#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 1.38 0.07 1.12 -7.23 -1.26 -5.16 120.40 109.32 2ak7 s VAL 2 Ca 0.00 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2ak7 s VAL 2 Cb 0.00 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2ak7 s VAL 2 CO 0.00 -0.15 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.48 2ak7 s GLN 3 N -1.80 0.67 -0.20 4.82 -0.21 -1.26 -5.16 119.66 116.52 2ak7 s GLN 3 Ca 0.02 -1.06 -0.12 0.00 0.02 0.00 0.00 55.36 54.21 2ak7 s GLN 3 Cb -0.10 -0.18 0.06 0.00 1.00 0.00 0.00 33.01 33.79 2ak7 s GLN 3 CO 0.03 -0.00 0.50 -1.14 -2.12 0.00 0.00 175.29 172.56 2ak7 s GLN 4 N -2.85 0.50 -0.22 2.91 0.74 -1.26 -5.12 119.66 114.36 2ak7 s GLN 4 Ca 0.02 0.91 -0.26 0.00 0.05 0.00 0.00 55.36 56.08 2ak7 s GLN 4 Cb -0.01 0.05 -0.00 0.00 1.10 0.00 0.00 33.01 34.14 2ak7 s GLN 4 CO -0.03 -0.15 0.88 0.21 -0.55 0.00 0.00 175.29 175.65 2ak7 s LYS 5 N 1.38 4.23 0.13 1.67 2.20 -1.26 -5.03 119.74 123.06 2ak7 s LYS 5 Ca -0.09 1.07 0.06 0.00 -0.36 0.00 0.00 55.97 56.65 2ak7 s LYS 5 Cb -0.07 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2ak7 s LYS 5 CO -0.14 -0.49 -0.14 0.14 -0.36 0.00 0.00 175.35 174.36 2ak7 s VAL 6 N 2.74 1.37 -0.15 4.02 -7.23 -1.26 -5.12 120.40 114.76 2ak7 s VAL 6 Ca 0.38 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 2ak7 s VAL 6 Cb -0.16 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2ak7 s VAL 6 CO 0.08 -0.43 0.52 -0.70 -0.31 0.00 0.00 175.10 174.27 2ak7 s GLU 7 N -2.74 4.28 -0.36 4.82 2.12 -1.26 -5.02 118.70 120.54 2ak7 s GLU 7 Ca 0.10 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 2ak7 s GLU 7 Cb -0.05 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.87 2ak7 s GLU 7 CO 0.03 0.01 1.19 0.08 -0.54 0.00 0.00 175.26 176.04 2ak7 s VAL 8 N 1.10 4.26 -1.47 3.70 1.01 -1.26 -4.82 120.40 122.91 2ak7 s VAL 8 Ca 0.26 1.39 0.15 0.00 0.00 0.00 0.00 61.98 63.77 2ak7 s VAL 8 Cb -0.15 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.89 2ak7 s VAL 8 CO 0.10 -0.64 0.84 0.54 0.00 0.00 0.00 175.10 175.94 2ak7 n ARG 9 N 7.38 1.61 -1.63 2.72 1.74 -1.26 -4.99 116.66 122.22 2ak7 n ARG 9 Ca 0.13 -0.93 -0.32 0.00 -0.77 0.00 0.00 57.85 55.97 2ak7 n ARG 9 Cb 0.47 -1.24 0.05 0.00 -1.02 0.00 0.00 32.46 30.73 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 -1.73 3.25 0.37 0.55 1.43 -1.26 -5.00 118.68 116.30 2ak7 s LEU 10 Ca 0.13 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.80 2ak7 s LEU 10 Cb 0.12 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.72 2ak7 s LEU 10 CO 0.31 -1.61 1.14 -0.54 0.23 0.00 0.00 176.35 175.88 2ak7 s LYS 11 N -4.52 4.20 0.32 1.70 1.02 -1.26 -5.06 119.74 116.13 2ak7 s LYS 11 Ca 0.63 1.80 0.08 0.00 0.02 0.00 0.00 55.97 58.49 2ak7 s LYS 11 Cb -0.17 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.31 2ak7 s LYS 11 CO 0.48 -0.18 -0.06 0.95 -0.92 0.00 0.00 175.35 175.61 2ak7 s THR 12 N -1.40 1.87 0.28 2.17 -4.23 -1.26 -5.05 115.64 108.02 2ak7 s THR 12 Ca 0.54 -2.14 -0.20 0.00 -1.18 0.00 0.00 61.69 58.72 2ak7 s THR 12 Cb -0.30 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.01 2ak7 s THR 12 CO 0.38 -0.22 0.87 -0.83 -0.54 0.00 0.00 174.62 174.28 2ak7 s GLY 13 N -3.53 0.12 0.27 3.99 0.00 -1.15 -0.78 107.32 106.24 2ak7 s GLY 13 Ca 0.32 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 2ak7 s GLY 13 CO 0.14 0.49 1.30 1.04 0.00 0.00 0.00 173.10 176.07 2ak7 n LEU 14 N -0.55 2.95 -4.80 0.66 4.77 -1.26 -4.91 117.00 113.86 2ak7 n LEU 14 Ca -0.06 1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 56.78 2ak7 n LEU 14 Cb 0.60 -1.