#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj0 s ALA 2 N 0.00 -1.14 -0.20 3.04 0.00 -1.26 -5.10 121.76 117.11 2aj0 s ALA 2 Ca 0.00 0.08 0.22 0.00 0.00 0.00 0.00 51.96 52.26 2aj0 s ALA 2 Cb 0.00 0.78 0.46 0.00 0.00 0.00 0.00 23.12 24.37 2aj0 s ALA 2 CO 0.00 -0.72 1.16 -0.85 0.00 0.00 0.00 175.76 175.36 2aj0 n GLU 3 N -0.30 1.24 -4.83 0.00 0.00 -1.26 -5.07 120.64 110.43 2aj0 n GLU 3 Ca -0.15 -2.84 -0.26 0.00 0.00 0.00 0.00 57.16 53.91 2aj0 n GLU 3 Cb 0.64 -0.96 -0.16 0.00 0.00 0.00 0.00 31.44 30.96 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2aj0 s LYS 4 N -2.41 1.75 0.04 3.44 -2.85 -1.26 -1.31 119.74 117.14 2aj0 s LYS 4 Ca 0.26 -0.60 -0.12 0.00 -1.00 0.00 0.00 55.97 54.51 2aj0 s LYS 4 Cb 0.34 -1.53 0.01 0.00 -2.06 0.00 0.00 37.83 34.59 2aj0 s LYS 4 CO -0.08 0.25 0.25 0.99 0.10 0.00 0.00 175.35 176.86 2aj0 s THR 5 N 0.02 0.09 0.01 3.79 2.01 -0.06 -5.01 115.64 116.50 2aj0 s THR 5 Ca -0.03 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2aj0 s THR 5 Cb -0.11 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 2aj0 s THR 5 CO 0.02 -0.42 -0.06 0.54 -0.69 0.00 0.00 174.62 174.01 2aj0 s VAL 6 N -2.42 0.48 0.06 3.82 0.11 -1.26 -0.49 120.40 120.70 2aj0 s VAL 6 Ca -0.06 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 2aj0 s VAL 6 Cb -0.02 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2aj0 s VAL 6 CO -0.03 0.02 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.27 2aj0 s TYR 7 N -0.41 1.51 -0.11 1.54 1.51 -0.27 -4.39 117.35 116.73 2aj0 s TYR 7 Ca -0.00 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.46 2aj0 s TYR 7 Cb -0.04 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2aj0 s TYR 7 CO -0.00 0.09 0.61 1.03 -1.11 0.00 0.00 175.55 176.17 2aj0 s ARG 8 N -1.42 4.35 0.07 -0.62 1.81 0.00 -0.58 118.95 122.56 2aj0 s ARG 8 Ca 0.04 0.67 0.02 0.00 -1.72 0.00 0.00 55.73 54.74 2aj0 s ARG 8 Cb -0.09 -3.47 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 2aj0 s ARG 8 CO 0.02 0.03 0.08 0.54 -0.68 0.00 0.00 175.30 175.29 2aj0 s VAL 9 N 0.99 4.56 0.00 3.52 0.11 -1.25 -0.14 120.40 128.19 2aj0 s VAL 9 Ca 0.31 -0.71 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 2aj0 s VAL 9 Cb -0.16 -3.18 -0.00 0.00 -1.53 0.00 0.00 36.38 31.50 2aj0 s VAL 9 CO 0.14 0.16 0.10 -0.62 -3.33 0.00 0.00 175.10 171.55 2aj0 s ASP 10 N -2.28 0.06 0.00 3.54 -1.08 -1.14 -4.50 116.67 111.27 2aj0 s ASP 10 Ca 0.28 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.08 2aj0 s ASP 10 Cb -0.12 0.18 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 2aj0 s ASP 10 CO 0.21 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.19 2aj0 n GLY 11 N 1.64 3.16 3.65 2.66 0.00 -1.26 -4.01 105.19 111.03 2aj0 n GLY 11 Ca -0.22 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 1.30 -0.47 0.99 -0.00 -1.26 -5.07 118.68 114.17 2aj0 s LEU 12 Ca 0.00 1.01 0.04 0.00 -0.00 0.00 0.00 54.13 55.18 2aj0 s LEU 12 Cb 0.00 -3.05 0.21 0.00 -0.00 0.00 0.00 46.19 43.34 2aj0 s LEU 12 CO 0.00 -3.45 0.85 -0.24 -0.00 0.00 0.00 176.35 173.52 2aj0 n SER 13 N -4.36 -2.89 -3.58 