#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ak7 s VAL 2 N 0.00 0.38 0.17 3.17 -7.23 -1.26 -5.17 120.40 110.47 2ak7 s VAL 2 Ca 0.00 -1.85 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 2ak7 s VAL 2 Cb 0.00 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2ak7 s VAL 2 CO 0.00 -0.96 0.40 0.00 -0.31 0.00 0.00 175.10 174.23 2ak7 s GLN 3 N -3.89 1.23 -0.23 4.82 -2.07 -1.26 -5.17 119.66 113.10 2ak7 s GLN 3 Ca 0.09 -0.98 -0.16 0.00 -1.82 0.00 0.00 55.36 52.48 2ak7 s GLN 3 Cb 0.07 0.45 0.06 0.00 -1.09 0.00 0.00 33.01 32.50 2ak7 s GLN 3 CO -0.08 -0.49 0.58 -1.14 -1.32 0.00 0.00 175.29 172.84 2ak7 s GLN 4 N -3.91 0.62 0.01 9.60 0.74 -1.26 -5.13 119.66 120.34 2ak7 s GLN 4 Ca 0.12 0.94 -0.30 0.00 0.05 0.00 0.00 55.36 56.17 2ak7 s GLN 4 Cb 0.01 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 2ak7 s GLN 4 CO -0.03 -0.12 0.97 0.15 -0.55 0.00 0.00 175.29 175.71 2ak7 s LYS 5 N 1.02 4.57 0.10 1.67 1.02 -1.26 -5.03 119.74 121.84 2ak7 s LYS 5 Ca -0.06 1.41 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2ak7 s LYS 5 Cb -0.05 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2ak7 s LYS 5 CO -0.09 -0.01 -0.10 0.14 -0.92 0.00 0.00 175.35 174.37 2ak7 s VAL 6 N 0.88 0.92 -0.23 3.17 -7.23 -1.26 -5.13 120.40 111.52 2ak7 s VAL 6 Ca 0.51 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.84 2ak7 s VAL 6 Cb -0.21 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2ak7 s VAL 6 CO 0.28 -0.62 0.23 -0.70 -0.31 0.00 0.00 175.10 173.98 2ak7 s GLU 7 N -3.03 4.09 -0.35 4.82 2.12 -1.26 -5.03 118.70 120.06 2ak7 s GLU 7 Ca 0.07 -0.14 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 2ak7 s GLU 7 Cb -0.01 -3.55 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 2ak7 s GLU 7 CO -0.01 0.01 1.57 0.08 -0.54 0.00 0.00 175.26 176.37 2ak7 s VAL 8 N 1.21 3.73 -1.62 3.70 1.01 -1.26 -4.80 120.40 122.38 2ak7 s VAL 8 Ca 0.11 0.77 0.16 0.00 0.00 0.00 0.00 61.98 63.01 2ak7 s VAL 8 Cb -0.14 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2ak7 s VAL 8 CO 0.06 -0.55 0.89 0.54 0.00 0.00 0.00 175.10 176.05 2ak7 n ARG 9 N 8.09 1.60 -1.50 2.72 1.74 -1.26 -4.98 116.66 123.07 2ak7 n ARG 9 Ca 0.19 -0.97 -0.32 0.00 -0.77 0.00 0.00 57.85 55.98 2ak7 n ARG 9 Cb 0.47 -1.28 0.07 0.00 -1.02 0.00 0.00 32.46 30.70 2ak7 n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ak7 s LEU 10 N -1.87 3.20 0.32 0.55 1.43 -1.26 -4.98 118.68 116.06 2ak7 s LEU 10 Ca 0.15 1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 2ak7 s LEU 10 Cb 0.13 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 2ak7 s LEU 10 CO 0.35 -1.83 1.19 -0.54 0.23 0.00 0.00 176.35 175.76 2ak7 s LYS 11 N -4.53 4.46 0.28 1.70 1.02 -1.26 -5.05 119.74 116.36 2ak7 s LYS 11 Ca 0.64 1.98 0.09 0.00 0.02 0.00 0.00 55.97 58.69 2ak7 s LYS 11 Cb -0.19 -3.08 -0.06 0.00 -0.52 0.00 0.00 37.83 33.99 2ak7 s LYS 11 CO 0.49 -0.01 -0.11 0.95 -0.92 0.00 0.00 175.35 175.75 2ak7 s THR 12 N -1.19 