#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj6 n HIS 0 N 0.00 0.00 0.00 -1.40 -0.00 -1.26 -4.94 115.22 107.61 2aj6 n HIS 0 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 57.72 57.25 2aj6 n HIS 0 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.67 2aj6 n HIS 0 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2aj6 n ARG 2 N 1.38 0.00 -2.13 -0.41 1.85 -0.69 -0.79 116.66 115.86 2aj6 n ARG 2 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2aj6 n ARG 2 Cb 0.28 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.66 2aj6 n ARG 2 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2aj6 s THR 3 N -2.00 3.03 -0.00 8.89 2.01 -1.26 -1.02 115.64 125.29 2aj6 s THR 3 Ca 0.00 0.82 -0.28 0.00 0.31 0.00 0.00 61.69 62.55 2aj6 s THR 3 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2aj6 s THR 3 CO 0.00 0.11 0.88 -0.22 -0.69 0.00 0.00 174.62 174.70 2aj6 s LEU 4 N 0.11 4.38 0.19 4.42 2.96 -0.06 -4.89 118.68 125.79 2aj6 s LEU 4 Ca 0.60 1.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.01 2aj6 s LEU 4 Cb -0.39 -3.41 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 2aj6 s LEU 4 CO 0.38 -0.17 0.39 0.20 -1.32 0.00 0.00 176.35 175.82 2aj6 s ASN 5 N 0.75 6.42 0.50 3.68 0.01 -1.26 -4.71 114.94 120.32 2aj6 s ASN 5 Ca 0.46 0.47 0.34 0.00 -0.71 0.00 0.00 52.86 53.42 2aj6 s ASN 5 Cb -0.20 -2.04 1.63 0.00 0.41 0.00 0.00 41.25 41.05 2aj6 s ASN 5 CO 0.25 -0.02 2.02 0.07 -1.51 0.00 0.00 177.10 177.91 2aj6 h LYS 6 N 2.25 0.00 -0.01 -0.60 2.10 -1.94 -2.10 116.57 116.27 2aj6 h LYS 6 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2aj6 h LYS 6 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2aj6 h LYS 6 CO 0.69 0.00 -0.00 -0.40 -2.00 0.00 0.00 179.45 177.74 2aj6 n ASP 7 N -2.81 1.35 -3.95 7.07 5.75 -1.26 -4.62 116.55 118.08 2aj6 n ASP 7 Ca -0.01 -1.45 -0.43 0.00 -0.01 0.00 0.00 54.79 52.90 2aj6 n ASP 7 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2aj6 n ASP 7 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2aj6 n GLU 8 N 0.06 3.29 -0.27 0.11 1.02 -0.79 -4.82 120.64 119.24 2aj6 n GLU 8 Ca 0.19 -3.22 -0.05 0.00 -0.02 0.00 0.00 57.16 54.06 2aj6 n GLU 8 Cb 0.33 -3.12 0.08 0.00 -0.02 0.00 0.00 31.44 28.71 2aj6 n GLU 8 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2aj6 h HIS 9 N 6.16 1.17 -0.21 -0.32 3.86 -1.87 -1.50 115.15 122.45 2aj6 h HIS 9 Ca 0.45 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.42 2aj6 h HIS 9 Cb 0.68 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2aj6 h HIS 9 CO 1.32 0.90 -0.49 -0.91 0.86 0.00 0.00 177.93 179.62 2aj6 h ASN 10 N 1.11 0.61 -0.54 2.45 2.35 -1.99 0.54 115.58 120.10 2aj6 h ASN 10 Ca 0.25 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 2aj6 h ASN 10 Cb 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2aj6 h ASN 10 CO -0.02 1.00 -0.06 1.88 -1.65 0.00 0.00 177.43 178.58 2aj6 h TYR 11 N 0.44 1.12 -0.49 1.19 0.05 -1.91 -2.22 116.97 115.15 2aj6 h TYR 11 Ca 0.02 -0.21 -0.09 0.00 0.05 0.00 0.00 58.73 58.50 2aj6 h TYR 11 Cb 1.02 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 2aj6 h TYR 11 CO 0.04 1.02 -0.05 0.82 -1.05 0.00 0.00 178.16 178.94 2aj6 h ILE 12 N 0.92 1.27 -0.69 -2.88 2.04 -0.99 -0.85 117.51 116.32 2aj6 h ILE 12 Ca 0.15 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.91 2aj6 h ILE 12 Cb 0.62 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2aj6 h ILE 12 CO 0.04 0.40 0.39 0.11 0.00 0.00 0.00 178.15 179.10 2aj6 h LYS 13 N 0.76 0.71 -0.50 2.37 1.57 -0.88 -0.28 116.57 120.30 2aj6 h LYS 13 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2aj6 h LYS 13 Cb 0.59 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2aj6 h LYS 13 CO 0.04 0.47 0.24 1.96 -0.57 0.00 0.00 179.45 181.58 2aj6 h GLN 14 N 0.73 0.72 -0.44 3.15 4.20 -0.96 -0.91 115.11 121.60 2aj6 h GLN 14 Ca 0.31 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2aj6 h GLN 14 Cb 0.17 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2aj6 h GLN 14 CO -0.18 0.61 0.23 0.82 -0.67 