#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj1 n ALA 2 N 0.00 0.00 -2.31 3.04 0.00 -1.26 -5.10 120.51 114.88 2aj1 n ALA 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2aj1 n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2aj1 n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2aj1 s GLU 3 N 0.00 3.17 0.09 0.00 0.41 -1.22 -4.92 118.70 116.23 2aj1 s GLU 3 Ca 0.00 -1.23 -0.18 0.00 -0.41 0.00 0.00 54.97 53.15 2aj1 s GLU 3 Cb 0.00 -5.32 -0.07 0.00 -1.78 0.00 0.00 34.13 26.96 2aj1 s GLU 3 CO 0.00 -3.00 0.56 -1.59 -0.49 0.00 0.00 175.26 170.74 2aj1 s LYS 4 N 5.62 4.14 -0.01 1.61 -2.85 -1.26 -1.52 119.74 125.46 2aj1 s LYS 4 Ca 0.60 0.67 -0.19 0.00 -1.00 0.00 0.00 55.97 56.06 2aj1 s LYS 4 Cb -0.00 -3.16 0.03 0.00 -2.06 0.00 0.00 37.83 32.65 2aj1 s LYS 4 CO 0.04 0.60 0.40 0.99 0.10 0.00 0.00 175.35 177.48 2aj1 s THR 5 N -1.20 0.05 -0.02 3.79 2.01 -0.06 -4.99 115.64 115.22 2aj1 s THR 5 Ca 0.31 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.96 2aj1 s THR 5 Cb -0.18 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 2aj1 s THR 5 CO 0.19 -0.21 -0.13 0.54 -0.69 0.00 0.00 174.62 174.31 2aj1 s VAL 6 N -1.51 1.09 0.12 3.82 0.11 -1.26 -0.46 120.40 122.30 2aj1 s VAL 6 Ca -0.12 -0.56 0.09 0.00 -2.93 0.00 0.00 61.98 58.46 2aj1 s VAL 6 Cb -0.03 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2aj1 s VAL 6 CO 0.04 0.32 -0.23 -0.31 -3.33 0.00 0.00 175.10 171.59 2aj1 s TYR 7 N -0.13 1.99 0.18 1.54 1.51 -0.25 -3.96 117.35 118.23 2aj1 s TYR 7 Ca 0.02 -0.40 -0.22 0.00 -1.01 0.00 0.00 57.07 55.45 2aj1 s TYR 7 Cb -0.07 -1.08 -0.08 0.00 -0.11 0.00 0.00 41.96 40.62 2aj1 s TYR 7 CO 0.00 0.27 0.72 1.03 -1.11 0.00 0.00 175.55 176.46 2aj1 s ARG 8 N -2.02 4.36 0.08 -0.62 0.52 0.41 -0.41 118.95 121.27 2aj1 s ARG 8 Ca 0.10 0.95 0.09 0.00 -0.52 0.00 0.00 55.73 56.36 2aj1 s ARG 8 Cb -0.10 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 2aj1 s ARG 8 CO 0.05 0.49 -0.24 0.54 0.02 0.00 0.00 175.30 176.16 2aj1 s VAL 9 N -1.34 1.99 -0.02 3.52 0.11 -0.89 -0.14 120.40 123.63 2aj1 s VAL 9 Ca 0.39 -1.50 -0.14 0.00 -2.93 0.00 0.00 61.98 57.80 2aj1 s VAL 9 Cb -0.19 -1.75 0.02 0.00 -1.53 0.00 0.00 36.38 32.93 2aj1 s VAL 9 CO 0.23 0.16 0.29 -0.62 -3.33 0.00 0.00 175.10 171.82 2aj1 s ASP 10 N -1.62 -0.17 0.00 3.54 2.15 -0.98 -4.22 116.67 115.36 2aj1 s ASP 10 Ca 0.10 0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.17 2aj1 s ASP 10 Cb -0.10 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 2aj1 s ASP 10 CO 0.04 -0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2aj1 n GLY 11 N 1.42 2.77 3.85 2.66 0.00 -1.26 -3.87 105.19 110.75 2aj1 n GLY 11 Ca -0.21 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2aj1 n GLY 11 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2aj1 s LEU 12 N 0.00 2.23 -0.41 0.99 0.05 -1.26 -5.07 118.68 115.21 2aj1 s LEU 12 Ca 0.00 0.42 0.02 0.00 0.05 0.00 0.00 54.13 54.62 2aj1 s LEU 12 Cb 0.00 -2.44 0.26 0.00 -2.05 0.00 0.00 46.19 41.96 2aj1 s LEU 12 CO 0.00 -2.96 1.08 -0.24 -0.55 0.00 0.00 176.35 173.67 2aj1 n SER 13 N -3.95 -2.10 -3.68 1.48 2.88 -1.26 -4.51 113.62 102.49 2aj1 n SER 13 Ca 0.14 -2.59 -0.10 0.00 -1.33 0.00 0.00 58.87 54.99 2aj1 n SER 13 Cb 0.60 1.31 -0.11 0.00 -0.75 0.00 0.00 64.21 65.26 2aj1 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aj1 h THR 15 N 5.97 0.76 -0.68 0.00 2.02 -1.98 -0.22 112.91 118.78 2aj1 h THR 15 Ca -0.24 -0.19 0.05 0.00 0.77 0.00 0.00 66.41 66.80 2aj1 h THR 15 Cb 1.14 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2aj1 h THR 15 CO 0.20 0.10 0.39 0.78 0.37 0.00 0.00 175.52 177.36 2aj1 h ASN 16 N 0.57 0.60 -0.43 4.18 4.21 -1.99 0.13 115.58 122.85 2aj1 h ASN 16 Ca 0.40 0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.84 2aj1 h ASN 16 Cb 0.52 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2aj1 h ASN 16 CO -0.33 0.39 -0.09 0.00 -1.29 0.00 0.00 177.43 176.11 2aj1 h ALA 18 N 0.86 0.18 0.28 0.00 0.00 -0.26 0.27 119.26 120.59 2aj1 h ALA 18 Ca 0.11 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2aj1 h ALA 18 Cb 0.62 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2aj1 h ALA 18 CO 0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 179.25 178.64 2aj1 h ALA 19 N 1.27 -0.37 -0.99 0.00 0.00 -0.41 0.52 119.26 119.27 2aj1 h ALA 19 Ca 0.21 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2aj1 h ALA 19 Cb 0.40 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2aj1 h ALA 19 CO -0.49 -0.69 0.63 -0.22 0.00 0.00 0.00 179.25 178.48 2aj1 h LYS 20 N -0.42 0.94 0.38 0.00 3.64 -0.76 -1.22 116.57 119.14 2aj1 h LYS 20 Ca -0.04 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2aj1 h LYS 20 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2aj1 h LYS 20 CO 0.06 0.62 -0.18 0.35 -2.27 0.00 0.00 179.45 178.03 2aj1 h PHE 21 N 0.97 -0.47 -0.90 1.91 3.57 0.35 0.15 116.94 122.51 2aj1 h PHE 21 Ca 0.49 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.07 2aj1 h PHE 21 Cb 0.50 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 2aj1 h PHE 21 CO -0.00 -0.14 0.55 1.05 -2.23 0.00 0.00 178.31 177.53 2aj1 h GLU 22 N -0.90 0.90 0.22 1.11 4.11 -0.75 0.28 114.58 119.55 2aj1 h GLU 22 Ca -0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.31 2aj1 h GLU 22 Cb 0.54 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2aj1 h GLU 22 CO 0.09 0.59 -0.11 -0.09 0.07 0.00 0.00 179.01 179.56 2aj1 h ARG 23 N 0.93 -0.29 -0.61 1.06 2.43 -1.20 0.11 114.38 116.80 2aj1 h ARG 23 Ca 0.43 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.74 2aj1 h ARG 23 Cb 0.34 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.84 2aj1 h ARG 23 CO -0.23 -0.17 -0.16 -0.91 -1.51 0.00 0.00 179.97 176.98 2aj1 h ASN 24 N -0.32 -0.60 0.23 -3.80 4.21 0.50 0.15 115.58 115.95 2aj1 h ASN 24 Ca -0.03 0.19 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 2aj1 h ASN 24 Cb 0.25 0.39 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2aj1 h ASN 24 CO 0.05 -0.21 -0.11 0.58 -1.29 0.00 0.00 177.43 176.45 2aj1 h VAL 25 N -0.01 0.77 -0.95 2.81 2.07 -0.67 -2.77 116.25 117.51 2aj1 h VAL 25 Ca 0.29 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.98 2aj1 h VAL 25 Cb 0.46 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 2aj1 h VAL 25 CO -0.64 0.00 0.60 0.11 0.02 0.00 0.00 177.57 177.66 2aj1 h LYS 26 N -0.31 0.66 0.00 1.57 1.57 0.33 0.87 116.57 121.26 2aj1 h LYS 26 Ca -0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2aj1 h LYS 26 Cb 0.