1.97 0.36 2.17 -4.23 -1.26 -5.06 115.64 108.40 2ak7 s THR 12 Ca 0.48 -2.22 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 2ak7 s THR 12 Cb -0.35 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.15 2ak7 s THR 12 CO 0.46 -0.36 0.74 -0.83 -0.54 0.00 0.00 174.62 174.09 2ak7 s GLY 13 N -3.47 0.37 0.30 3.99 0.00 -1.16 -0.94 107.32 106.42 2ak7 s GLY 13 Ca 0.29 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 2ak7 s GLY 13 CO 0.13 -0.33 1.24 1.04 0.00 0.00 0.00 173.10 175.18 2ak7 n LEU 14 N -0.52 2.98 -4.78 0.66 4.77 -1.26 -4.89 117.00 113.96 2ak7 n LEU 14 Ca -0.07 1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.79 2ak7 n LEU 14 Cb 0.60 -1.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.34 2ak7 n LEU 14 CO 0.24 -0.73 0.71 -1.10 -1.33 0.00 0.00 177.39 175.18 2ak7 s GLN 15 N -1.48 2.58 0.17 3.23 -0.21 -1.26 -4.71 119.66 117.98 2ak7 s GLN 15 Ca 0.59 1.15 -0.20 0.00 0.02 0.00 0.00 55.36 56.93 2ak7 s GLN 15 Cb -0.62 -1.94 0.09 0.00 1.00 0.00 0.00 33.01 31.54 2ak7 s GLN 15 CO 0.59 -1.39 1.62 0.00 -2.12 0.00 0.00 175.29 173.99 2ak7 h ALA 16 N -0.74 0.03 0.05 6.09 0.00 -1.98 -2.12 119.26 120.60 2ak7 h ALA 16 Ca -0.44 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2ak7 h ALA 16 Cb 1.23 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2ak7 h ALA 16 CO 0.53 -0.60 -0.03 -0.09 0.00 0.00 0.00 179.25 179.07 2ak7 h ARG 17 N -0.16 -0.07 -0.51 0.00 9.65 -1.99 0.03 114.38 121.33 2ak7 h ARG 17 Ca 0.19 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.10 2ak7 h ARG 17 Cb 0.46 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 2ak7 h ARG 17 CO -0.50 0.18 0.34 -1.35 2.80 0.00 0.00 179.97 181.45 2ak7 h PRO 18 N -0.32 0.61 -0.32 0.20 0.11 -1.94 0.27 132.00 130.61 2ak7 h PRO 18 Ca -0.01 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 2ak7 h PRO 18 Cb 0.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2ak7 h PRO 18 CO 0.01 0.40 -0.21 0.00 -0.21 0.00 0.00 178.00 177.99 2ak7 h ALA 19 N 1.69 0.46 -0.73 -0.75 0.00 -1.23 -0.79 119.26 117.93 2ak7 h ALA 19 Ca 0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2ak7 h ALA 19 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2ak7 h ALA 19 CO -0.05 0.42 0.21 0.00 0.00 0.00 0.00 179.25 179.84 2ak7 h ALA 20 N 0.75 1.00 -0.03 0.00 0.00 -0.02 -1.44 119.26 119.53 2ak7 h ALA 20 Ca 0.07 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2ak7 h ALA 20 Cb 0.77 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ak7 h ALA 20 CO 0.06 0.66 -0.62 -0.07 0.00 0.00 0.00 179.25 179.28 2ak7 h LEU 21 N 1.09 0.11 -0.26 0.00 3.38 -0.90 -1.18 115.31 117.54 2ak7 h LEU 21 Ca 0.23 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2ak7 h LEU 21 Cb 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ak7 h LEU 21 CO -0.01 0.70 0.09 0.15 0.09 0.00 0.00 178.44 179.47 2ak7 h PHE 22 N 0.07 0.41 -0.56 1.13 3.04 -0.78 -1.66 116.94 118.60 2ak7 h PHE 22 Ca -0.01 