0.00 0.00 178.83 179.64 2aj6 h ILE 15 N 0.67 1.17 -0.35 2.54 2.04 -0.91 -1.53 117.51 121.14 2aj6 h ILE 15 Ca 0.17 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2aj6 h ILE 15 Cb 0.13 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2aj6 h ILE 15 CO -0.02 0.18 0.11 0.00 0.00 0.00 0.00 178.15 178.42 2aj6 h ALA 16 N 1.08 0.40 -0.08 1.87 0.00 -0.84 -0.02 119.26 121.67 2aj6 h ALA 16 Ca 0.15 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2aj6 h ALA 16 Cb 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2aj6 h ALA 16 CO -0.02 -0.29 -0.07 -0.91 0.00 0.00 0.00 179.25 177.96 2aj6 h ASN 17 N 0.25 -0.21 -0.49 0.00 2.35 -1.00 -1.70 115.58 114.78 2aj6 h ASN 17 Ca 0.16 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 2aj6 h ASN 17 Cb 0.15 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 2aj6 h ASN 17 CO -0.18 -0.09 0.20 0.40 -1.65 0.00 0.00 177.43 176.11 2aj6 h ILE 18 N -0.08 1.21 0.00 2.81 2.04 -0.96 -1.17 117.51 121.36 2aj6 h ILE 18 Ca 0.05 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.29 2aj6 h ILE 18 Cb 0.16 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2aj6 h ILE 18 CO -0.13 0.24 -0.05 -0.74 0.00 0.00 0.00 178.15 177.47 2aj6 h HIS 19 N 0.65 -0.13 -0.71 1.37 2.76 -0.87 -0.41 115.15 117.80 2aj6 h HIS 19 Ca 0.16 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 2aj6 h HIS 19 Cb 0.18 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 2aj6 h HIS 19 CO 0.00 -0.09 0.18 0.93 -1.30 0.00 0.00 177.93 177.65 2aj6 h GLU 20 N -0.10 1.13 -0.10 5.26 4.39 -1.21 -1.86 114.58 122.09 2aj6 h GLU 20 Ca 0.02 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.47 2aj6 h GLU 20 Cb 0.12 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2aj6 h GLU 20 CO -0.06 0.99 -0.01 1.15 -1.16 0.00 0.00 179.01 179.92 2aj6 h THR 21 N 1.06 0.91 -0.84 1.13 2.02 -0.95 -1.51 112.91 114.73 2aj6 h THR 21 Ca 0.22 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 2aj6 h THR 21 Cb 0.37 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2aj6 h THR 21 CO 0.00 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 176.32 2aj6 h LEU 22 N 0.02 1.02 -0.55 2.58 3.38 -0.81 -1.18 115.31 119.77 2aj6 h LEU 22 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2aj6 h LEU 22 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2aj6 h LEU 22 CO -0.09 0.79 0.20 -0.07 0.09 0.00 0.00 178.44 179.36 2aj6 h LEU 23 N 1.16 0.78 -1.07 1.67 3.38 -1.19 -2.86 115.31 117.19 2aj6 h LEU 23 Ca 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2aj6 h LEU 23 Cb -0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2aj6 h LEU 23 CO -0.05 0.75 0.50 -1.28 0.09 0.00 0.00 178.44 178.45 2aj6 h SER 24 N 0.76 1.01 0.66 -0.43 0.87 -0.76 -2.92 113.55 112.74 2aj6 h SER 24 Ca 0.18 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2aj6 h SER 24 Cb 0.23 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2aj6 h SER 24 CO -0.01 0.78 0.00 1.56 -0.53 0.00 0.00 176.83 178.63 2aj6 h GLN 25 N 1.16 0.00 0.00 2.24 4.20 -0.98 -1.77 115.11 119.95 2aj6 h GLN 25 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2aj6 h GLN 25 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2aj6 h GLN 25 CO -0.06 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.43 2aj6 n VAL 26 N -2.87 0.08 -3.69 -0.54 0.24 -1.10 -4.94 118.33 105.51 2aj6 n VAL 26 Ca -0.00 0.01 -0.25 0.00 -2.04 0.00 0.00 64.34 62.06 2aj6 n VAL 26 Cb 0.22 -0.54 0.06 0.00 -1.47 0.00 0.00 33.84 32.11 2aj6 n VAL 26 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2aj6 n GLU 27 N -1.52 -6.60 -3.05 7.34 1.02 -0.67 -4.94 120.64 112.21 2aj6 n GLU 27 Ca 0.07 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.55 2aj6 n GLU 27 Cb 0.33 -5.66 -0.01 0.00 -0.02 0.00 0.00 31.44 26.08 2aj6 n GLU 27 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2aj6 n SER 28 N -2.98 5.93 -4.01 1.62 2.88 -1.26 -4.79 113.62 111.00 2aj6 n SER 28 Ca -0.06 -3.46 -0.31 0.00 -1.33 0.00 0.00 58.87 53.71 2aj6 n SER 28 Cb 0.58 