#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 3.00 -0.88 3.04 0.00 -1.26 -5.14 120.51 119.27 2aj0 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2aj0 n ALA 2 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2aj0 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2aj0 n GLU 3 N -3.15 0.00 -4.41 0.00 2.13 -1.26 -4.77 120.64 109.18 2aj0 n GLU 3 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2aj0 n GLU 3 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 2aj0 n GLU 3 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2aj0 s LYS 4 N 0.00 1.26 0.00 5.31 -2.85 -1.26 -3.44 119.74 118.76 2aj0 s LYS 4 Ca 0.00 -1.15 -0.11 0.00 -1.00 0.00 0.00 55.97 53.71 2aj0 s LYS 4 Cb 0.00 -1.54 0.01 0.00 -2.06 0.00 0.00 37.83 34.24 2aj0 s LYS 4 CO 0.00 0.37 0.23 0.99 0.10 0.00 0.00 175.35 177.04 2aj0 s THR 5 N -1.05 0.07 -0.03 3.79 2.01 -0.10 -5.01 115.64 115.33 2aj0 s THR 5 Ca 0.08 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2aj0 s THR 5 Cb -0.10 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.84 2aj0 s THR 5 CO 0.04 -0.33 -0.04 0.54 -0.69 0.00 0.00 174.62 174.14 2aj0 s VAL 6 N -1.52 0.44 0.17 3.82 0.11 -1.26 -0.43 120.40 121.74 2aj0 s VAL 6 Ca -0.13 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2aj0 s VAL 6 Cb -0.06 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2aj0 s VAL 6 CO 0.02 0.18 -0.13 -0.31 -3.33 0.00 0.00 175.10 171.53 2aj0 s TYR 7 N 0.61 2.57 -0.39 1.54 1.51 0.15 -4.58 117.35 118.75 2aj0 s TYR 7 Ca -0.07 -0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.55 2aj0 s TYR 7 Cb -0.11 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2aj0 s TYR 7 CO -0.00 0.49 0.57 1.03 -1.11 0.00 0.00 175.55 176.53 2aj0 s ARG 8 N -2.69 3.46 0.02 -0.62 0.52 -0.41 -0.63 118.95 118.61 2aj0 s ARG 8 Ca 0.23 -0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 2aj0 s ARG 8 Cb -0.09 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.46 2aj0 s ARG 8 CO 0.14 -0.80 0.32 0.54 0.02 0.00 0.00 175.30 175.51 2aj0 s VAL 9 N 2.56 5.22 0.11 3.52 0.11 -1.26 -0.48 120.40 130.19 2aj0 s VAL 9 Ca 0.20 0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 59.55 2aj0 s VAL 9 Cb -0.15 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 2aj0 s VAL 9 CO 0.15 0.38 0.08 -0.62 -3.33 0.00 0.00 175.10 171.77 2aj0 s ASP 10 N -1.62 0.29 0.00 3.54 2.15 -0.50 -4.26 116.67 116.28 2aj0 s ASP 10 Ca 0.28 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 52.22 2aj0 s ASP 10 Cb -0.14 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 2aj0 s ASP 10 CO 0.16 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2aj0 n GLY 11 N -0.06 2.12 3.96 2.66 0.00 -1.26 -3.54 105.19 109.07 2aj0 n GLY 11 Ca -0.09 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 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 2.93 -0.42 0.99 0.05 -1.26 -5.06 118.68 115.90 2aj0 s LEU 12 Ca 0.00 0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.30 2aj0 s LEU 12 Cb 0.00 -2.63 0.20 0.00 -2.05 0.00 0.00 46.19 41.70 2aj0 s LEU 12 CO 0.00 -1.75 0.87 -0.94 -0.55 0.00 