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 2ak7 h PHE 22 Cb 1.11 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 2ak7 h PHE 22 CO 0.01 0.44 0.06 0.28 -2.02 0.00 0.00 178.31 177.08 2ak7 h VAL 23 N 0.27 1.25 -0.90 1.41 2.07 -1.08 0.74 116.25 120.01 2ak7 h VAL 23 Ca 0.09 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2ak7 h VAL 23 Cb 0.21 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2ak7 h VAL 23 CO -0.00 0.36 0.53 1.56 0.02 0.00 0.00 177.57 180.04 2ak7 h GLN 24 N 0.85 1.22 -0.33 1.57 4.20 -0.99 0.20 115.11 121.84 2ak7 h GLN 24 Ca 0.17 -0.11 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2ak7 h GLN 24 Cb 0.42 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2ak7 h GLN 24 CO 0.01 0.86 -0.29 1.49 -0.67 0.00 0.00 178.83 180.24 2ak7 h GLU 25 N 1.24 0.77 -0.32 1.46 4.81 -0.70 -2.99 114.58 118.86 2ak7 h GLU 25 Ca 0.32 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2ak7 h GLU 25 Cb -0.04 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2ak7 h GLU 25 CO -0.06 1.02 -0.06 0.00 -0.73 0.00 0.00 179.01 179.18 2ak7 h ALA 26 N 0.74 1.30 0.00 2.92 0.00 -0.32 -2.44 119.26 121.47 2ak7 h ALA 26 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ak7 h ALA 26 Cb 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ak7 h ALA 26 CO 0.07 0.47 0.00 -0.91 0.00 0.00 0.00 179.25 178.88 2ak7 h ASN 27 N 0.49 0.00 0.54 0.00 -0.26 -0.46 -0.20 115.58 115.69 2ak7 h ASN 27 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2ak7 h ASN 27 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2ak7 h ASN 27 CO 0.02 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 176.93 2ak7 n ARG 28 N -3.04 0.20 -4.32 0.81 1.74 -0.92 -4.76 116.66 106.38 2ak7 n ARG 28 Ca -0.03 0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 2ak7 n ARG 28 Cb 0.08 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 2ak7 n ARG 28 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ak7 s PHE 29 N -2.73 2.52 -0.27 -1.55 0.08 -0.09 -5.02 117.98 110.92 2ak7 s PHE 29 Ca 0.17 -0.27 0.19 0.00 0.12 0.00 0.00 56.93 57.14 2ak7 s PHE 29 Cb 0.15 -1.31 0.15 0.00 -0.57 0.00 0.00 43.02 41.44 2ak7 s PHE 29 CO 0.36 0.42 1.43 1.79 -0.10 0.00 0.00 175.22 179.12 2ak7 h THR 30 N 3.37 0.44 -4.06 0.64 1.35 -1.86 -3.47 112.91 109.32 2ak7 h THR 30 Ca -0.49 -1.64 -0.55 0.00 -0.55 0.00 0.00 66.41 63.19 2ak7 h THR 30 Cb 1.18 2.16 0.13 0.00 -1.73 0.00 0.00 68.15 69.89 2ak7 h THR 30 CO 0.47 0.25 0.57 -0.44 -0.25 0.00 0.00 175.52 176.12 2ak7 s SER 31 N -6.23 5.19 0.34 5.36 0.01 -1.26 -4.92 113.70 112.19 2ak7 s SER 31 Ca 0.04 2.66 -0.22 0.00 1.31 0.00 0.00 55.95 59.75 2ak7 s SER 31 Cb 0.07 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 2ak7 s SER 31 CO 0.72 -1.62 0.88 -1.81 0.41 0.00 0.00 173.24 171.82 2ak7 s ASP 32 N -1.14 7.07 0.00 2.44 1.01 0.10 -4.86 116.67 121.30 2ak7 s ASP 32 Ca 0.74 1.63 0.03 0.00 0.71 0.00 0.00 52.55 55.66 2ak7 s ASP 32 Cb -0.38 