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2aj6 n SER 28 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2aj6 n ASN 29 N 1.04 -3.43 -3.67 -3.46 0.23 -1.26 -4.94 115.26 99.76 2aj6 n ASN 29 Ca 0.29 -0.89 -0.10 0.00 -0.53 0.00 0.00 54.58 53.35 2aj6 n ASN 29 Cb 0.34 -3.41 -0.10 0.00 -2.08 0.00 0.00 39.78 34.53 2aj6 n ASN 29 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2aj6 s TYR 30 N -3.41 -0.69 -0.03 -2.53 5.04 -1.26 -5.16 117.35 109.30 2aj6 s TYR 30 Ca 0.55 1.40 0.04 0.00 -2.44 0.00 0.00 57.07 56.62 2aj6 s TYR 30 Cb -0.29 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.29 2aj6 s TYR 30 CO 0.87 -0.42 -0.15 0.15 -1.34 0.00 0.00 175.55 174.66 2aj6 s LYS 31 N 2.08 1.52 0.34 4.97 3.01 -1.26 -4.36 119.74 126.04 2aj6 s LYS 31 Ca -0.05 -0.54 -0.26 0.00 -1.01 0.00 0.00 55.97 54.11 2aj6 s LYS 31 Cb -0.10 -1.36 -0.10 0.00 -1.01 0.00 0.00 37.83 35.25 2aj6 s LYS 31 CO -0.13 0.24 0.97 0.00 0.51 0.00 0.00 175.35 176.94 2aj6 s THR 33 N -1.64 0.19 0.24 0.00 -4.23 -1.26 -5.01 115.64 103.93 2aj6 s THR 33 Ca 0.52 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 2aj6 s THR 33 Cb -0.19 -2.05 0.21 0.00 1.34 0.00 0.00 72.50 71.82 2aj6 s THR 33 CO 0.24 -0.48 1.85 0.50 -0.54 0.00 0.00 174.62 176.19 2aj6 h LYS 34 N 2.84 0.92 -0.28 3.99 3.11 -1.99 -0.58 116.57 124.57 2aj6 h LYS 34 Ca -0.35 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.42 2aj6 h LYS 34 Cb 1.20 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 2aj6 h LYS 34 CO 0.60 0.61 0.12 1.25 -2.81 0.00 0.00 179.45 179.21 2aj6 h LEU 35 N 0.94 0.38 -1.29 5.20 5.85 -1.99 -0.97 115.31 123.44 2aj6 h LEU 35 Ca 0.38 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2aj6 h LEU 35 Cb 0.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2aj6 h LEU 35 CO -0.18 0.43 0.22 0.77 -0.34 0.00 0.00 178.44 179.34 2aj6 h SER 36 N 0.31 0.64 -0.27 1.25 4.64 -1.80 -0.60 113.55 117.72 2aj6 h SER 36 Ca 0.09 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 2aj6 h SER 36 Cb 0.17 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2aj6 h SER 36 CO -0.01 0.57 -0.39 0.40 -0.87 0.00 0.00 176.83 176.52 2aj6 h ILE 37 N 0.71 1.30 -0.64 0.95 2.04 -0.88 -0.45 117.51 120.54 2aj6 h ILE 37 Ca 0.18 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2aj6 h ILE 37 Cb 0.11 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2aj6 h ILE 37 CO -0.02 0.51 0.37 0.00 0.00 0.00 0.00 178.15 179.01 2aj6 h ALA 38 N 0.67 0.82 -0.49 1.87 0.00 -0.62 -0.76 119.26 120.76 2aj6 h ALA 38 Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2aj6 h ALA 38 Cb 0.99 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2aj6 h ALA 38 CO 0.09 0.31 -0.21 -0.07 0.00 0.00 0.00 179.25 179.37 2aj6 h LEU 39 N 0.87 1.03 -0.79 0.00 3.38 -1.04 -2.35 115.31 116.41 2aj6 h LEU 39 Ca 0.23 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2aj6 h LEU 39 Cb 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2aj6 h LEU 39 CO -0.04 1.19 0.52 -0.09 0.09 0.00 0.00 178.44 180.11 2aj6 h ARG 40 N 0.86 1.03 -0.03 1.13 9.65 -0.82 -2.82 114.38 123.39 2aj6 h ARG 40 Ca 0.11 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2aj6 h ARG 40 Cb 0.79 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 2aj6 h ARG 40 CO 0.07 0.68 -0.15 -0.92 2.80 0.00 0.00 179.97 182.44 2aj6 h TYR 41 N 1.06 -0.39 0.00 2.20 3.20 -0.92 -0.72 116.97 121.39 2aj6 h TYR 41 Ca 0.30 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2aj6 h TYR 41 Cb -0.10 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.35 2aj6 h TYR 41 CO -0.02 -0.22 0.00 0.39 -1.64 0.00 0.00 178.16 176.67 2aj6 n GLU 42 N -5.29 0.00 0.00 1.82 1.02 -0.90 -1.43 120.64 115.86 2aj6 n GLU 42 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2aj6 n GLU 42 Cb 0.21 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2aj6 n GLU 42 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2aj6 n ILE 44 N 0.72 0.00 -0.28 -3.67 5.41 -0.28 -1.06 119.36 120.20 2aj6 n ILE 44 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2aj6 