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.34 2ak7 n LEU 14 CO 0.21 -0.67 0.71 -1.10 -1.33 0.00 0.00 177.39 175.20 2ak7 s GLN 15 N -1.02 2.64 0.17 3.23 -0.21 -1.26 -4.72 119.66 118.49 2ak7 s GLN 15 Ca 0.63 0.97 -0.15 0.00 0.02 0.00 0.00 55.36 56.83 2ak7 s GLN 15 Cb -0.65 -1.95 0.12 0.00 1.00 0.00 0.00 33.01 31.53 2ak7 s GLN 15 CO 0.55 -1.32 1.70 0.00 -2.12 0.00 0.00 175.29 174.10 2ak7 h ALA 16 N -0.88 0.38 0.51 6.09 0.00 -1.98 -1.61 119.26 121.78 2ak7 h ALA 16 Ca -0.44 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2ak7 h ALA 16 Cb 1.22 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2ak7 h ALA 16 CO 0.56 -0.39 -0.31 -0.09 0.00 0.00 0.00 179.25 179.02 2ak7 h ARG 17 N 0.11 -0.75 -0.90 0.00 2.43 -2.00 0.51 114.38 113.79 2ak7 h ARG 17 Ca 0.21 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 2ak7 h ARG 17 Cb 0.29 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 2ak7 h ARG 17 CO -0.34 -0.50 0.58 -1.35 -1.51 0.00 0.00 179.97 176.85 2ak7 h PRO 18 N -0.78 0.95 -0.43 0.20 0.11 -1.93 -2.05 132.00 128.08 2ak7 h PRO 18 Ca -0.06 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.92 2ak7 h PRO 18 Cb 0.63 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 2ak7 h PRO 18 CO 0.07 0.63 -0.01 0.00 -0.21 0.00 0.00 178.00 178.48 2ak7 h ALA 19 N 1.53 0.58 -0.71 -0.75 0.00 -1.00 -1.66 119.26 117.24 2ak7 h ALA 19 Ca 0.40 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2ak7 h ALA 19 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2ak7 h ALA 19 CO -0.16 0.38 0.46 0.00 0.00 0.00 0.00 179.25 179.93 2ak7 h ALA 20 N 0.89 0.90 -0.23 0.00 0.00 -0.23 -0.60 119.26 119.99 2ak7 h ALA 20 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2ak7 h ALA 20 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ak7 h ALA 20 CO 0.02 0.33 -0.29 -0.07 0.00 0.00 0.00 179.25 179.25 2ak7 h LEU 21 N 0.96 0.47 0.17 0.00 3.38 -1.32 -0.86 115.31 118.11 2ak7 h LEU 21 Ca 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2ak7 h LEU 21 Cb -0.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2ak7 h LEU 21 CO -0.05 0.74 -0.08 0.15 0.09 0.00 0.00 178.44 179.28 2ak7 h PHE 22 N 0.40 -0.22 -0.63 1.13 3.04 -0.67 -2.34 116.94 117.66 2ak7 h PHE 22 Ca 0.05 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.02 2ak7 h PHE 22 Cb 0.71 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.25 2ak7 h PHE 22 CO 0.02 -0.07 0.40 0.28 -2.02 0.00 0.00 178.31 176.93 2ak7 h VAL 23 N -0.32 1.11 -0.75 1.41 2.07 -0.92 -0.14 116.25 118.70 2ak7 h VAL 23 Ca -0.02 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2ak7 h VAL 23 Cb 0.25 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2ak7 h VAL 23 CO 0.04 0.15 0.43 -0.61 0.02 0.00 0.00 177.57 177.59 2ak7 h GLN 24 N 0.80 0.73 -0.11 1.57 4.15 -1.01 -0.10 115.11 121.13 2ak7 h GLN 24 Ca 0.24 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 2ak7 h GLN 24 Cb -0.03 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.49 2ak7 h GLN 24 CO -0.08 0.48 -0.22 0.93 -1.93 0.00 0.00 178.83 178.01 2ak7 h GLU 25 N 0.75 0.35 -0.87 1.69 5.08 -0.95 -3.26 114.58 117.37 2ak7 h GLU 25 Ca 0.35 