1.48 2.88 -1.26 -4.54 113.62 101.35 2aj0 n SER 13 Ca 0.07 -2.58 -0.02 0.00 -1.33 0.00 0.00 58.87 55.01 2aj0 n SER 13 Cb 0.58 1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 65.52 2aj0 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aj0 h THR 15 N 5.18 0.60 -0.94 0.00 2.02 -2.00 0.45 112.91 118.22 2aj0 h THR 15 Ca -0.25 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 66.88 2aj0 h THR 15 Cb 1.17 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 67.51 2aj0 h THR 15 CO 0.16 0.10 0.56 -1.13 0.37 0.00 0.00 175.52 175.58 2aj0 h ASN 16 N 0.54 0.79 -0.23 4.18 -1.24 -1.97 0.17 115.58 117.81 2aj0 h ASN 16 Ca 0.53 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.59 2aj0 h ASN 16 Cb 0.91 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.86 2aj0 h ASN 16 CO -0.45 0.39 0.09 0.00 -1.29 0.00 0.00 177.43 176.17 2aj0 h ALA 18 N 0.92 1.08 -0.05 0.00 0.00 -0.88 0.13 119.26 120.46 2aj0 h ALA 18 Ca 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aj0 h ALA 18 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2aj0 h ALA 18 CO -0.01 0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.38 2aj0 h ALA 19 N 1.41 0.06 -0.42 0.00 0.00 -0.28 0.61 119.26 120.63 2aj0 h ALA 19 Ca 0.36 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2aj0 h ALA 19 Cb 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2aj0 h ALA 19 CO -0.21 -0.34 0.04 -0.22 0.00 0.00 0.00 179.25 178.52 2aj0 h LYS 20 N -0.11 0.15 0.19 0.00 3.64 -0.60 -2.30 116.57 117.54 2aj0 h LYS 20 Ca 0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2aj0 h LYS 20 Cb 0.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2aj0 h LYS 20 CO -0.00 0.10 -0.24 0.74 -2.27 0.00 0.00 179.45 177.77 2aj0 h PHE 21 N 0.15 -0.68 -0.96 1.91 0.04 -0.40 -0.41 116.94 116.59 2aj0 h PHE 21 Ca 0.21 0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.10 2aj0 h PHE 21 Cb 0.28 0.27 -0.08 0.00 2.20 0.00 0.00 35.95 38.62 2aj0 h PHE 21 CO -0.25 -0.31 0.59 1.05 -0.60 0.00 0.00 178.31 178.79 2aj0 h GLU 22 N -0.45 0.92 -0.10 1.51 -0.00 -0.74 0.15 114.58 115.87 2aj0 h GLU 22 Ca -0.02 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.36 59.28 2aj0 h GLU 22 Cb 0.40 -0.21 -0.00 0.00 -0.00 0.00 0.00 28.75 28.94 2aj0 h GLU 22 CO -0.06 0.61 0.05 -0.09 -0.00 0.00 0.00 179.01 179.53 2aj0 h ARG 23 N 0.95 0.14 -0.91 1.06 2.43 -1.37 0.19 114.38 116.88 2aj0 h ARG 23 Ca 0.47 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 2aj0 h ARG 23 Cb 0.43 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2aj0 h ARG 23 CO -0.25 0.19 0.57 -0.97 -1.51 0.00 0.00 179.97 177.99 2aj0 h ASN 24 N 0.06 0.91 -0.29 -3.80 -0.73 0.81 -0.09 115.58 112.45 2aj0 h ASN 24 Ca 0.04 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 2aj0 h ASN 24 Cb 0.09 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2aj0 h ASN 24 CO -0.01 0.59 0.08 0.58 -0.37 0.00 0.00 177.43 178.30 2aj0 h VAL 25 N 1.05 1.21 -0.58 2.57 2.07 -0.49 -2.89 116.25 119.20 2aj0 h VAL 25 Ca 0.39 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.29 2aj0 h VAL 25 Cb 0.15 