n ILE 44 Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.03 2aj6 n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aj6 h SER 46 N 0.93 0.71 -0.86 0.00 0.87 -1.36 -2.33 113.55 111.51 2aj6 h SER 46 Ca 0.32 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2aj6 h SER 46 Cb 0.06 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 2aj6 h SER 46 CO -0.13 0.75 0.54 0.03 -0.53 0.00 0.00 176.83 177.49 2aj6 h ARG 47 N 0.64 0.99 0.00 2.24 2.47 -1.72 -2.25 114.38 116.75 2aj6 h ARG 47 Ca 0.15 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2aj6 h ARG 47 Cb 0.30 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2aj6 h ARG 47 CO -0.00 0.66 0.00 1.28 0.56 0.00 0.00 179.97 182.46 2aj6 n LEU 48 N -4.59 0.16 0.15 3.04 4.77 -0.24 -2.46 117.00 117.83 2aj6 n LEU 48 Ca 0.12 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 2aj6 n LEU 48 Cb 0.14 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 2aj6 n LEU 48 CO 0.32 -0.18 0.39 -0.33 -1.33 0.00 0.00 177.39 176.26 2aj6 h GLU 49 N 0.00 0.00 0.00 3.23 5.08 -0.88 -3.43 114.58 118.58 2aj6 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aj6 h GLU 49 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2aj6 h GLU 49 CO 0.00 0.18 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 2aj6 n HIS 50 N -3.01 0.00 0.02 4.33 8.25 -1.03 -5.06 115.22 118.72 2aj6 n HIS 50 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2aj6 n HIS 50 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2aj6 n HIS 50 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2aj6 n THR 51 N 0.00 0.19 1.36 1.59 5.66 -1.26 -4.71 114.28 117.11 2aj6 n THR 51 Ca 0.00 -0.60 0.13 0.00 -3.05 0.00 0.00 64.05 60.54 2aj6 n THR 51 Cb 0.00 0.91 0.42 0.00 -1.55 0.00 0.00 70.33 70.11 2aj6 n THR 51 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2aj6 n ASN 52 N -0.06 1.63 -4.24 1.09 3.02 -1.26 -4.91 115.26 110.53 2aj6 n ASN 52 Ca 0.00 -1.44 -0.20 0.00 -0.03 0.00 0.00 54.58 52.91 2aj6 n ASN 52 Cb 0.06 0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.16 2aj6 n ASN 52 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2aj6 s ASP 53 N -2.12 2.12 -0.04 6.41 1.11 -1.26 0.05 116.67 122.94 2aj6 s ASP 53 Ca 0.33 -0.72 -0.02 0.00 0.18 0.00 0.00 52.55 52.32 2aj6 s ASP 53 Cb 0.20 -0.09 0.03 0.00 1.07 0.00 0.00 42.92 44.13 2aj6 s ASP 53 CO 0.38 -0.05 0.09 -0.75 1.18 0.00 0.00 175.17 176.01 2aj6 s LYS 54 N -2.17 0.05 -0.16 8.23 2.47 -0.38 -4.91 119.74 122.87 2aj6 s LYS 54 Ca 0.05 0.24 0.01 0.00 -1.56 0.00 0.00 55.97 54.71 2aj6 s LYS 54 Cb -0.08 -0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.17 2aj6 s LYS 54 CO 0.03 -0.13 -0.17 0.42 0.16 0.00 0.00 175.35 175.66 2aj6 s ILE 55 N 0.85 1.84 -0.19 5.43 1.01 -1.26 -0.70 121.20 128.18 2aj6 s ILE 55 Ca -0.07 -0.80 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2aj6 s ILE 55 Cb -0.09 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 2aj6 s ILE 55 CO -0.03 0.50 0.17 -0.31 0.00 0.00 0.00 174.94 175.27 2aj6 s TYR 56 N 1.35 3.42 0.21 3.97 2.02 -0.31 -0.88 117.35 127.14 2aj6 s TYR 56 Ca 0.04 0.40 0.07 0.00 -0.37 0.00 0.00 57.07 57.21 2aj6 s TYR 56 Cb -0.13 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 2aj6 s TYR 56 CO -0.11 0.28 0.11 0.96 -1.57 0.00 0.00 175.55 175.21 2aj6 s ILE 57 N 0.39 4.19 -0.23 2.71 -4.36 -0.19 -0.95 121.20 122.76 2aj6 s ILE 57 Ca 0.10 -1.37 -0.02 0.00 -0.26 0.00 0.00 60.65 59.10 2aj6 s ILE 57 Cb -0.11 -3.19 0.01 0.00 1.25 0.00 0.00 42.46 40.42 2aj6 s ILE 57 CO -0.01 -0.23 -0.07 -0.47 0.24 0.00 0.00 174.94 174.41 2aj6 s TYR 58 N -1.96 2.99 0.15 1.37 6.14 0.12 -1.71 117.35 124.46 2aj6 s TYR 58 Ca 0.31 -1.30 0.10 0.00 0.64 0.00 0.00 57.07 56.82 2aj6 s TYR 58 Cb -0.09 -2.07 -0.04 0.00 0.42 0.00 0.00 41.96 40.19 2aj6 s TYR 58 CO 0.23 -0.66 -0.22 -1.83 0.64 0.00 0.00 175.55 173.70 2aj6 s GLU 59 N 1.39 1.34 -0.15 4.97 -1.05 0.03 -0.59 118.70 124.65 2aj6 s GLU 59 Ca 0.03 -1.38 -0.08 0.00 -0.15 0.00 0.00 54.97 53.39 2aj6 s GLU 59 Cb -0.15 -1.61 0.05 