0.00 176.35 173.99 2aj0 s SER 13 N -4.61 -0.95 -0.28 1.48 1.04 -1.26 -4.10 113.70 105.01 2aj0 s SER 13 Ca 0.63 -0.96 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 2aj0 s SER 13 Cb -0.08 1.24 0.10 0.00 0.10 0.00 0.00 66.02 67.38 2aj0 s SER 13 CO 0.45 -0.05 0.80 0.00 0.98 0.00 0.00 173.24 175.41 2aj0 h THR 15 N 4.65 0.79 -0.68 0.00 2.02 -1.98 0.45 112.91 118.15 2aj0 h THR 15 Ca -0.29 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 66.80 2aj0 h THR 15 Cb 1.20 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2aj0 h THR 15 CO 0.14 0.06 0.45 -1.13 0.37 0.00 0.00 175.52 175.41 2aj0 h ASN 16 N 0.33 0.75 -0.18 4.18 -1.24 -1.99 0.23 115.58 117.66 2aj0 h ASN 16 Ca 0.25 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 2aj0 h ASN 16 Cb 0.29 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 2aj0 h ASN 16 CO -0.27 0.53 -0.18 0.00 -1.29 0.00 0.00 177.43 176.21 2aj0 h ALA 18 N 0.63 1.04 0.35 0.00 0.00 -0.15 0.10 119.26 121.24 2aj0 h ALA 18 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2aj0 h ALA 18 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2aj0 h ALA 18 CO 0.04 -0.09 -0.28 0.00 0.00 0.00 0.00 179.25 178.93 2aj0 h ALA 19 N 1.48 -0.63 -0.93 0.00 0.00 -0.37 0.17 119.26 118.98 2aj0 h ALA 19 Ca 0.38 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2aj0 h ALA 19 Cb 0.47 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2aj0 h ALA 19 CO -0.31 -0.88 0.56 -0.22 0.00 0.00 0.00 179.25 178.40 2aj0 h LYS 20 N -0.63 0.88 0.77 0.00 3.64 -0.80 -0.55 116.57 119.89 2aj0 h LYS 20 Ca -0.03 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 2aj0 h LYS 20 Cb 0.55 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2aj0 h LYS 20 CO -0.01 0.58 -0.37 0.35 -2.27 0.00 0.00 179.45 177.73 2aj0 h PHE 21 N 0.91 -0.96 -0.93 1.91 3.57 -0.10 0.14 116.94 121.47 2aj0 h PHE 21 Ca 0.45 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.01 2aj0 h PHE 21 Cb 0.43 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2aj0 h PHE 21 CO -0.03 -0.60 0.58 1.05 -2.23 0.00 0.00 178.31 177.08 2aj0 h GLU 22 N -1.26 0.98 0.31 1.11 4.11 -0.53 0.57 114.58 119.87 2aj0 h GLU 22 Ca -0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 2aj0 h GLU 22 Cb 0.80 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2aj0 h GLU 22 CO 0.17 0.65 -0.24 -0.09 0.07 0.00 0.00 179.01 179.58 2aj0 h ARG 23 N 1.01 -0.54 -0.43 1.06 9.65 -1.11 0.17 114.38 124.19 2aj0 h ARG 23 Ca 0.42 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.43 2aj0 h ARG 23 Cb 0.27 0.12 -0.09 0.00 -1.39 0.00 0.00 29.97 28.88 2aj0 h ARG 23 CO -0.21 -0.36 -0.20 -0.91 2.80 0.00 0.00 179.97 181.10 2aj0 h ASN 24 N -0.56 -0.69 -0.02 -3.80 2.35 0.47 0.18 115.58 113.52 2aj0 h ASN 24 Ca -0.02 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2aj0 h ASN 24 Cb 0.49 0.38 -0.04 0.00 0.05 0.00 0.00 38.32 39.20 2aj0 h ASN 24 CO -0.01 -0.23 -0.18 0.58 -1.65 0.00 0.00 177.43 175.95 2aj0 h VAL 25 N -0.11 0.57 -1.00 2.81 2.07 -0.56 -1.19 116.25 118.84 2aj0 h VAL 25 Ca 0.21 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.93 