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2aj1 h LYS 26 CO 0.05 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 179.76 2aj1 n GLU 27 N -4.62 0.39 -2.98 3.15 1.02 0.43 -4.68 120.64 113.35 2aj1 n GLU 27 Ca 0.20 0.07 -0.40 0.00 -0.02 0.00 0.00 57.16 57.02 2aj1 n GLU 27 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 2aj1 n GLU 27 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2aj1 s ILE 28 N -2.39 4.47 -0.34 -3.67 1.01 0.30 -4.99 121.20 115.58 2aj1 s ILE 28 Ca 0.22 1.68 0.21 0.00 0.00 0.00 0.00 60.65 62.76 2aj1 s ILE 28 Cb 0.13 -4.13 0.22 0.00 0.01 0.00 0.00 42.46 38.69 2aj1 s ILE 28 CO 0.27 0.48 1.48 -0.33 0.00 0.00 0.00 174.94 176.84 2aj1 h GLU 29 N 4.70 0.00 0.00 2.79 5.08 -1.85 -3.32 114.58 121.97 2aj1 h GLU 29 Ca -0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 2aj1 h GLU 29 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2aj1 h GLU 29 CO 0.67 0.13 -0.41 0.78 -1.00 0.00 0.00 179.01 179.17 2aj1 h GLY 30 N 3.87 0.00 -2.92 -3.84 0.00 -1.93 -3.45 103.07 94.80 2aj1 h GLY 30 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.82 2aj1 h GLY 30 CO 0.02 0.00 -0.14 0.54 0.00 0.00 0.00 176.54 176.96 2aj1 s VAL 31 N -3.24 5.05 -0.10 4.60 0.11 -1.25 -1.34 120.40 124.23 2aj1 s VAL 31 Ca 0.02 -0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 58.87 2aj1 s VAL 31 Cb 0.09 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 2aj1 s VAL 31 CO 0.71 -0.45 -0.19 0.41 -3.33 0.00 0.00 175.10 172.25 2aj1 n THR 32 N -1.34 1.11 -4.33 5.04 -1.04 0.60 -4.85 114.28 109.47 2aj1 n THR 32 Ca -0.03 0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 2aj1 n THR 32 Cb 0.55 -1.86 -0.10 0.00 -1.82 0.00 0.00 70.33 67.10 2aj1 n THR 32 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2aj1 s GLU 33 N -2.39 1.30 -0.15 -2.82 2.02 0.11 -5.00 118.70 111.77 2aj1 s GLU 33 Ca -0.18 -1.60 -0.19 0.00 0.02 0.00 0.00 54.97 53.01 2aj1 s GLU 33 Cb 0.05 -0.92 0.05 0.00 0.10 0.00 0.00 34.13 33.41 2aj1 s GLU 33 CO 0.25 0.09 0.51 0.00 0.02 0.00 0.00 175.26 176.13 2aj1 s ALA 34 N -3.14 -1.28 -0.24 5.21 0.00 -1.26 0.28 121.76 121.33 2aj1 s ALA 34 Ca 0.23 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.45 2aj1 s ALA 34 Cb 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.62 2aj1 s ALA 34 CO 0.06 -0.27 0.06 0.42 0.00 0.00 0.00 175.76 176.03 2aj1 s ILE 35 N -0.17 0.65 -0.36 0.00 1.01 0.59 -4.98 121.20 117.94 2aj1 s ILE 35 Ca -0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2aj1 s ILE 35 Cb -0.03 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2aj1 s ILE 35 CO 0.03 -0.39 0.25 0.68 0.00 0.00 0.00 174.94 175.51 2aj1 s VAL 36 N 1.77 5.23 -1.05 2.92 -7.23 -1.26 -0.72 120.40 120.06 2aj1 s VAL 36 Ca 0.03 -0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 59.78 2aj1 s VAL 36 Cb -0.17 -3.76 0.30 0.00 0.56 0.00 0.00 36.38 33.30 2aj1 s VAL 36 CO -0.15 -0.10 1.34 0.59 -0.31 0.00 0.00 175.10 176.46 2aj1 n ASN 37 N 5.12 6.00 -4.85 4.85 3.02 0.11 -5.00 115.26 124.51 2aj1 n ASN 37 Ca -0.12 -3.33 -0.32 0.00 -0.03 0.00 0.00 54.58 50.78 2aj1 n ASN 37 Cb 0.49 -1.