0.00 -0.44 0.00 0.00 34.13 31.98 2aj6 s GLU 59 CO -0.05 0.36 0.35 1.21 0.95 0.00 0.00 175.26 178.08 2aj6 s ASN 60 N -2.39 -0.43 -1.40 0.83 2.47 -0.52 -4.61 114.94 108.89 2aj6 s ASN 60 Ca 0.15 0.76 -0.07 0.00 0.42 0.00 0.00 52.86 54.12 2aj6 s ASN 60 Cb -0.08 0.65 0.04 0.00 -1.45 0.00 0.00 41.25 40.40 2aj6 s ASN 60 CO 0.07 -0.18 0.92 -0.62 -3.72 0.00 0.00 177.10 173.57 2aj6 n GLU 61 N 4.23 -5.82 -1.23 0.43 1.02 -1.26 -0.93 120.64 117.09 2aj6 n GLU 61 Ca -0.24 0.66 -0.08 0.00 -0.02 0.00 0.00 57.16 57.49 2aj6 n GLU 61 Cb 0.54 -5.48 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 2aj6 n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aj6 n GLY 62 N -1.66 0.90 3.38 0.62 0.00 -1.26 -4.99 105.19 102.18 2aj6 n GLY 62 Ca -0.10 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 2aj6 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aj6 s GLN 63 N -2.37 2.10 -0.45 1.61 -0.21 -0.10 -5.09 119.66 115.15 2aj6 s GLN 63 Ca 0.00 -0.94 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 2aj6 s GLN 63 Cb 0.00 -2.12 0.03 0.00 1.00 0.00 0.00 33.01 31.91 2aj6 s GLN 63 CO 0.00 0.56 0.98 -1.17 -2.12 0.00 0.00 175.29 173.54 2aj6 s LEU 64 N -0.96 3.91 -0.08 2.90 2.96 -1.26 -1.43 118.68 124.72 2aj6 s LEU 64 Ca 0.12 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 2aj6 s LEU 64 Cb -0.10 -3.30 -0.28 0.00 0.50 0.00 0.00 46.19 43.00 2aj6 s LEU 64 CO 0.01 -1.06 0.54 0.40 -1.32 0.00 0.00 176.35 174.92 2aj6 h ILE 65 N 6.07 0.80 -2.70 6.68 1.08 -1.21 -3.47 117.51 124.76 2aj6 h ILE 65 Ca -0.24 -2.45 0.06 0.00 -0.39 0.00 0.00 64.86 61.84 2aj6 h ILE 65 Cb 1.07 2.63 -0.11 0.00 -3.07 0.00 0.00 36.82 37.34 2aj6 h ILE 65 CO 1.04 0.87 0.33 0.00 -0.69 0.00 0.00 178.15 179.71 2aj6 s ALA 66 N -2.57 -1.61 0.08 1.87 0.00 -1.04 -0.54 121.76 117.94 2aj6 s ALA 66 Ca -0.18 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 2aj6 s ALA 66 Cb 0.06 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.97 2aj6 s ALA 66 CO 0.81 -0.82 0.68 -0.59 0.00 0.00 0.00 175.76 175.84 2aj6 s PHE 67 N -3.53 -0.52 -0.00 0.00 -0.12 -0.14 -0.70 117.98 112.97 2aj6 s PHE 67 Ca 0.05 0.46 0.02 0.00 -0.05 0.00 0.00 56.93 57.41 2aj6 s PHE 67 Cb -0.02 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.89 2aj6 s PHE 67 CO -0.07 -0.74 -0.08 -1.50 -0.05 0.00 0.00 175.22 172.79 2aj6 s ILE 68 N -3.11 0.61 -0.13 -4.49 2.07 -0.12 -1.37 121.20 114.65 2aj6 s ILE 68 Ca -0.00 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.86 2aj6 s ILE 68 Cb -0.01 -0.52 0.03 0.00 0.13 0.00 0.00 42.46 42.09 2aj6 s ILE 68 CO -0.08 0.14 -0.09 0.86 -1.91 0.00 0.00 174.94 173.87 2aj6 s TRP 69 N -0.25 1.71 0.10 3.50 -0.00 -0.00 -1.16 118.94 122.84 2aj6 s TRP 69 Ca 0.02 -0.95 0.09 0.00 -0.00 0.00 0.00 56.10 55.27 2aj6 s TRP 69 Cb -0.03 -1.34 -0.04 0.00 -0.00 0.00 0.00 33.47 32.06 2aj6 s TRP 69 CO -0.00 -0.58 -0.21 0.20 -0.00 0.00 0.00 176.95 176.36 2aj6 s GLY 70 N 1.63 1.61 -0.04 5.86 0.00 0.13 0.43 107.32 116.94 2aj6 s GLY 70 Ca 0.04 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.43 2aj6 s GLY 70 CO -0.09 -1.30 -0.07 -1.58 0.00 0.00 0.00 173.10 170.07 2aj6 s HIS 71 N -1.05 0.91 -0.19 1.90 2.46 -0.26 -1.24 115.29 117.82 2aj6 s HIS 71 Ca 0.16 -0.27 -0.16 0.00 0.47 0.00 0.00 55.06 55.26 2aj6 s HIS 71 Cb -0.10 -0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 31.59 2aj6 s HIS 71 CO 0.07 -0.17 0.40 0.12 -2.47 0.00 0.00 174.74 172.70 2aj6 s PHE 72 N 0.62 3.40 -0.29 3.88 5.36 0.11 -0.10 117.98 130.96 2aj6 s PHE 72 Ca -0.10 0.66 -0.14 0.00 -0.96 0.00 0.00 56.93 56.39 2aj6 s PHE 72 Cb -0.13 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 40.00 2aj6 s PHE 72 CO 0.01 0.03 0.34 0.45 -1.46 0.00 0.00 175.22 174.59 2aj6 s SER 73 N 0.94 6.20 0.29 6.13 0.15 -1.26 -4.87 113.70 121.27 2aj6 s SER 73 Ca 0.20 0.13 0.04 0.00 0.70 0.00 0.00 55.95 57.01 2aj6 s SER 73 Cb -0.15 -2.19 0.45 0.00 -1.71 0.00 0.00 66.02 62.42 2aj6 s SER 73 CO 0.08 -0.20 1.73 0.78 1.20 0.00 0.00 173.24 176.84 2aj6 h ASN 74 N 8.27 0.41 -0.30 5.45 