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2aj0 h VAL 25 CO -0.17 0.23 0.39 0.11 0.02 0.00 0.00 177.57 178.15 2aj0 h LYS 26 N 0.31 0.45 0.00 1.57 1.57 0.29 0.11 116.57 120.86 2aj0 h LYS 26 Ca 0.09 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2aj0 h LYS 26 Cb 0.27 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2aj0 h LYS 26 CO -0.00 0.30 -0.02 0.93 -0.57 0.00 0.00 179.45 180.09 2aj0 h GLU 27 N 0.46 0.00 -6.52 3.15 4.39 -0.83 -3.42 114.58 111.82 2aj0 h GLU 27 Ca 0.26 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.41 2aj0 h GLU 27 Cb 0.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.00 2aj0 h GLU 27 CO -0.07 0.02 1.04 0.42 -1.16 0.00 0.00 179.01 179.25 2aj0 s ILE 28 N -4.16 3.93 -1.00 3.13 -1.09 0.39 -4.93 121.20 117.47 2aj0 s ILE 28 Ca -0.04 0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 58.98 2aj0 s ILE 28 Cb 0.13 -4.52 -0.11 0.00 -1.58 0.00 0.00 42.46 36.37 2aj0 s ILE 28 CO 0.48 -1.15 2.07 -1.61 -1.23 0.00 0.00 174.94 173.49 2aj0 s GLU 29 N 5.12 2.06 0.00 2.79 2.02 -1.26 -2.81 118.70 126.61 2aj0 s GLU 29 Ca 0.50 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2aj0 s GLU 29 Cb -0.10 -5.04 0.00 0.00 0.10 0.00 0.00 34.13 29.09 2aj0 s GLU 29 CO 0.27 -4.22 0.00 0.41 0.02 0.00 0.00 175.26 171.74 2aj0 n GLY 30 N 6.40 0.04 3.94 -1.39 0.00 -1.26 -5.11 105.19 107.80 2aj0 n GLY 30 Ca 0.43 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 5.20 -0.16 1.61 0.11 -1.13 -1.18 120.40 124.86 2aj0 s VAL 31 Ca 0.00 -0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 58.41 2aj0 s VAL 31 Cb 0.00 -3.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.00 2aj0 s VAL 31 CO 0.00 -0.27 -0.26 0.41 -3.33 0.00 0.00 175.10 171.65 2aj0 n THR 32 N -1.01 1.27 -4.81 5.04 -1.04 0.49 -4.86 114.28 109.36 2aj0 n THR 32 Ca -0.06 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 2aj0 n THR 32 Cb 0.55 -1.96 -0.16 0.00 -1.82 0.00 0.00 70.33 66.94 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 -2.52 1.77 -0.09 -2.82 2.02 0.96 -5.00 118.70 113.02 2aj0 s GLU 33 Ca -0.25 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.17 2aj0 s GLU 33 Cb 0.07 -1.53 0.02 0.00 0.10 0.00 0.00 34.13 32.79 2aj0 s GLU 33 CO 0.34 0.22 -0.12 0.00 0.02 0.00 0.00 175.26 175.72 2aj0 s ALA 34 N 0.09 1.38 -0.41 5.21 0.00 -1.26 0.38 121.76 127.15 2aj0 s ALA 34 Ca -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 2aj0 s ALA 34 Cb -0.12 -0.72 0.10 0.00 0.00 0.00 0.00 23.12 22.38 2aj0 s ALA 34 CO 0.02 -0.07 0.21 0.42 0.00 0.00 0.00 175.76 176.35 2aj0 s ILE 35 N 1.02 3.56 0.11 0.00 -1.09 0.04 -4.96 121.20 119.88 2aj0 s ILE 35 Ca -0.08 -1.83 -0.10 0.00 -2.23 0.00 0.00 60.65 56.41 2aj0 s ILE 35 Cb -0.15 -3.34 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2aj0 s ILE 35 CO -0.01 -0.61 0.45 0.68 -1.23 0.00 0.00 174.94 174.22 2aj0 s VAL 36 N 1.24 5.03 -0.33 2.92 -7.23 -1.26 -0.83 120.40 119.94 2aj0 s VAL 36 Ca 0.06 0.51 0.17 0.00 -1.81 0.00 0.00 61.98 60.91 2aj0 s VAL 36 Cb -0.23 -3.66 0.44 0.00 0.56 0.00 0.00 36.38 33.49 2aj0 s VAL 36 CO -0.02 0.23 0.91 