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.39 2aj1 n ASN 37 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2aj1 s PHE 38 N -2.42 3.49 0.00 3.10 0.40 -1.26 -1.20 117.98 120.09 2aj1 s PHE 38 Ca 0.31 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 2aj1 s PHE 38 Cb 0.02 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.77 2aj1 s PHE 38 CO 0.05 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 175.92 2aj1 n GLY 39 N -1.88 2.81 2.69 4.36 0.00 -1.26 -4.80 105.19 107.12 2aj1 n GLY 39 Ca 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 2aj1 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj1 n ALA 40 N 0.00 -1.24 -2.00 4.61 0.00 -1.26 -4.60 120.51 116.01 2aj1 n ALA 40 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2aj1 n ALA 40 Cb 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2aj1 n ALA 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2aj1 n SER 41 N -0.05 0.00 -3.73 0.00 7.64 -1.24 -5.09 113.62 111.15 2aj1 n SER 41 Ca -0.07 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.72 2aj1 n SER 41 Cb 0.74 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.91 2aj1 n SER 41 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2aj1 s LYS 42 N 2.22 1.49 -0.17 1.43 -2.85 -0.34 -2.10 119.74 119.41 2aj1 s LYS 42 Ca 0.00 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.97 54.09 2aj1 s LYS 42 Cb 0.00 0.55 0.05 0.00 -2.06 0.00 0.00 37.83 36.38 2aj1 s LYS 42 CO 0.00 -0.65 0.02 -1.50 0.10 0.00 0.00 175.35 173.32 2aj1 s ILE 43 N -3.87 0.56 -0.04 3.79 -1.16 0.46 0.05 121.20 120.99 2aj1 s ILE 43 Ca 0.09 -0.45 -0.19 0.00 -0.51 0.00 0.00 60.65 59.59 2aj1 s ILE 43 Cb -0.02 -0.97 -0.05 0.00 0.61 0.00 0.00 42.46 42.02 2aj1 s ILE 43 CO -0.01 -0.10 0.52 -0.89 -2.81 0.00 0.00 174.94 171.66 2aj1 s THR 44 N 1.85 5.02 0.04 4.00 2.01 0.11 -1.09 115.64 127.57 2aj1 s THR 44 Ca 0.00 1.07 0.07 0.00 0.31 0.00 0.00 61.69 63.14 2aj1 s THR 44 Cb -0.16 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2aj1 s THR 44 CO -0.07 0.42 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.42 2aj1 s VAL 45 N -0.12 2.89 -0.09 3.82 1.01 0.39 -0.30 120.40 128.00 2aj1 s VAL 45 Ca 0.28 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2aj1 s VAL 45 Cb -0.17 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.03 2aj1 s VAL 45 CO 0.14 0.33 0.19 -0.89 0.00 0.00 0.00 175.10 174.88 2aj1 s THR 46 N -0.94 -0.15 0.00 3.92 2.01 0.14 -0.88 115.64 119.74 2aj1 s THR 46 Ca 0.15 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2aj1 s THR 46 Cb -0.11 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2aj1 s THR 46 CO 0.06 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2aj1 n GLY 47 N 4.67 -1.31 2.65 4.40 0.00 -0.58 0.05 105.19 115.08 2aj1 n GLY 47 Ca -0.18 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 2aj1 n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2aj1 n GLU 48 N 0.00 1.10 -4.28 1.61 2.13 -0.45 -3.41 120.64 117.34 2aj1 n GLU 48 Ca 0.00 -2.18 -0.15 0.00 0.66 0.00 0.00 57.16 55.49 2aj1 n GLU 48 Cb 0.00 -0.71 -0.10 0.00 0.27 0.00 