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.03 2ak7 s ASP 32 CO 0.44 -0.17 -0.10 -0.69 0.21 0.00 0.00 175.17 174.86 2ak7 s VAL 33 N -1.84 0.80 0.09 -1.27 1.01 -1.26 -1.29 120.40 116.63 2ak7 s VAL 33 Ca 0.53 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ak7 s VAL 33 Cb -0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2ak7 s VAL 33 CO 0.19 0.15 -0.04 -0.36 0.00 0.00 0.00 175.10 175.04 2ak7 s PHE 34 N -0.38 0.77 -0.03 5.22 0.40 0.45 -0.34 117.98 124.07 2ak7 s PHE 34 Ca 0.03 -0.99 0.05 0.00 -0.60 0.00 0.00 56.93 55.41 2ak7 s PHE 34 Cb -0.05 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 2ak7 s PHE 34 CO -0.00 -0.26 -0.19 -0.51 0.70 0.00 0.00 175.22 174.97 2ak7 s LEU 35 N -3.01 1.98 0.01 -0.37 1.43 -0.71 -0.54 118.68 117.46 2ak7 s LEU 35 Ca 0.11 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2ak7 s LEU 35 Cb 0.06 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 2ak7 s LEU 35 CO -0.06 0.20 -0.08 -0.70 0.23 0.00 0.00 176.35 175.94 2ak7 s GLU 36 N -0.18 0.60 -0.21 1.70 2.12 0.24 -0.91 118.70 122.06 2ak7 s GLU 36 Ca 0.01 -0.37 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 2ak7 s GLU 36 Cb -0.10 -0.55 0.07 0.00 0.26 0.00 0.00 34.13 33.81 2ak7 s GLU 36 CO 0.01 0.15 0.50 0.21 -0.54 0.00 0.00 175.26 175.59 2ak7 s LYS 37 N -0.46 0.48 -1.30 4.30 2.36 -0.27 -0.43 119.74 124.42 2ak7 s LYS 37 Ca 0.01 0.98 -0.17 0.00 -2.55 0.00 0.00 55.97 54.24 2ak7 s LYS 37 Cb -0.04 0.12 0.01 0.00 -1.05 0.00 0.00 37.83 36.87 2ak7 s LYS 37 CO -0.00 -0.17 0.52 -0.25 1.55 0.00 0.00 175.35 177.00 2ak7 n ASP 38 N 4.50 -2.58 0.00 1.43 8.00 -1.26 -1.54 116.55 125.10 2ak7 n ASP 38 Ca -0.20 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.14 2ak7 n ASP 38 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.24 2ak7 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ak7 n GLY 39 N -2.06 1.03 3.44 0.44 0.00 -1.26 -5.01 105.19 101.77 2ak7 n GLY 39 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2ak7 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ak7 s LYS 40 N -0.13 3.12 -0.05 1.61 2.47 -0.59 -5.11 119.74 121.06 2ak7 s LYS 40 Ca 0.00 -0.65 0.05 0.00 -1.56 0.00 0.00 55.97 53.81 2ak7 s LYS 40 Cb 0.00 -2.59 -0.01 0.00 -1.46 0.00 0.00 37.83 33.77 2ak7 s LYS 40 CO 0.00 0.38 -0.20 0.21 0.16 0.00 0.00 175.35 175.90 2ak7 s LYS 41 N -0.06 2.03 0.16 4.03 2.20 -1.26 -1.11 119.74 125.72 2ak7 s LYS 41 Ca -0.02 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 2ak7 s LYS 41 Cb -0.14 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 2ak7 s LYS 41 CO 0.04 0.30 -0.16 0.14 -0.36 0.00 0.00 175.35 175.31 2ak7 s VAL 42 N -0.07 1.66 -0.38 4.02 -7.23 -0.09 -4.98 120.40 113.34 2ak7 s VAL 42 Ca -0.03 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 2ak7 s VAL 42 Cb -0.12 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.02 2ak7 s VAL 42 CO 0.02 -0.42 1.30 0.21 -0.31 0.00 0.00 175.10 175.90 2ak7 s ASN 43 N -2.77 6.56 0.00 4.85 