0.59 -0.31 0.00 0.00 175.10 176.50 2aj0 n ASN 37 N 0.73 1.29 -4.68 4.85 3.02 0.12 -4.98 115.26 115.61 2aj0 n ASN 37 Ca -0.06 -2.77 -0.42 0.00 -0.03 0.00 0.00 54.58 51.30 2aj0 n ASN 37 Cb 0.52 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 2aj0 n ASN 37 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2aj0 s PHE 38 N -2.96 1.81 0.00 3.10 0.40 -1.26 -3.06 117.98 116.01 2aj0 s PHE 38 Ca 0.29 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 2aj0 s PHE 38 Cb 0.44 -4.21 0.00 0.00 0.51 0.00 0.00 43.02 39.76 2aj0 s PHE 38 CO 0.02 -5.15 0.00 0.41 0.70 0.00 0.00 175.22 171.20 2aj0 n GLY 39 N 4.36 0.97 2.71 4.36 0.00 -1.26 -4.54 105.19 111.78 2aj0 n GLY 39 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.55 -2.00 4.61 0.00 -1.25 -4.61 120.51 116.70 2aj0 n ALA 40 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.24 2aj0 n ALA 40 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 0.00 0.00 -3.75 0.00 7.64 -1.19 -5.15 113.62 111.18 2aj0 n SER 41 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 2aj0 n SER 41 Cb 0.75 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.94 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 2.35 1.84 -0.16 1.43 0.00 -1.17 -3.93 119.74 120.10 2aj0 s LYS 42 Ca 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 55.97 54.91 2aj0 s LYS 42 Cb 0.00 0.61 0.05 0.00 0.00 0.00 0.00 37.83 38.49 2aj0 s LYS 42 CO 0.00 -0.85 -0.00 -1.50 0.00 0.00 0.00 175.35 173.00 2aj0 s ILE 43 N -3.72 0.70 0.10 3.79 -1.16 0.25 0.10 121.20 121.26 2aj0 s ILE 43 Ca 0.12 -0.44 -0.14 0.00 -0.51 0.00 0.00 60.65 59.67 2aj0 s ILE 43 Cb -0.06 -1.02 -0.06 0.00 0.61 0.00 0.00 42.46 41.93 2aj0 s ILE 43 CO 0.08 0.01 0.51 -0.89 -2.81 0.00 0.00 174.94 171.83 2aj0 s THR 44 N 1.80 4.90 -0.04 4.00 2.01 -0.01 -1.12 115.64 127.19 2aj0 s THR 44 Ca 0.01 0.84 0.02 0.00 0.31 0.00 0.00 61.69 62.87 2aj0 s THR 44 Cb -0.15 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2aj0 s THR 44 CO -0.07 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.43 2aj0 s VAL 45 N -1.33 0.89 -0.07 3.82 1.01 0.36 -0.78 120.40 124.29 2aj0 s VAL 45 Ca 0.33 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2aj0 s VAL 45 Cb -0.16 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.46 2aj0 s VAL 45 CO 0.18 0.28 0.14 -0.89 0.00 0.00 0.00 175.10 174.81 2aj0 s THR 46 N 0.37 -0.16 0.00 3.92 2.01 0.16 -0.88 115.64 121.06 2aj0 s THR 46 Ca -0.07 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.22 2aj0 s THR 46 Cb -0.11 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.14 2aj0 s THR 46 CO 0.01 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2aj0 n GLY 47 N 4.84 -1.47 2.69 4.40 0.00 -0.43 -0.03 105.19 115.20 2aj0 n GLY 47 Ca -0.14 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 0.76 -4.01 1.61 2.13 -0.33 -4.82 120.64 115.98 2aj0 n GLU 48 Ca 0.00 -1.41 -0.10 0.00 0.66 0.00 0.00 57.16 56.31 2aj0 n GLU 48 Cb 0.00 -0.28 -0.04 0.00 0.27 0.00 0.00 31.44 31.39 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 0.15 -0.02 0.31 4.31 0.00 -1.16 -4.76 121.76 