4.21 -1.97 0.30 115.58 131.94 2aj6 h ASN 74 Ca -0.32 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.02 2aj6 h ASN 74 Cb 1.16 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2aj6 h ASN 74 CO 0.64 0.68 0.08 -0.33 -1.29 0.00 0.00 177.43 177.21 2aj6 h GLU 75 N 0.36 0.48 0.00 0.81 5.08 -2.05 -3.15 114.58 116.12 2aj6 h GLU 75 Ca 0.05 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2aj6 h GLU 75 Cb 0.67 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2aj6 h GLU 75 CO 0.05 0.55 -0.51 1.63 -1.00 0.00 0.00 179.01 179.73 2aj6 n LYS 76 N -4.67 0.19 -3.50 2.33 5.02 -1.17 -5.26 118.16 111.11 2aj6 n LYS 76 Ca -0.02 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 2aj6 n LYS 76 Cb 0.18 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 2aj6 n LYS 76 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2aj6 n SER 77 N -1.91 -5.97 -4.30 4.39 7.64 0.10 -4.93 113.62 108.65 2aj6 n SER 77 Ca 0.04 -0.57 -0.32 0.00 1.01 0.00 0.00 58.87 59.03 2aj6 n SER 77 Cb 0.40 -3.00 -0.16 0.00 -1.01 0.00 0.00 64.21 60.45 2aj6 n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2aj6 s VAL 79 N -2.89 2.35 -0.13 0.44 1.01 -0.56 -2.18 120.40 118.45 2aj6 s VAL 79 Ca 0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2aj6 s VAL 79 Cb -0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2aj6 s VAL 79 CO 0.84 0.56 0.08 0.20 0.00 0.00 0.00 175.10 176.79 2aj6 s ASN 80 N -0.08 5.87 -0.42 3.32 0.01 0.85 -2.14 114.94 122.35 2aj6 s ASN 80 Ca -0.05 0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 52.12 2aj6 s ASN 80 Cb -0.14 -1.87 0.02 0.00 0.41 0.00 0.00 41.25 39.67 2aj6 s ASN 80 CO 0.04 0.34 0.94 -0.63 -1.51 0.00 0.00 177.10 176.28 2aj6 s ILE 81 N -0.61 4.51 0.16 0.60 1.01 -1.26 -1.10 121.20 124.51 2aj6 s ILE 81 Ca 0.11 1.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.72 2aj6 s ILE 81 Cb -0.12 -4.40 -0.09 0.00 0.01 0.00 0.00 42.46 37.87 2aj6 s ILE 81 CO 0.02 -0.70 1.44 -0.33 0.00 0.00 0.00 174.94 175.37 2aj6 h GLU 82 N 8.79 0.63 -1.69 2.79 4.39 -0.38 -3.47 114.58 125.64 2aj6 h GLU 82 Ca -0.23 -0.44 0.06 0.00 0.34 0.00 0.00 59.36 59.09 2aj6 h GLU 82 Cb 1.08 0.07 -0.25 0.00 -0.10 0.00 0.00 28.75 29.54 2aj6 h GLU 82 CO 1.01 1.05 0.31 -1.17 -1.16 0.00 0.00 179.01 179.06 2aj6 s LEU 83 N -8.34 -0.60 -0.08 1.33 2.96 -1.17 -5.01 118.68 107.77 2aj6 s LEU 83 Ca -0.08 1.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 2aj6 s LEU 83 Cb 0.10 1.98 0.02 0.00 0.50 0.00 0.00 46.19 48.79 2aj6 s LEU 83 CO 0.86 -0.17 -0.09 -0.22 -1.32 0.00 0.00 176.35 175.42 2aj6 s LEU 84 N 0.96 1.35 -0.05 -0.68 2.96 -1.26 -0.82 118.68 121.14 2aj6 s LEU 84 Ca -0.05 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2aj6 s LEU 84 Cb -0.04 -0.77 0.02 0.00 0.50 0.00 0.00 46.19 45.90 2aj6 s LEU 84 CO -0.12 -0.06 0.11 -0.47 -1.32 0.00 0.00 176.35 174.50 2aj6 s TYR 85 N 1.22 -0.12 -0.07 5.38 5.04 -0.47 -5.02 117.35 123.31 2aj6 s TYR 85 Ca -0.05 0.34 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 2aj6 s TYR 85 Cb -0.14 -0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.13 2aj6 s TYR 85 CO -0.02 -0.10 -0.21 0.08 -1.34 0.00 0.00 175.55 173.96 2aj6 s VAL 86 N 0.58 1.76 0.09 3.14 1.01 -1.26 -0.97 120.40 124.75 2aj6 s VAL 86 Ca -0.04 -0.87 -0.35 0.00 0.00 0.00 0.00 61.98 60.71 2aj6 s VAL 86 Cb -0.06 -1.52 -0.15 0.00 0.00 0.00 0.00 36.38 34.66 2aj6 s VAL 86 CO -0.02 0.49 1.55 -0.62 0.00 0.00 0.00 175.10 176.50 2aj6 n GLU 87 N 3.34 1.82 -0.30 2.72 -0.58 0.30 -4.83 120.64 123.10 2aj6 n GLU 87 Ca -0.19 0.66 0.12 0.00 -0.42 0.00 0.00 57.16 57.33 2aj6 n GLU 87 Cb 0.52 -2.39 0.27 0.00 -0.57 0.00 0.00 31.44 29.27 2aj6 n GLU 87 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2aj6 h PRO 88 N 5.98 0.10 -0.28 3.49 0.11 -1.99 0.07 132.00 139.49 2aj6 h PRO 88 Ca -0.46 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 2aj6 h PRO 88 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2aj6 h PRO 88 CO 0.87 0.07 0.27 0.37 -0.21 0.00 0.00 178.00 179.36 2aj6 h GLN 89 N 0.11 