 0.49 -4.95 115.26 128.67 2aj0 n ASN 37 Ca 0.02 -2.91 -0.42 0.00 0.87 0.00 0.00 54.58 52.14 2aj0 n ASN 37 Cb 0.48 -1.53 -0.03 0.00 -1.02 0.00 0.00 39.78 37.68 2aj0 n ASN 37 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2aj0 s PHE 38 N 1.35 3.31 0.00 3.10 5.36 -1.26 -3.36 117.98 126.47 2aj0 s PHE 38 Ca 0.51 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 2aj0 s PHE 38 Cb 0.15 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2aj0 s PHE 38 CO -0.06 -1.83 0.00 0.41 -1.46 0.00 0.00 175.22 172.28 2aj0 n GLY 39 N 2.76 1.26 2.67 13.12 0.00 -1.26 -4.93 105.19 118.82 2aj0 n GLY 39 Ca 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 2aj0 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj0 n ALA 40 N 0.00 -3.38 -2.00 4.61 0.00 -1.26 -4.56 120.51 113.92 2aj0 n ALA 40 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2aj0 n ALA 40 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.37 2aj0 n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aj0 n SER 41 N 1.46 0.00 -3.90 0.00 7.64 -1.23 -5.09 113.62 112.50 2aj0 n SER 41 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.82 2aj0 n SER 41 Cb 0.70 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.87 2aj0 n SER 41 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2aj0 s LYS 42 N 1.40 1.69 -0.14 1.43 0.00 -1.21 -3.79 119.74 119.11 2aj0 s LYS 42 Ca 0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 55.97 54.89 2aj0 s LYS 42 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 37.83 38.42 2aj0 s LYS 42 CO 0.00 -0.75 -0.06 -1.50 0.00 0.00 0.00 175.35 173.04 2aj0 s ILE 43 N -3.95 1.07 -0.12 3.79 -1.16 0.25 -0.38 121.20 120.70 2aj0 s ILE 43 Ca 0.15 -0.47 -0.12 0.00 -0.51 0.00 0.00 60.65 59.70 2aj0 s ILE 43 Cb -0.04 -1.17 -0.05 0.00 0.61 0.00 0.00 42.46 41.81 2aj0 s ILE 43 CO 0.07 0.23 0.26 -0.89 -2.81 0.00 0.00 174.94 171.80 2aj0 s THR 44 N 1.67 5.32 0.06 4.00 2.01 -0.73 -1.20 115.64 126.76 2aj0 s THR 44 Ca 0.03 0.47 0.09 0.00 0.31 0.00 0.00 61.69 62.59 2aj0 s THR 44 Cb -0.14 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2aj0 s THR 44 CO -0.08 0.49 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.41 2aj0 s VAL 45 N -0.25 2.02 -0.10 3.82 1.01 0.36 -0.31 120.40 126.95 2aj0 s VAL 45 Ca 0.16 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 2aj0 s VAL 45 Cb -0.13 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.53 2aj0 s VAL 45 CO 0.05 0.28 0.25 -0.89 0.00 0.00 0.00 175.10 174.79 2aj0 s THR 46 N -0.85 -0.01 0.00 3.92 2.01 0.13 -0.80 115.64 120.04 2aj0 s THR 46 Ca 0.11 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2aj0 s THR 46 Cb -0.10 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.05 2aj0 s THR 46 CO 0.03 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2aj0 n GLY 47 N 3.37 0.70 2.67 4.40 0.00 -0.28 0.01 105.19 116.06 2aj0 n GLY 47 Ca -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 2aj0 n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aj0 n GLU 48 N 0.00 0.37 -3.71 1.61 2.13 -1.22 -4.81 120.64 115.01 2aj0 n GLU 48 Ca 0.00 -0.97 -0.10 0.00 0.66 0.00 0.00 57.16 56.75 2aj0 n GLU 48 Cb 0.00 -0.21 -0.05 0.00 0.27 0.00 0.00 31.44 31.45 2aj0 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aj0 s ALA 49 N 0.08 -0.68 0.37 4.31 0.00 -1.26 -4.39 121.76 120.19 2aj0 s ALA 49 Ca 0.15 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.94 2aj0 s ALA 49 Cb 0.23 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2aj0 s ALA 49 CO -0.11 -0.60 0.18 -1.12 0.00 0.00 0.00 175.76 174.11 2aj0 s SER 50 N -2.83 4.66 0.52 0.00 0.01 -1.26 -4.86 113.70 109.94 2aj0 s SER 50 Ca 0.04 -0.85 0.22 0.00 1.31 0.00 0.00 55.95 56.67 2aj0 s SER 50 Cb 0.03 -0.64 1.34 0.00 0.21 0.00 0.00 66.02 66.95 2aj0 s SER 50 CO -0.11 -0.41 2.04 -0.29 0.41 0.00 0.00 173.24 174.88 2aj0 h ILE 51 N 1.45 0.83 -0.65 1.44 6.09 -1.98 -2.94 117.51 121.74 2aj0 h ILE 51 Ca -0.43 -0.01 0.10 0.00 -1.37 0.00 0.00 64.86 63.15 2aj0 h ILE 51 Cb 1.25 0.80 -0.11 0.00 0.47 0.00 0.00 36.82 39.24 2aj0 h ILE 51 CO 0.64 0.00 -0.25 0.00 -3.07 0.00 0.00 178.15 175.48 2aj0 n GLN 52 N -4.43 -0.15 -0.05 2.19 1.13 -1.26 0.15 117.38 114.96 2aj0 n GLN 52 Ca 0.06 1.01 -0.11 0.00 -1.94 0.00 0.00 57.00 56.01 2aj0 n GLN 52 Cb 0.43 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 2aj0 n GLN 52 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2aj0 h GLN 53 N 0.00 0.27 -0.51 -1.09 4.20 -1.95 -0.76 115.11 115.27 2aj0 h GLN 53 Ca 0.23 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2aj0 h GLN 53 Cb 0.40 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 2aj0 h GLN 53 CO -0.65 0.36 0.29 0.28 -0.67 0.00 0.00 178.83 178.44 2aj0 h VAL 54 N 0.13 1.03 0.10 -0.54 2.07 -0.46 -1.04 116.25 117.54 2aj0 h VAL 54 Ca 0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2aj0 h VAL 54 Cb 0.19 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2aj0 h VAL 54 CO -0.00 0.11 -0.09 -0.08 0.02 0.00 0.00 177.57 177.52 2aj0 h GLU 55 N 0.58 -0.20 -0.71 1.57 4.81 -0.33 0.24 114.58 120.53 2aj0 h GLU 55 Ca 0.21 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.56 2aj0 h GLU 55 Cb 0.05 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.40 2aj0 h GLU 55 CO -0.11 -0.14 0.32 0.37 -0.73 0.00 0.00 179.01 178.73 2aj0 h GLN 56 N -0.21 0.51 0.36 1.92 4.15 -0.69 0.14 115.11 121.28 2aj0 h GLN 56 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2aj0 h GLN 56 Cb 0.20 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2aj0 h GLN 56 CO -0.02 0.34 -0.26 0.00 -1.93 0.00 0.00 178.83 176.95 2aj0 h ALA 57 N 1.46 -0.61 0.00 3.38 0.00 -0.86 -3.06 119.26 119.58 2aj0 h ALA 57 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2aj0 h ALA 57 Cb 0.45 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2aj0 h ALA 57 CO -0.32 -0.86 0.22 0.78 0.00 0.00 0.00 179.25 179.07 2aj0 h GLY 58 N -0.62 0.00 -1.34 0.00 0.00 0.18 -0.56 103.07 100.74 2aj0 h GLY 58 Ca -0.03 0.00 0.46 0.00 0.00 0.00 0.00 47.33 47.76 2aj0 h GLY 58 CO 0.01 0.00 0.87 0.00 0.00 0.00 0.00 176.54 177.41 2aj0 n ALA 59 N -1.78 1.33 -0.06 3.60 0.00 0.24 0.06 120.51 123.90 2aj0 n ALA 59 Ca -0.02 0.82 0.19 0.00 0.00 0.00 0.00 53.44 54.43 2aj0 n ALA 59 Cb 0.25 -1.01 0.62 0.00 0.00 0.00 0.00 19.45 19.31 2aj0 n ALA 