120.59 2aj0 s ALA 49 Ca 0.17 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 51.20 2aj0 s ALA 49 Cb 0.28 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 24.40 2aj0 s ALA 49 CO -0.08 -0.85 -0.06 -1.12 0.00 0.00 0.00 175.76 173.65 2aj0 s SER 50 N -3.08 4.02 0.48 0.00 0.01 -1.26 -4.88 113.70 108.99 2aj0 s SER 50 Ca 0.24 -0.98 0.24 0.00 1.31 0.00 0.00 55.95 56.77 2aj0 s SER 50 Cb -0.01 -0.50 1.29 0.00 0.21 0.00 0.00 66.02 67.01 2aj0 s SER 50 CO 0.12 -0.12 1.90 -0.29 0.41 0.00 0.00 173.24 175.26 2aj0 h ILE 51 N 1.97 0.65 -0.75 1.44 6.09 -1.98 -2.68 117.51 122.25 2aj0 h ILE 51 Ca -0.42 -0.06 0.19 0.00 -1.37 0.00 0.00 64.86 63.20 2aj0 h ILE 51 Cb 1.25 0.45 -0.14 0.00 0.47 0.00 0.00 36.82 38.85 2aj0 h ILE 51 CO 0.65 0.03 -0.02 0.00 -3.07 0.00 0.00 178.15 175.74 2aj0 n GLN 52 N -4.39 -0.06 0.06 2.19 6.02 -1.26 0.76 117.38 120.70 2aj0 n GLN 52 Ca 0.17 1.13 -0.11 0.00 -0.01 0.00 0.00 57.00 58.17 2aj0 n GLN 52 Cb 0.77 -1.77 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 2aj0 n GLN 52 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2aj0 h GLN 53 N 0.00 -0.19 -0.49 -1.09 1.08 -1.91 0.62 115.11 113.14 2aj0 h GLN 53 Ca 0.43 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.57 2aj0 h GLN 53 Cb 0.86 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 2aj0 h GLN 53 CO -0.71 -0.13 0.01 0.28 -0.95 0.00 0.00 178.83 177.33 2aj0 h VAL 54 N -0.20 1.26 -0.50 -0.54 2.07 0.16 -1.76 116.25 116.73 2aj0 h VAL 54 Ca 0.03 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2aj0 h VAL 54 Cb 0.24 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2aj0 h VAL 54 CO -0.10 0.37 0.20 -0.08 0.02 0.00 0.00 177.57 177.99 2aj0 h GLU 55 N 0.71 0.75 -0.09 1.57 4.81 -0.27 0.17 114.58 122.24 2aj0 h GLU 55 Ca 0.14 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2aj0 h GLU 55 Cb 0.50 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2aj0 h GLU 55 CO 0.02 0.67 -0.31 0.37 -0.73 0.00 0.00 179.01 179.03 2aj0 h GLN 56 N 0.67 -0.39 -0.40 1.92 -0.00 -0.71 -0.13 115.11 116.08 2aj0 h GLN 56 Ca 0.17 0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.92 2aj0 h GLN 56 Cb 0.20 0.09 -0.09 0.00 0.00 0.00 0.00 27.48 27.67 2aj0 h GLN 56 CO -0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 178.83 178.24 2aj0 h ALA 57 N 0.40 -0.15 0.00 3.38 0.00 -0.89 -1.31 119.26 120.70 2aj0 h ALA 57 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2aj0 h ALA 57 Cb 0.54 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2aj0 h ALA 57 CO -0.32 -0.71 0.12 0.78 0.00 0.00 0.00 179.25 179.12 2aj0 h GLY 58 N -0.24 0.00 0.24 0.00 0.00 0.65 -0.44 103.07 103.28 2aj0 h GLY 58 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.70 2aj0 h GLY 58 CO -0.54 0.00 0.70 0.00 0.00 0.00 0.00 176.54 176.70 2aj0 h ALA 59 N 1.70 2.45 -0.91 3.60 0.00 0.15 0.34 119.26 126.59 2aj0 h ALA 59 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.06 2aj0 h ALA 59 Cb 0.24 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 2aj0 h ALA 59 CO 0.00 -1.04 0.48 0.27 0.00 0.00 0.00 179.25 178.97 2aj0 h PHE 