2.47 -1.26 -1.74 114.94 123.04 2ak7 s ASN 43 Ca 0.16 0.92 0.21 0.00 0.42 0.00 0.00 52.86 54.56 2ak7 s ASN 43 Cb -0.04 -2.54 1.18 0.00 -1.45 0.00 0.00 41.25 38.40 2ak7 s ASN 43 CO 0.06 -1.23 1.64 0.00 -3.72 0.00 0.00 177.10 173.84 2ak7 n ALA 44 N 8.05 2.21 -2.79 1.71 0.00 0.53 -3.74 120.51 126.48 2ak7 n ALA 44 Ca 0.15 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2ak7 n ALA 44 Cb 0.48 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.60 2ak7 n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ak7 n LYS 45 N -1.09 5.04 0.02 0.00 5.02 -1.25 -4.55 118.16 121.35 2ak7 n LYS 45 Ca 0.14 -4.63 0.00 0.00 -2.02 0.00 0.00 58.31 51.80 2ak7 n LYS 45 Cb 0.10 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2ak7 n LYS 45 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ak7 n ILE 47 N 0.50 0.31 -0.32 -0.18 5.41 -1.26 -5.00 119.36 118.82 2ak7 n ILE 47 Ca 0.38 0.10 -0.03 0.00 1.00 0.00 0.00 62.75 64.21 2ak7 n ILE 47 Cb 0.29 -1.38 0.12 0.00 -0.71 0.00 0.00 39.64 37.96 2ak7 n ILE 47 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2ak7 h MET 48 N 0.00 1.21 -0.12 0.38 2.86 -1.98 0.02 114.93 117.30 2ak7 h MET 48 Ca 0.00 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2ak7 h MET 48 Cb 0.60 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 2ak7 h MET 48 CO 0.00 0.87 0.05 0.78 1.06 0.00 0.00 176.91 179.67 2ak7 h GLY 49 N 1.24 0.20 0.69 8.32 0.00 -1.98 -2.03 103.07 109.51 2ak7 h GLY 49 Ca 0.31 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.59 2ak7 h GLY 49 CO -0.06 0.10 0.32 -2.00 0.00 0.00 0.00 176.54 174.91 2ak7 h LEU 50 N 0.05 0.46 -1.22 3.11 5.85 -1.55 -1.52 115.31 120.49 2ak7 h LEU 50 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ak7 h LEU 50 Cb 0.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2ak7 h LEU 50 CO -0.00 0.31 0.00 0.24 -0.34 0.00 0.00 178.44 178.64 2ak7 h MET 51 N 0.60 0.00 0.00 1.25 2.86 -0.81 -3.05 114.93 115.78 2ak7 h MET 51 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2ak7 h MET 51 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ak7 h MET 51 CO -0.17 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.46 2ak7 h SER 52 N 0.00 0.00 -3.06 1.22 4.64 -0.52 -3.39 113.55 112.44 2ak7 h SER 52 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2ak7 h SER 52 Cb 0.37 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2ak7 h SER 52 CO 0.00 0.00 0.68 -0.22 -0.87 0.00 0.00 176.83 176.42 2ak7 s LEU 53 N -5.54 4.36 -0.46 5.97 2.96 -1.15 -4.92 118.68 119.90 2ak7 s LEU 53 Ca 0.07 2.16 -0.28 0.00 -0.22 0.00 0.00 54.13 55.86 2ak7 s LEU 53 Cb 0.08 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 2ak7 s LEU 53 CO 0.61 -0.60 1.82 0.00 -1.32 0.00 0.00 176.35 176.87 2ak7 s ALA 54 N 1.36 2.55 0.03 5.97 0.00 -1.26 -4.42 121.76 125.99 2ak7 s ALA 54 Ca 0.62 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2ak7 s ALA 54 Cb -0.33 -4.14 -0.02 0.00 0.00 0.00 0.00 23.12 18.63 