0.00 -0.23 1.05 4.15 -1.98 -2.68 115.11 115.53 2aj6 h GLN 89 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 2aj6 h GLN 89 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2aj6 h GLN 89 CO -0.76 0.00 0.00 1.19 -1.93 0.00 0.00 178.83 177.33 2aj6 n PHE 90 N -3.97 0.63 -1.42 3.99 3.72 0.00 -5.00 117.46 115.41 2aj6 n PHE 90 Ca 0.04 -0.76 -0.31 0.00 -0.05 0.00 0.00 57.45 56.36 2aj6 n PHE 90 Cb 0.42 -0.20 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 2aj6 n PHE 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2aj6 s ARG 91 N -2.20 2.49 -1.67 -1.08 0.52 -1.01 -3.95 118.95 112.05 2aj6 s ARG 91 Ca 0.33 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 56.71 2aj6 s ARG 91 Cb 0.25 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2aj6 s ARG 91 CO 0.09 -1.46 0.00 1.63 0.02 0.00 0.00 175.30 175.58 2aj6 n LYS 92 N -3.23 -1.11 0.00 3.54 5.02 -1.26 -4.87 118.16 116.24 2aj6 n LYS 92 Ca 0.09 1.05 0.11 0.00 -2.02 0.00 0.00 58.31 57.54 2aj6 n LYS 92 Cb 0.53 -5.23 0.05 0.00 -0.02 0.00 0.00 35.03 30.36 2aj6 n LYS 92 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2aj6 n LEU 93 N -1.79 2.51 0.00 -0.35 4.77 -1.25 -4.97 117.00 115.91 2aj6 n LEU 93 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2aj6 n LEU 93 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2aj6 n LEU 93 CO 0.24 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2aj6 n GLY 94 N 1.33 0.76 0.18 -0.72 0.00 -1.26 -4.99 105.19 100.49 2aj6 n GLY 94 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2aj6 n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2aj6 h ILE 95 N 0.00 1.31 -0.73 -0.61 2.04 -1.93 -1.49 117.51 116.09 2aj6 h ILE 95 Ca 0.00 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.54 2aj6 h ILE 95 Cb 0.00 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 2aj6 h ILE 95 CO 0.00 0.41 0.48 0.00 0.00 0.00 0.00 178.15 179.04 2aj6 h ALA 96 N 0.69 0.94 -0.31 1.87 0.00 -1.94 0.17 119.26 120.69 2aj6 h ALA 96 Ca 0.04 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2aj6 h ALA 96 Cb 0.73 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2aj6 h ALA 96 CO 0.05 0.32 0.18 1.15 0.00 0.00 0.00 179.25 180.95 2aj6 h THR 97 N 0.97 1.02 -0.74 0.00 2.02 -1.96 0.36 112.91 114.58 2aj6 h THR 97 Ca 0.28 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.37 2aj6 h THR 97 Cb -0.08 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 2aj6 h THR 97 CO -0.07 0.07 0.47 -0.61 0.37 0.00 0.00 175.52 175.74 2aj6 h GLN 98 N 0.36 0.88 -0.45 6.66 4.15 -0.91 -1.25 115.11 124.55 2aj6 h GLN 98 Ca 0.12 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 2aj6 h GLN 98 Cb 0.01 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 2aj6 h GLN 98 CO -0.07 0.58 0.09 -0.07 -1.93 0.00 0.00 178.83 177.43 2aj6 h LEU 99 N 0.90 0.70 -0.76 -2.39 3.38 -0.40 -1.39 115.31 115.35 2aj6 h LEU 99 Ca 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2aj6 h LEU 99 Cb 0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2aj6 h LEU 99 CO -0.12 0.77 0.40 0.11 0.09 0.00 0.00 178.44 179.70 2aj6 h LYS 100 N 0.60 1.07 -0.31 1.13 1.57 -0.68 -0.36 116.57 119.59 2aj6 h LYS 100 Ca 0.14 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2aj6 h LYS 100 Cb 0.36 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2aj6 h LYS 100 CO 0.01 0.81 0.14 0.82 -0.57 0.00 0.00 179.45 180.66 2aj6 h ILE 101 N 1.06 1.16 -0.53 1.86 2.04 -1.03 0.08 117.51 122.14 2aj6 h ILE 101 Ca 0.27 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2aj6 h ILE 101 Cb 0.06 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2aj6 h ILE 101 CO -0.04 0.16 0.35 0.00 0.00 0.00 0.00 178.15 178.62 2aj6 h ALA 102 N 1.00 0.68 -0.48 1.87 0.00 -0.96 -1.56 119.26 119.81 2aj6 h ALA 102 Ca 0.10 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2aj6 h ALA 102 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2aj6 h ALA 102 CO -0.01 0.10 -0.02 1.25 0.00 0.00 0.00 179.25 180.57 2aj6 h LEU 103 N 0.71 0.78 -0.64 0.00 5.85 -0.66 -1.60 