2aj0 h VAL 25 Cb 0.44 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 2aj0 h VAL 25 CO -0.51 0.00 0.61 0.11 0.02 0.00 0.00 177.57 177.81 2aj0 h LYS 26 N -0.28 0.68 0.00 1.57 1.57 0.05 0.50 116.57 120.65 2aj0 h LYS 26 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2aj0 h LYS 26 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2aj0 h LYS 26 CO -0.18 0.45 0.00 0.39 -0.57 0.00 0.00 179.45 179.54 2aj0 n GLU 27 N -4.74 0.19 -2.59 3.15 1.02 0.58 -4.69 120.64 113.56 2aj0 n GLU 27 Ca 0.23 0.36 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 2aj0 n GLU 27 Cb 0.61 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 -3.25 4.42 -1.05 -3.67 1.01 0.16 -4.94 121.20 113.88 2aj0 s ILE 28 Ca 0.06 1.81 0.25 0.00 0.00 0.00 0.00 60.65 62.77 2aj0 s ILE 28 Cb 0.10 -4.16 0.24 0.00 0.01 0.00 0.00 42.46 38.65 2aj0 s ILE 28 CO 0.42 0.18 1.81 -0.62 0.00 0.00 0.00 174.94 176.73 2aj0 n GLU 29 N 3.54 0.04 0.08 2.79 1.02 -1.26 -3.53 120.64 123.32 2aj0 n GLU 29 Ca 0.06 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.19 2aj0 n GLU 29 Cb 0.49 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.32 2aj0 n GLU 29 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2aj0 h GLY 30 N 4.30 0.06 -3.16 0.62 0.00 -1.92 -3.46 103.07 99.52 2aj0 h GLY 30 Ca 0.00 -0.14 -0.48 0.00 0.00 0.00 0.00 47.33 46.70 2aj0 h GLY 30 CO 0.00 0.12 -0.33 0.54 0.00 0.00 0.00 176.54 176.88 2aj0 s VAL 31 N -2.83 5.20 -0.14 4.60 0.11 -1.23 -0.83 120.40 125.27 2aj0 s VAL 31 Ca -0.00 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.27 2aj0 s VAL 31 Cb 0.10 -3.83 -0.06 0.00 -1.53 0.00 0.00 36.38 31.06 2aj0 s VAL 31 CO 0.82 -0.37 -0.25 0.41 -3.33 0.00 0.00 175.10 172.39 2aj0 n THR 32 N -1.35 1.24 -4.24 5.04 -1.04 -1.02 -4.84 114.28 108.06 2aj0 n THR 32 Ca -0.07 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 2aj0 n THR 32 Cb 0.56 -1.94 -0.11 0.00 -1.82 0.00 0.00 70.33 67.02 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 -2.49 1.03 -0.11 -2.82 0.41 0.89 -4.99 118.70 110.61 2aj0 s GLU 33 Ca -0.24 -1.24 -0.17 0.00 -0.41 0.00 0.00 54.97 52.91 2aj0 s GLU 33 Cb 0.07 -0.91 0.04 0.00 -1.78 0.00 0.00 34.13 31.55 2aj0 s GLU 33 CO 0.32 0.17 0.44 0.00 -0.49 0.00 0.00 175.26 175.71 2aj0 s ALA 34 N -2.13 -1.11 -0.27 5.21 0.00 -1.26 0.24 121.76 122.44 2aj0 s ALA 34 Ca 0.09 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2aj0 s ALA 34 Cb -0.05 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.71 2aj0 s ALA 34 CO 0.03 -0.25 0.01 0.42 0.00 0.00 0.00 175.76 175.98 2aj0 s ILE 35 N -0.35 1.35 -0.19 0.00 1.01 -0.08 -4.96 121.20 117.98 2aj0 s ILE 35 Ca -0.05 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 2aj0 s ILE 35 Cb -0.03 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2aj0 s ILE 35 CO 0.03 -0.35 0.43 -0.69 0.00 0.00 0.00 174.94 174.36 2aj0 s VAL 36 N 1.43 5.18 -0.14 2.92 1.01 -1.26 -0.51 120.40 129.04 2aj0 s VAL 36 Ca 0.02 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.68 2aj0 s VAL 36 Cb -0.18 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2aj0 s VAL 36 CO -0.12 0.25 0.00 0.78 0.00 0.00 0.00 175.10 176.02 2aj0 h ASN 37 N 7.26 0.00 -1.28 3.32 4.21 -1.66 -3.49 115.58 123.95 2aj0 h ASN 37 Ca -0.36 -0.15 0.07 0.00 1.21 0.00 0.00 56.30 57.06 2aj0 h ASN 37 Cb 1.