0.00 31.44 30.90 2aj1 n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2aj1 s ALA 49 N -0.42 1.55 0.20 4.31 0.00 -1.22 -4.63 121.76 121.55 2aj1 s ALA 49 Ca 0.24 -1.81 0.07 0.00 0.00 0.00 0.00 51.96 50.46 2aj1 s ALA 49 Cb 0.36 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.57 2aj1 s ALA 49 CO -0.06 -0.49 -0.13 -1.12 0.00 0.00 0.00 175.76 173.96 2aj1 s SER 50 N -3.26 2.41 0.39 0.00 0.01 -1.26 -4.90 113.70 107.08 2aj1 s SER 50 Ca 0.38 -1.03 0.13 0.00 1.31 0.00 0.00 55.95 56.73 2aj1 s SER 50 Cb 0.08 -0.11 0.95 0.00 0.21 0.00 0.00 66.02 67.14 2aj1 s SER 50 CO 0.13 -0.22 1.88 -0.29 0.41 0.00 0.00 173.24 175.14 2aj1 h ILE 51 N 2.59 0.78 -0.62 1.44 6.09 -1.99 -2.97 117.51 122.82 2aj1 h ILE 51 Ca -0.38 -0.19 0.13 0.00 -1.37 0.00 0.00 64.86 63.05 2aj1 h ILE 51 Cb 1.22 0.18 -0.12 0.00 0.47 0.00 0.00 36.82 38.57 2aj1 h ILE 51 CO 0.63 0.10 -0.14 0.00 -3.07 0.00 0.00 178.15 175.66 2aj1 n GLN 52 N -4.53 -0.06 -0.11 2.19 1.13 -1.26 0.74 117.38 115.49 2aj1 n GLN 52 Ca 0.17 0.96 -0.13 0.00 -1.94 0.00 0.00 57.00 56.07 2aj1 n GLN 52 Cb 0.55 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.42 2aj1 n GLN 52 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2aj1 h GLN 53 N 0.00 0.76 -0.22 -1.09 4.20 -1.96 -0.50 115.11 116.30 2aj1 h GLN 53 Ca 0.30 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2aj1 h GLN 53 Cb 0.48 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2aj1 h GLN 53 CO -0.63 0.99 0.12 0.28 -0.67 0.00 0.00 178.83 178.93 2aj1 h VAL 54 N 0.53 1.11 -0.13 -0.54 2.07 0.16 -0.39 116.25 119.05 2aj1 h VAL 54 Ca 0.06 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2aj1 h VAL 54 Cb 0.82 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2aj1 h VAL 54 CO 0.07 0.11 -0.30 -0.08 0.02 0.00 0.00 177.57 177.38 2aj1 h GLU 55 N 0.26 -0.36 -0.17 1.57 4.81 -0.32 0.15 114.58 120.51 2aj1 h GLU 55 Ca 0.08 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2aj1 h GLU 55 Cb 0.06 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 2aj1 h GLU 55 CO -0.01 -0.24 -0.23 0.37 -0.73 0.00 0.00 179.01 178.16 2aj1 h GLN 56 N -0.38 -0.26 -0.86 1.92 4.15 -0.85 -0.58 115.11 118.25 2aj1 h GLN 56 Ca 0.10 0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.74 2aj1 h GLN 56 Cb 0.53 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 28.16 2aj1 h GLN 56 CO -0.35 -0.18 0.36 0.00 -1.93 0.00 0.00 178.83 176.74 2aj1 h ALA 57 N 0.72 1.32 0.00 3.38 0.00 -0.36 -0.09 119.26 124.23 2aj1 h ALA 57 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2aj1 h ALA 57 Cb 0.45 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2aj1 h ALA 57 CO -0.33 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.02 2aj1 n GLY 58 N -1.34 -0.72 0.39 0.00 0.00 0.46 -2.95 105.19 101.03 2aj1 n GLY 58 Ca 0.20 -0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.33 2aj1 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj1 h ALA 59 N 2.83 2.06 -0.73 4.61 0.00 -0.71 0.26 119.26 127.57 2aj1 h ALA 59 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 2aj1 h ALA 59 Cb 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2aj1 h ALA 59 CO 0.00 -0.75 0.50 0.27 0.00 0.00 