60 N 0.00 0.84 -0.00 0.00 -5.15 -1.27 -2.95 116.94 108.41 2aj0 h PHE 60 Ca 0.31 0.04 0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2aj0 h PHE 60 Cb 1.70 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 37.64 2aj0 h PHE 60 CO 0.00 0.15 -0.09 0.39 -2.00 0.00 0.00 178.31 176.77 2aj0 n GLU 61 N -4.87 1.83 -2.45 6.09 4.71 -0.23 -5.03 120.64 120.69 2aj0 n GLU 61 Ca 0.20 -0.53 -0.05 0.00 -0.01 0.00 0.00 57.16 56.77 2aj0 n GLU 61 Cb 0.52 -0.97 0.03 0.00 -1.01 0.00 0.00 31.44 30.01 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2aj0 n HIS 62 N -0.21 -0.68 -1.51 -0.32 8.25 0.10 -5.03 115.22 115.83 2aj0 n HIS 62 Ca 0.02 0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 57.48 2aj0 n HIS 62 Cb 0.12 -2.94 0.11 0.00 1.12 0.00 0.00 29.99 28.40 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 -3.33 2.33 -0.11 2.41 2.01 -1.04 -4.97 118.68 115.98 2aj0 s LEU 63 Ca 0.00 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.34 2aj0 s LEU 63 Cb -0.00 -3.67 0.02 0.00 0.01 0.00 0.00 46.19 42.54 2aj0 s LEU 63 CO 0.22 -2.26 -0.11 -1.59 1.01 0.00 0.00 176.35 173.62 2aj0 s LYS 64 N -5.18 1.83 -0.26 1.70 0.00 -1.26 -4.84 119.74 111.73 2aj0 s LYS 64 Ca 0.62 -0.39 0.02 0.00 0.00 0.00 0.00 55.97 56.22 2aj0 s LYS 64 Cb -0.15 -1.72 0.07 0.00 0.00 0.00 0.00 37.83 36.03 2aj0 s LYS 64 CO 0.54 -0.18 -0.05 0.42 0.00 0.00 0.00 175.35 176.08 2aj0 s ILE 65 N 1.37 1.85 -0.13 3.79 1.01 -1.26 -2.86 121.20 124.97 2aj0 s ILE 65 Ca -0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 2aj0 s ILE 65 Cb -0.13 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 2aj0 s ILE 65 CO -0.06 -0.17 0.38 -0.63 0.00 0.00 0.00 174.94 174.47 2aj0 s ILE 66 N 1.22 5.24 -0.83 2.92 1.01 0.80 -4.86 121.20 126.70 2aj0 s ILE 66 Ca -0.04 0.74 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 2aj0 s ILE 66 Cb -0.19 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 2aj0 s ILE 66 CO -0.07 0.38 2.02 -2.16 0.00 0.00 0.00 174.94 175.11 2aj0 s PRO 67 N 0.42 2.40 0.73 2.79 0.04 -1.26 -0.82 135.00 139.31 2aj0 s PRO 67 Ca 0.21 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.10 2aj0 s PRO 67 Cb -0.14 -4.91 -0.04 0.00 0.04 0.00 0.00 34.50 29.45 2aj0 s PRO 67 CO 0.07 -3.44 0.46 0.39 0.04 0.00 0.00 177.00 174.51 2aj0 n GLU 68 N 8.90 0.24 -3.72 4.56 -0.58 -1.26 -4.99 120.64 123.80 2aj0 n GLU 68 Ca 0.38 0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2aj0 n GLU 68 Cb 0.47 -1.77 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 2aj0 n GLU 68 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2aj0 s LYS 69 N -2.71 0.26 0.55 3.49 0.00 -1.26 -4.99 119.74 115.08 2aj0 s LYS 69 Ca 0.64 0.58 -0.21 0.00 0.00 0.00 0.00 55.97 56.98 2aj0 s LYS 69 Cb -0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 37.83 37.36 2aj0 s LYS 69 CO 0.60 -0.15 1.32 0.39 0.00 0.00 0.00 175.35 177.50 2aj0 n GLU 70 N 4.14 1.58 0.00 1.78 1.02 -1.26 -5.27 120.64 122.62 2aj0 n GLU 70 Ca -0.24 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2aj0 n GLU 70 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31