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2aj0 h PHE 60 N 0.00 0.17 0.00 0.00 -5.15 -1.33 -2.49 116.94 108.14 2aj0 h PHE 60 Ca 0.84 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.62 2aj0 h PHE 60 Cb 2.75 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 38.86 2aj0 h PHE 60 CO -0.01 0.07 0.00 0.39 -2.00 0.00 0.00 178.31 176.76 2aj0 n GLU 61 N -4.41 0.62 -3.42 6.09 -0.58 0.17 -5.04 120.64 114.07 2aj0 n GLU 61 Ca 0.11 -0.84 -0.18 0.00 -0.42 0.00 0.00 57.16 55.84 2aj0 n GLU 61 Cb 0.58 -0.94 0.07 0.00 -0.57 0.00 0.00 31.44 30.58 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2aj0 n HIS 62 N -0.19 -2.24 -1.23 -0.32 8.25 0.11 -4.96 115.22 114.65 2aj0 n HIS 62 Ca 0.00 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 58.02 2aj0 n HIS 62 Cb 0.14 -4.58 0.10 0.00 1.12 0.00 0.00 29.99 26.76 2aj0 n HIS 62 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aj0 s LEU 63 N -6.07 3.03 -0.52 2.41 2.01 -1.06 -4.97 118.68 113.50 2aj0 s LEU 63 Ca 0.18 1.86 0.07 0.00 0.01 0.00 0.00 54.13 56.26 2aj0 s LEU 63 Cb -0.03 -4.53 0.28 0.00 0.01 0.00 0.00 46.19 41.92 2aj0 s LEU 63 CO 0.75 -2.12 0.71 2.29 1.01 0.00 0.00 176.35 179.00 2aj0 n LYS 64 N -3.54 1.93 -2.84 1.70 -0.00 -1.25 -4.89 118.16 109.26 2aj0 n LYS 64 Ca 0.09 -4.12 -0.40 0.00 -0.00 0.00 0.00 58.31 53.89 2aj0 n LYS 64 Cb 0.53 -1.88 -0.06 0.00 -0.00 0.00 0.00 35.03 33.62 2aj0 n LYS 64 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2aj0 s ILE 65 N -2.44 4.19 -0.06 0.58 1.01 -1.26 -4.39 121.20 118.84 2aj0 s ILE 65 Ca 0.40 1.93 0.03 0.00 0.00 0.00 0.00 60.65 63.01 2aj0 s ILE 65 Cb 0.20 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2aj0 s ILE 65 CO -0.07 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.58 2aj0 s ILE 66 N -1.19 1.25 -0.51 2.92 1.01 0.25 -4.95 121.20 119.98 2aj0 s ILE 66 Ca 0.40 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 60.19 2aj0 s ILE 66 Cb -0.24 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 2aj0 s ILE 66 CO 0.29 0.37 1.66 -2.16 0.00 0.00 0.00 174.94 175.10 2aj0 s PRO 67 N 0.39 3.11 0.21 2.79 0.04 -1.26 -0.65 135.00 139.64 2aj0 s PRO 67 Ca -0.10 0.79 -0.09 0.00 0.04 0.00 0.00 61.00 61.64 2aj0 s PRO 67 Cb -0.14 -4.22 0.21 0.00 0.04 0.00 0.00 34.50 30.39 2aj0 s PRO 67 CO 0.03 -2.15 1.85 0.93 0.04 0.00 0.00 177.00 177.71 2aj0 h GLU 68 N 12.75 0.88 -4.00 4.56 5.08 -1.93 -3.45 114.58 128.48 2aj0 h GLU 68 Ca -0.28 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 2aj0 h GLU 68 Cb 1.14 -0.20 -0.12 0.00 0.50 0.00 0.00 28.75 30.07 2aj0 h GLU 68 CO 1.15 0.59 -0.32 0.21 -1.00 0.00 0.00 179.01 179.63 2aj0 s LYS 69 N -6.11 1.37 -0.01 2.33 2.47 -1.26 -5.08 119.74 113.44 2aj0 s LYS 69 Ca -0.13 -1.37 -0.01 0.00 -1.56 0.00 0.00 55.97 52.90 2aj0 s LYS 69 Cb 0.16 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.92 2aj0 s LYS 69 CO 0.77 -0.52 0.02 0.39 0.16 0.00 0.00 175.35 176.17 2aj0 n GLU 70 N -0.32 -0.14 0.00 4.03 4.71 -1.26 -4.92 120.64 122.74 2aj0 n GLU 70 Ca -0.01 0.30 0.05 0.00 -0.01 0.00 0.00 57.16 57.49 2aj0 n GLU 70 Cb 0.63 -0.39 0.32 0.00 -1.01 0.00 0.00 31.44 31.00 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22