2ak7 s ALA 54 CO 0.29 -3.20 -0.06 0.08 0.00 0.00 0.00 175.76 172.87 2ak7 s VAL 55 N 7.88 0.36 0.05 0.00 1.01 -0.11 -4.98 120.40 124.61 2ak7 s VAL 55 Ca 0.74 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2ak7 s VAL 55 Cb -0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2ak7 s VAL 55 CO 0.28 -0.35 -0.16 -0.44 0.00 0.00 0.00 175.10 174.42 2ak7 s SER 56 N -1.31 1.96 0.26 3.32 0.01 -1.26 -3.01 113.70 113.66 2ak7 s SER 56 Ca -0.10 -0.52 -0.31 0.00 1.31 0.00 0.00 55.95 56.33 2ak7 s SER 56 Cb -0.09 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 65.89 2ak7 s SER 56 CO -0.00 0.05 1.57 0.41 0.41 0.00 0.00 173.24 175.68 2ak7 n THR 57 N 1.72 0.77 0.00 1.44 -1.04 -1.26 -1.65 114.28 114.26 2ak7 n THR 57 Ca -0.18 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2ak7 n THR 57 Cb 0.54 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 2ak7 n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ak7 n GLY 58 N 2.53 1.02 3.91 3.41 0.00 -1.26 -5.07 105.19 109.73 2ak7 n GLY 58 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2ak7 n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ak7 s THR 59 N -2.26 3.97 -0.02 2.61 -1.32 -0.66 -5.07 115.64 112.89 2ak7 s THR 59 Ca 0.00 0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 2ak7 s THR 59 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 2ak7 s THR 59 CO 0.00 -0.61 0.32 -1.61 -2.21 0.00 0.00 174.62 170.51 2ak7 s GLU 60 N -5.00 3.73 0.10 7.08 0.41 -1.26 -4.97 118.70 118.79 2ak7 s GLU 60 Ca 0.53 0.17 -0.01 0.00 -0.41 0.00 0.00 54.97 55.26 2ak7 s GLU 60 Cb -0.11 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 2ak7 s GLU 60 CO 0.46 0.69 0.01 0.14 -0.49 0.00 0.00 175.26 176.07 2ak7 s VAL 61 N -1.14 0.23 -0.23 2.63 -7.23 -1.26 -4.94 120.40 108.46 2ak7 s VAL 61 Ca 0.23 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2ak7 s VAL 61 Cb -0.15 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2ak7 s VAL 61 CO 0.12 -0.72 0.00 -0.89 -0.31 0.00 0.00 175.10 173.30 2ak7 s THR 62 N -3.94 3.80 -0.03 5.32 2.01 0.43 -4.95 115.64 118.29 2ak7 s THR 62 Ca 0.16 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.63 2ak7 s THR 62 Cb 0.07 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2ak7 s THR 62 CO -0.04 0.39 0.50 -0.22 -0.69 0.00 0.00 174.62 174.57 2ak7 s LEU 63 N 1.45 4.41 -0.03 4.42 2.96 -1.26 -0.59 118.68 130.04 2ak7 s LEU 63 Ca 0.05 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 2ak7 s LEU 63 Cb -0.15 -2.76 -0.00 0.00 0.50 0.00 0.00 46.19 43.79 2ak7 s LEU 63 CO 0.00 0.16 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.44 2ak7 s ILE 64 N -0.32 1.00 -0.01 6.68 1.01 0.29 -4.99 121.20 124.85 2ak7 s ILE 64 Ca 0.27 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2ak7 s ILE 64 Cb -0.17 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2ak7 s ILE 64 CO 0.14 0.30 -0.04 0.00 0.00 0.00 0.00 174.94 175.34 2ak7 s ALA 65 N 0.05 0.38 -0.08 9.38 0.00 -1.26 -0.41 121.76 129.82 2ak7 s ALA 65 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.79 2ak7 s ALA 65 Cb -0.09 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.92 2ak7 s ALA 65 CO 0.01 0.06 0.17 1.14 0.00 0.00 0.00 175.76 177.14 2ak7 s GLN 66 N 0.17 0.08 0.00 0.00 -2.07 -0.41 -4.89 119.66 112.54 2ak7 s GLN 66 Ca -0.02 0.51 0.00 0.00 -1.82 0.00 0.00 55.36 54.04 2ak7 s GLN 66 Cb -0.05 -0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.67 2ak7 s GLN 66 CO -0.00 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 2ak7 n GLY 67 N 4.85 -1.52 0.28 2.60 0.00 -1.26 -0.72 105.19 109.42 2ak7 n GLY 67 Ca -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 2ak7 n GLY 67 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ak7 h GLU 68 N 1.73 0.81 -0.72 1.61 4.81 -1.99 -2.65 114.58 118.19 2ak7 h GLU 68 Ca 0.00 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 2ak7 h GLU 68 Cb 0.00 -0.18 -0.19 0.00 0.63 0.00 0.00 28.75 29.01 2ak7 h GLU 68 CO 0.00 0.54 0.32 -0.40 -0.73 0.00 0.00 179.01 178.74 2ak7 n ASP 69 N -4.69 3.76 -0.28 1.04 5.68 -1.26 -4.73 116.55 116.06 2ak7 n ASP 69 Ca 0.09 -3.50 0.05 0.00 -0.50 0.00 0.00 54.79 50.93 2ak7 n ASP 69 Cb 0.13 -0.74 0.19 0.00 -1.14 0.00 0.00 41.12 39.56 2ak7 n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2ak7 h GLU 70 N 1.53 0.62 -0.34 0.11 4.11 -1.81 -0.19 114.58 118.62 2ak7 h GLU 70 Ca 0.39 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 2ak7 h GLU 70 Cb 2.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 2ak7 h GLU 70 CO 0.77 0.41 0.18 0.37 0.07 0.00 0.00 179.01 180.81 2ak7 h GLN 71 N 0.64 0.47 -0.63 1.06 5.75 -1.85 0.54 115.11 121.09 2ak7 h GLN 71 Ca 0.42 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.78 2ak7 h GLN 71 Cb 0.53 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2ak7 h GLN 71 CO -0.32 0.40 0.04 0.93 -2.65 0.00 0.00 178.83 177.23 2ak7 h GLU 72 N 0.42 1.09 -0.23 1.69 3.07 -1.81 -2.53 114.58 116.30 2ak7 h GLU 72 Ca 0.12 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2ak7 h GLU 72 Cb 0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2ak7 h GLU 72 CO -0.02 1.04 0.09 0.00 -1.40 0.00 0.00 179.01 178.71 2ak7 h ALA 73 N 1.01 0.29 -0.49 3.43 0.00 -0.73 -2.23 119.26 120.54 2ak7 h ALA 73 Ca 0.18 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ak7 h ALA 73 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2ak7 h ALA 73 CO 0.02 -0.10 0.26 1.25 0.00 0.00 0.00 179.25 180.68 2ak7 h LEU 74 N 0.21 0.38 -0.57 0.00 5.85 -0.82 -0.39 115.31 119.97 2ak7 h LEU 74 Ca 0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ak7 h LEU 74 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2ak7 h LEU 74 CO -0.01 0.27 0.23 -0.33 -0.34 0.00 0.00 178.44 178.26 2ak7 h GLU 75 N 0.51 0.85 -0.28 1.25 5.08 -1.34 0.32 114.58 120.96 2ak7 h GLU 75 Ca 0.21 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2ak7 h GLU 75 