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 2aj0 h ASN 37 CO 0.73 0.81 -0.09 0.49 -1.29 0.00 0.00 177.43 178.08 2aj0 n PHE 38 N -4.64 -2.20 -2.80 1.19 3.01 -1.23 -4.94 117.46 105.85 2aj0 n PHE 38 Ca -0.09 0.31 -0.14 0.00 1.01 0.00 0.00 57.45 58.54 2aj0 n PHE 38 Cb 0.27 -0.36 0.03 0.00 -0.01 0.00 0.00 39.48 39.40 2aj0 n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aj0 n GLY 39 N -0.74 -0.08 2.27 1.37 0.00 -1.26 -3.91 105.19 102.84 2aj0 n GLY 39 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.07 -2.23 -2.00 4.61 0.00 -1.26 -5.03 120.51 111.53 2aj0 n ALA 40 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2aj0 n ALA 40 Cb 0.57 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.17 0.00 -3.79 0.00 7.64 -1.25 -5.13 113.62 109.92 2aj0 n SER 41 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 2aj0 n SER 41 Cb 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 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 1.93 1.64 -0.10 1.43 -2.85 -1.26 -4.05 119.74 116.47 2aj0 s LYS 42 Ca 0.00 -0.92 -0.00 0.00 -1.00 0.00 0.00 55.97 54.05 2aj0 s LYS 42 Cb 0.00 0.58 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 2aj0 s LYS 42 CO 0.00 -0.74 -0.06 -1.50 0.10 0.00 0.00 175.35 173.15 2aj0 s ILE 43 N -3.90 0.92 0.01 3.79 -1.16 0.20 -1.46 121.20 119.60 2aj0 s ILE 43 Ca 0.10 -0.23 -0.05 0.00 -0.51 0.00 0.00 60.65 59.96 2aj0 s ILE 43 Cb -0.04 -0.96 -0.05 0.00 0.61 0.00 0.00 42.46 42.02 2aj0 s ILE 43 CO 0.03 0.35 0.25 -0.89 -2.81 0.00 0.00 174.94 171.87 2aj0 s THR 44 N 1.71 5.33 -0.00 4.00 2.01 0.34 -0.67 115.64 128.35 2aj0 s THR 44 Ca 0.04 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2aj0 s THR 44 Cb -0.13 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2aj0 s THR 44 CO -0.07 0.34 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.41 2aj0 s VAL 45 N -1.32 0.75 -0.38 3.82 1.01 0.43 -0.90 120.40 123.81 2aj0 s VAL 45 Ca 0.28 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2aj0 s VAL 45 Cb -0.13 -0.64 0.16 0.00 0.00 0.00 0.00 36.38 35.77 2aj0 s VAL 45 CO 0.17 0.18 0.39 -0.89 0.00 0.00 0.00 175.10 174.96 2aj0 s THR 46 N -0.28 -0.35 0.00 3.92 2.01 0.14 -0.92 115.64 120.15 2aj0 s THR 46 Ca 0.03 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2aj0 s THR 46 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2aj0 s THR 46 CO -0.00 -0.57 0.00 0.61 -0.69 0.00 0.00 174.62 173.96 2aj0 n GLY 47 N 4.16 -0.46 2.52 4.40 0.00 -1.22 -0.07 105.19 114.51 2aj0 n GLY 47 Ca 0.12 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 0.93 -3.97 1.61 0.00 -0.01 -4.27 120.64 114.93 2aj0 n GLU 48 Ca 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 57.16 54.61 2aj0 n GLU 48 Cb 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 31.44 30.04 2aj0 n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2aj0 