115.31 119.74 2aj6 h LEU 103 Ca 0.20 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2aj6 h LEU 103 Cb -0.07 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2aj6 h LEU 103 CO -0.05 0.86 0.09 -0.08 -0.34 0.00 0.00 178.44 178.91 2aj6 h GLU 104 N 0.75 1.07 -0.95 1.25 4.57 -0.73 0.22 114.58 120.76 2aj6 h GLU 104 Ca 0.14 -0.29 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2aj6 h GLU 104 Cb 0.48 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 2aj6 h GLU 104 CO 0.02 1.00 0.62 0.87 -1.18 0.00 0.00 179.01 180.34 2aj6 h LYS 105 N 0.98 1.25 -0.42 1.92 1.57 -0.80 -1.66 116.57 119.41 2aj6 h LYS 105 Ca 0.19 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2aj6 h LYS 105 Cb 0.45 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2aj6 h LYS 105 CO 0.02 0.83 0.20 2.35 -0.57 0.00 0.00 179.45 182.28 2aj6 h TRP 106 N 1.29 0.61 -0.95 -1.35 7.01 -0.51 -2.75 115.95 119.30 2aj6 h TRP 106 Ca 0.35 -0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.43 2aj6 h TRP 106 Cb -0.14 -0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 26.65 2aj6 h TRP 106 CO -0.00 0.50 0.61 0.00 -2.79 0.00 0.00 178.44 176.76 2aj6 h ALA 107 N 1.05 1.60 -0.06 2.65 0.00 -0.07 -0.40 119.26 124.03 2aj6 h ALA 107 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2aj6 h ALA 107 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2aj6 h ALA 107 CO -0.02 0.18 -0.25 0.87 0.00 0.00 0.00 179.25 180.03 2aj6 h LYS 108 N 0.92 0.10 -1.82 0.00 1.57 -1.03 -2.04 116.57 114.28 2aj6 h LYS 108 Ca 0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2aj6 h LYS 108 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2aj6 h LYS 108 CO -0.22 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 179.25 2aj6 n THR 109 N -4.21 1.00 -2.66 -0.16 -2.24 -0.16 -4.49 114.28 101.36 2aj6 n THR 109 Ca -0.02 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 2aj6 n THR 109 Cb 0.33 -1.14 0.12 0.00 -2.10 0.00 0.00 70.33 67.53 2aj6 n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2aj6 n ASN 111 N 1.40 -1.39 -4.84 3.42 4.13 -1.10 -5.13 115.26 111.75 2aj6 n ASN 111 Ca 0.00 -2.14 -0.36 0.00 1.68 0.00 0.00 54.58 53.76 2aj6 n ASN 111 Cb 0.29 0.67 -0.06 0.00 -1.54 0.00 0.00 39.78 39.15 2aj6 n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2aj6 s ALA 112 N 0.13 3.63 0.28 5.41 0.00 -0.78 -4.99 121.76 125.44 2aj6 s ALA 112 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 2aj6 s ALA 112 Cb 0.41 -2.46 0.40 0.00 0.00 0.00 0.00 23.12 21.47 2aj6 s ALA 112 CO -0.12 0.48 1.90 -0.22 0.00 0.00 0.00 175.76 177.80 2aj6 h LYS 113 N 3.94 1.01 -2.15 0.00 3.64 -1.76 -3.41 116.57 117.84 2aj6 h LYS 113 Ca -0.49 -0.12 0.26 0.00 -1.27 0.00 0.00 60.65 59.02 2aj6 h LYS 113 Cb 1.20 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 2aj6 h LYS 113 CO 0.65 0.76 0.73 -0.98 -2.27 0.00 0.00 179.45 178.34 2aj6 s ARG 114 N -5.63 0.80 0.49 1.90 1.70 -1.26 -5.07 118.95 111.88 2aj6 s ARG 114 Ca -0.11 -0.50 0.07 0.00 -0.47 0.00 0.00 55.73 54.73 2aj6 s ARG 114 Cb 0.17 0.24 0.04 0.00 -0.57 0.00 0.00 34.95 34.82 2aj6 s ARG 114 CO 0.80 -0.37 0.68 0.96 -1.08 0.00 0.00 175.30 176.28 2aj6 s ILE 115 N -2.30 2.69 0.40 4.99 -4.36 -1.26 -1.49 121.20 119.88 2aj6 s ILE 115 Ca 0.22 -0.94 -0.24 0.00 -0.26 0.00 0.00 60.65 59.43 2aj6 s ILE 115 Cb -0.00 -2.75 -0.11 0.00 1.25 0.00 0.00 42.46 40.84 2aj6 s ILE 115 CO 0.01 0.00 0.89 -1.20 0.24 0.00 0.00 174.94 174.88 2aj6 n SER 116 N -2.06 0.69 -4.80 4.36 7.64 -0.91 -4.91 113.62 113.62 2aj6 n SER 116 Ca 0.10 1.02 -0.29 0.00 1.01 0.00 0.00 58.87 60.72 2aj6 n SER 116 Cb 0.60 -1.28 0.13 0.00 -1.01 0.00 0.00 64.21 62.65 2aj6 n SER 116 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2aj6 s ASN 117 N -0.78 3.70 0.00 6.43 0.01 -1.26 -4.91 114.94 118.13 2aj6 s ASN 117 Ca 0.63 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 2aj6 s ASN 117 Cb -0.59 -1.46 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2aj6 s ASN 117 CO 0.57 -2.43 0.00 1.07 -1.51 0.00 0.00 177.10 174.81