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2ak7 h GLU 75 CO -0.13 0.73 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.25 2ak7 h LYS 76 N 0.78 0.59 -0.07 2.33 1.63 -1.16 -2.27 116.57 118.40 2ak7 h LYS 76 Ca 0.19 -0.26 -0.17 0.00 -0.85 0.00 0.00 60.65 59.57 2ak7 h LYS 76 Cb 0.20 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2ak7 h LYS 76 CO -0.02 0.83 -0.67 -0.07 -3.45 0.00 0.00 179.45 176.07 2ak7 h LEU 77 N 0.34 0.37 -0.59 5.20 3.38 -0.97 -1.94 115.31 121.10 2ak7 h LEU 77 Ca 0.06 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2ak7 h LEU 77 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2ak7 h LEU 77 CO 0.04 0.93 0.08 0.00 0.09 0.00 0.00 178.44 179.58 2ak7 h ALA 78 N 1.06 0.79 -0.65 1.53 0.00 -0.36 -0.35 119.26 121.27 2ak7 h ALA 78 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2ak7 h ALA 78 Cb 1.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2ak7 h ALA 78 CO 0.11 0.56 0.31 0.00 0.00 0.00 0.00 179.25 180.22 2ak7 h ALA 79 N 1.00 0.84 -0.14 0.00 0.00 -1.28 -1.84 119.26 117.85 2ak7 h ALA 79 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2ak7 h ALA 79 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ak7 h ALA 79 CO 0.02 0.41 0.06 -0.92 0.00 0.00 0.00 179.25 178.82 2ak7 h TYR 80 N 0.90 0.20 -0.47 0.00 3.20 -0.98 0.32 116.97 120.14 2ak7 h TYR 80 Ca 0.22 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2ak7 h TYR 80 Cb 0.13 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2ak7 h TYR 80 CO 0.00 0.27 0.14 0.28 -1.64 0.00 0.00 178.16 177.21 2ak7 h VAL 81 N 0.08 1.19 -0.48 1.81 2.07 -0.92 -2.35 116.25 117.64 2ak7 h VAL 81 Ca 0.05 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2ak7 h VAL 81 Cb 0.15 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2ak7 h VAL 81 CO -0.00 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.83 2ak7 n GLN 82 N -4.32 2.41 -3.88 1.57 6.02 -0.71 -4.93 117.38 113.55 2ak7 n GLN 82 Ca 0.03 -1.86 -0.25 0.00 -0.01 0.00 0.00 57.00 54.91 2ak7 n GLN 82 Cb 0.19 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.95 2ak7 n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ak7 n GLU 83 N 0.88 -3.42 -2.37 -1.09 1.02 -0.77 -4.90 120.64 109.98 2ak7 n GLU 83 Ca 0.17 0.45 -0.14 0.00 -0.02 0.00 0.00 57.16 57.62 2ak7 n GLU 83 Cb 0.50 -4.61 0.03 0.00 -0.02 0.00 0.00 31.44 27.34 2ak7 n GLU 83 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2ak7 n GLU 84 N -4.36 2.81 -2.11 3.49 1.02 0.10 -5.03 120.64 116.57 2ak7 n GLU 84 Ca -0.29 -3.89 -0.40 0.00 -0.02 0.00 0.00 57.16 52.56 2ak7 n GLU 84 Cb 0.68 -1.99 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 2ak7 n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ak7 s VAL 85 N -4.27 2.73 -2.73 2.62 1.01 -1.22 -4.79 120.40 113.74 2ak7 s VAL 85 Ca 0.41 0.67 0.26 0.00 0.00 0.00 0.00 61.98 63.32 2ak7 s VAL 85 Cb 0.37 -3.41 0.38 0.00 0.00 0.00 0.00 36.38 33.73 2ak7 s VAL 85 CO 0.00 0.12 1.52 0.18 0.00 0.00 0.00 175.10 176.93