0.00 179.25 179.27 2aj1 h PHE 60 N 0.00 0.38 0.00 0.00 -5.15 -1.77 -3.03 116.94 107.37 2aj1 h PHE 60 Ca 0.18 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 2aj1 h PHE 60 Cb 1.28 -0.12 0.00 0.00 0.22 0.00 0.00 35.95 37.34 2aj1 h PHE 60 CO 0.00 0.14 0.00 0.39 -2.00 0.00 0.00 178.31 176.84 2aj1 n GLU 61 N -4.45 0.21 -3.13 6.09 1.02 -0.02 -5.04 120.64 115.32 2aj1 n GLU 61 Ca 0.14 -0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 56.80 2aj1 n GLU 61 Cb 0.58 -0.83 0.06 0.00 -0.02 0.00 0.00 31.44 31.23 2aj1 n GLU 61 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2aj1 n HIS 62 N -0.13 -1.76 -2.11 -0.32 8.25 0.72 -4.98 115.22 114.88 2aj1 n HIS 62 Ca 0.00 0.71 -0.35 0.00 -0.26 0.00 0.00 57.72 57.82 2aj1 n HIS 62 Cb 0.04 -4.19 0.02 0.00 1.12 0.00 0.00 29.99 26.97 2aj1 n HIS 62 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2aj1 s LEU 63 N -5.34 3.65 -0.19 2.41 2.01 -1.17 -5.00 118.68 115.06 2aj1 s LEU 63 Ca 0.12 2.14 -0.05 0.00 0.01 0.00 0.00 54.13 56.36 2aj1 s LEU 63 Cb -0.05 -4.57 -0.02 0.00 0.01 0.00 0.00 46.19 41.55 2aj1 s LEU 63 CO 0.54 -1.35 -0.01 -1.59 1.01 0.00 0.00 176.35 174.94 2aj1 s LYS 64 N -3.51 3.61 -0.18 1.70 0.00 -1.25 -4.90 119.74 115.22 2aj1 s LYS 64 Ca 0.71 -0.53 0.01 0.00 0.00 0.00 0.00 55.97 56.17 2aj1 s LYS 64 Cb -0.23 -3.03 0.02 0.00 0.00 0.00 0.00 37.83 34.59 2aj1 s LYS 64 CO 0.31 0.06 -0.20 0.42 0.00 0.00 0.00 175.35 175.94 2aj1 s ILE 65 N 0.86 2.06 -0.16 3.79 1.01 -1.26 -2.32 121.20 125.18 2aj1 s ILE 65 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 2aj1 s ILE 65 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2aj1 s ILE 65 CO 0.02 0.54 -0.00 -0.63 0.00 0.00 0.00 174.94 174.87 2aj1 s ILE 66 N 1.27 4.23 -0.12 2.92 1.01 0.80 -4.93 121.20 126.38 2aj1 s ILE 66 Ca 0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 2aj1 s ILE 66 Cb -0.13 -2.87 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 2aj1 s ILE 66 CO -0.13 0.49 2.01 -2.16 0.00 0.00 0.00 174.94 175.16 2aj1 s PRO 67 N 0.29 3.64 -0.57 2.79 0.04 -1.26 -0.44 135.00 139.48 2aj1 s PRO 67 Ca -0.01 2.18 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 2aj1 s PRO 67 Cb -0.13 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2aj1 s PRO 67 CO 0.02 -1.52 1.70 -1.91 0.04 0.00 0.00 177.00 175.33 2aj1 n GLU 68 N 8.10 1.29 -2.14 4.56 2.13 -1.25 -4.86 120.64 128.46 2aj1 n GLU 68 Ca 0.24 -1.12 -0.41 0.00 0.66 0.00 0.00 57.16 56.53 2aj1 n GLU 68 Cb 0.44 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 2aj1 n GLU 68 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2aj1 s LYS 69 N 4.10 3.10 0.29 5.31 2.20 -1.26 -4.96 119.74 128.51 2aj1 s LYS 69 Ca 0.27 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.46 2aj1 s LYS 69 Cb 0.07 -4.23 -0.14 0.00 -1.51 0.00 0.00 37.83 32.02 2aj1 s LYS 69 CO -0.01 -2.16 1.18 -1.91 -0.36 0.00 0.00 175.35 172.09 2aj1 n GLU 70 N 8.71 1.68 -0.67 4.03 2.13 -1.26 -5.25 120.64 130.02 2aj1 n GLU 70 Ca 0.19 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2aj1 n GLU 70 Cb 0.49 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2aj1 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72