s ALA 49 N -0.61 0.12 0.31 4.31 0.00 -1.24 -4.53 121.76 120.12 2aj0 s ALA 49 Ca 0.30 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.45 2aj0 s ALA 49 Cb 0.28 0.64 -0.06 0.00 0.00 0.00 0.00 23.12 23.99 2aj0 s ALA 49 CO -0.10 -0.53 -0.14 -1.12 0.00 0.00 0.00 175.76 173.87 2aj0 s SER 50 N -2.93 3.72 0.45 0.00 0.01 -1.26 -4.93 113.70 108.75 2aj0 s SER 50 Ca 0.12 -1.08 0.20 0.00 1.31 0.00 0.00 55.95 56.51 2aj0 s SER 50 Cb 0.05 -0.35 1.17 0.00 0.21 0.00 0.00 66.02 67.10 2aj0 s SER 50 CO -0.05 -0.07 1.89 -0.29 0.41 0.00 0.00 173.24 175.13 2aj0 h ILE 51 N 2.14 0.69 -0.44 1.44 6.09 -2.00 -2.82 117.51 122.62 2aj0 h ILE 51 Ca -0.41 -0.10 0.07 0.00 -1.37 0.00 0.00 64.86 63.05 2aj0 h ILE 51 Cb 1.26 0.36 -0.07 0.00 0.47 0.00 0.00 36.82 38.83 2aj0 h ILE 51 CO 0.64 0.06 -0.16 0.00 -3.07 0.00 0.00 178.15 175.62 2aj0 n GLN 52 N -4.45 -0.09 -0.12 2.19 1.13 -1.26 0.71 117.38 115.49 2aj0 n GLN 52 Ca 0.17 0.67 -0.13 0.00 -1.94 0.00 0.00 57.00 55.78 2aj0 n GLN 52 Cb 0.69 -1.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.01 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 0.79 -0.46 -1.09 4.20 -1.93 -0.17 115.11 116.46 2aj0 h GLN 53 Ca 0.16 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.38 2aj0 h GLN 53 Cb 0.27 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2aj0 h GLN 53 CO -0.43 1.01 -0.14 0.28 -0.67 0.00 0.00 178.83 178.88 2aj0 h VAL 54 N 0.58 1.26 -0.02 -0.54 2.07 0.12 -0.91 116.25 118.81 2aj0 h VAL 54 Ca 0.07 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 2aj0 h VAL 54 Cb 0.82 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2aj0 h VAL 54 CO 0.07 0.43 0.01 -0.08 0.02 0.00 0.00 177.57 178.02 2aj0 h GLU 55 N 0.76 0.03 -0.27 1.57 4.81 -0.09 0.15 114.58 121.54 2aj0 h GLU 55 Ca 0.12 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2aj0 h GLU 55 Cb 0.65 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.96 2aj0 h GLU 55 CO 0.05 0.07 -0.16 0.37 -0.73 0.00 0.00 179.01 178.60 2aj0 h GLN 56 N -0.02 -0.13 -0.51 1.92 4.15 -0.76 0.74 115.11 120.50 2aj0 h GLN 56 Ca 0.01 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.54 2aj0 h GLN 56 Cb 0.05 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.68 2aj0 h GLN 56 CO -0.00 -0.09 -0.01 0.00 -1.93 0.00 0.00 178.83 176.80 2aj0 h ALA 57 N 1.04 0.47 0.00 3.38 0.00 -0.92 -1.21 119.26 122.03 2aj0 h ALA 57 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2aj0 h ALA 57 Cb 0.36 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2aj0 h ALA 57 CO -0.36 -0.39 0.04 0.41 0.00 0.00 0.00 179.25 178.95 2aj0 n GLY 58 N -1.32 -0.44 0.46 0.00 0.00 0.49 -2.47 105.19 101.92 2aj0 n GLY 58 Ca 0.06 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.33 2aj0 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj0 h ALA 59 N 1.83 2.55 -0.87 4.61 0.00 -0.40 0.34 119.26 127.33 2aj0 h ALA 59 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.04 2aj0 h ALA 59 Cb 0.08 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2aj0 h ALA 59 CO 0.00 -1.20 0.56 0.27 0.00 0.00 0.00 179.25 178.89 2aj0 h PHE 60 N 0.00 0.72 0.00 0.00 -5.15 -1.73 -3.15 116.94 107.63 2aj0 h PHE 60 Ca 0.35 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 2aj0 h PHE 60 Cb 1.98 -0.23 0.00 0.00 0.22 0.00 0.00 35.95 37.93 2aj0 h PHE 60 CO 0.00 0.25 0.00 0.39 -2.00 0.00 0.00 178.31 176.95 2aj0 n GLU 61 N -4.54 3.56 -2.88 6.09 1.02 0.17 -5.05 120.64 119.01 2aj0 n GLU 61 Ca 0.17 -0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 2aj0 n GLU 61 Cb 0.52 -0.68 0.06 0.00 -0.02 0.00 0.00 31.44 31.31 2aj0 n GLU 61 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2aj0 n HIS 62 N -0.56 -1.38 -1.36 -0.32 8.25 0.94 -5.00 115.22 115.79 2aj0 n HIS 62 Ca 0.00 0.59 -0.29 0.00 -0.26 0.00 0.00 57.72 57.76 2aj0 n HIS 62 Cb 0.01 -3.91 0.14 0.00 1.12 0.00 0.00 29.99 27.34 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 -4.72 2.02 -0.11 2.41 2.01 -1.21 -5.00 118.68 114.08 2aj0 s LEU 63 Ca 0.02 1.19 0.01 0.00 0.01 0.00 0.00 54.13 55.36 2aj0 s LEU 63 Cb -0.00 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.68 2aj0 s LEU 63 CO 0.46 -2.66 -0.14 -1.59 1.01 0.00 0.00 176.35 173.43 2aj0 s LYS 64 N -5.09 2.08 -0.04 1.70 0.00 -1.23 -4.98 119.74 112.19 2aj0 s LYS 64 Ca 0.64 -0.50 0.03 0.00 0.00 0.00 0.00 55.97 56.13 2aj0 s LYS 64 Cb -0.17 -1.82 0.00 0.00 0.00 0.00 0.00 37.83 35.85 2aj0 s LYS 64 CO 0.56 -0.10 -0.10 0.42 0.00 0.00 0.00 175.35 176.12 2aj0 s ILE 65 N 1.11 0.92 -0.20 3.79 1.01 -1.26 -1.41 121.20 125.16 2aj0 s ILE 65 Ca -0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2aj0 s ILE 65 Cb -0.14 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.50 2aj0 s ILE 65 CO -0.03 0.29 -0.09 -0.63 0.00 0.00 0.00 174.94 174.48 2aj0 s ILE 66 N 0.28 3.04 -1.27 2.92 1.01 0.37 -4.95 121.20 122.60 2aj0 s ILE 66 Ca -0.05 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 2aj0 s ILE 66 Cb -0.10 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 2aj0 s ILE 66 CO 0.01 0.47 2.12 -0.81 0.00 0.00 0.00 174.94 176.73 2aj0 n PRO 67 N 4.53 2.50 0.00 2.79 -0.04 -1.26 -1.28 135.00 142.24 2aj0 n PRO 67 Ca -0.19 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 2aj0 n PRO 67 Cb 0.51 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 2aj0 n PRO 67 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2aj0 n GLU 68 N 6.50 0.00 -1.88 0.54 0.28 -1.26 -5.03 120.64 119.79 2aj0 n GLU 68 Ca 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 2aj0 n GLU 68 Cb 0.40 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.27 2aj0 n GLU 68 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2aj0 n LYS 69 N -0.55 -5.05 -1.63 3.44 4.76 -1.26 -4.88 118.16 113.00 2aj0 n LYS 69 Ca 0.00 3.62 -0.46 0.00 -2.87 0.00 0.00 58.31 58.60 2aj0 n LYS 69 Cb 0.00 -3.87 -0.03 0.00 -1.84 0.00 0.00 35.03 29.29 2aj0 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2aj0 n GLU 70 N 1.47 1.63 0.00 1.97 4.71 -1.26 -5.06 120.64 124.10 2aj0 n GLU 70 Ca 0.00 0.58 0.14 0.00 -0.01 0.00 0.00 57.16 57.87 2aj0 n GLU 70 Cb 0.00 -2.15 0.61 0.00 -1.01 0.00 0.00 31.44 28.89 2aj0 n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22