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2ak7 h GLU 25 Cb 0.27 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2ak7 h GLU 25 CO -0.21 0.82 0.57 0.00 -1.00 0.00 0.00 179.01 179.19 2ak7 h ALA 26 N 0.53 1.45 0.00 3.43 0.00 -0.64 -2.12 119.26 121.90 2ak7 h ALA 26 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ak7 h ALA 26 Cb 0.81 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ak7 h ALA 26 CO 0.05 0.47 0.00 -0.91 0.00 0.00 0.00 179.25 178.86 2ak7 h ASN 27 N 1.10 0.00 0.14 0.00 -0.26 -1.06 -1.82 115.58 113.68 2ak7 h ASN 27 Ca 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 2ak7 h ASN 27 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2ak7 h ASN 27 CO -0.10 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 176.81 2ak7 n ARG 28 N -2.60 0.81 -4.49 0.81 1.74 -0.79 -4.79 116.66 107.34 2ak7 n ARG 28 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 2ak7 n ARG 28 Cb 0.06 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.14 2.58 -0.46 -1.55 0.08 -0.68 -5.02 117.98 110.78 2ak7 s PHE 29 Ca 0.41 -0.24 0.23 0.00 0.12 0.00 0.00 56.93 57.45 2ak7 s PHE 29 Cb 0.20 -1.43 0.35 0.00 -0.57 0.00 0.00 43.02 41.58 2ak7 s PHE 29 CO 0.37 0.32 1.53 1.79 -0.10 0.00 0.00 175.22 179.13 2ak7 h THR 30 N 3.74 0.00 -4.14 0.64 1.35 -1.86 -3.46 112.91 109.18 2ak7 h THR 30 Ca -0.49 -0.90 -0.52 0.00 -0.55 0.00 0.00 66.41 63.95 2ak7 h THR 30 Cb 1.16 1.80 0.12 0.00 -1.73 0.00 0.00 68.15 69.50 2ak7 h THR 30 CO 0.48 0.00 0.43 -0.44 -0.25 0.00 0.00 175.52 175.73 2ak7 s SER 31 N -5.75 5.00 0.37 5.36 0.01 -1.26 -4.90 113.70 112.53 2ak7 s SER 31 Ca 0.06 2.27 -0.24 0.00 1.31 0.00 0.00 55.95 59.35 2ak7 s SER 31 Cb 0.07 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 2ak7 s SER 31 CO 0.68 -1.71 0.99 -1.81 0.41 0.00 0.00 173.24 171.79 2ak7 s ASP 32 N -1.92 7.04 -0.05 2.44 1.01 0.13 -4.84 116.67 120.47 2ak7 s ASP 32 Ca 0.74 1.89 0.01 0.00 0.71 0.00 0.00 52.55 55.89 2ak7 s ASP 32 Cb -0.27 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.11 2ak7 s ASP 32 CO 0.37 -0.29 -0.04 -0.69 0.21 0.00 0.00 175.17 174.73 2ak7 s VAL 33 N -1.74 0.56 0.16 -1.27 1.01 -1.26 -1.66 120.40 116.20 2ak7 s VAL 33 Ca 0.55 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2ak7 s VAL 33 Cb -0.18 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2ak7 s VAL 33 CO 0.23 0.25 -0.13 -0.36 0.00 0.00 0.00 175.10 175.09 2ak7 s PHE 34 N 1.15 1.45 -0.06 5.22 0.08 0.00 -0.45 117.98 125.38 2ak7 s PHE 34 Ca -0.07 -0.63 0.06 0.00 0.12 0.00 0.00 56.93 56.40 2ak7 s PHE 34 Cb -0.14 -0.72 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 2ak7 s PHE 34 CO -0.01 0.19 -0.24 -1.17 -0.10 0.00 0.00 175.22 173.88 2ak7 s LEU 35 N -2.97 2.06 0.02 -0.37 2.96 -0.38 -0.79 118.68 119.21 2ak7 s LEU 35 Ca 0.16 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 2ak7 s LEU 35 Cb -0.01 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 2ak7 s LEU 35 CO 0.03 0.23 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.56 2ak7 s GLU 36 N -0.11 0.30 -0.28 1.98 2.12 0.54 -1.30 118.70 121.95 2ak7 s GLU 36 Ca -0.05 -0.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 2ak7 s GLU 36 Cb -0.14 -0.10 0.08 0.00 0.26 0.00 0.00 34.13 34.23 2ak7 s GLU 36 CO 0.04 0.01 0.69 0.21 -0.54 0.00 0.00 175.26 175.68 2ak7 s LYS 37 N -0.86 0.73 -1.50 4.30 2.20 -0.63 -0.57 119.74 123.41 2ak7 s LYS 37 Ca -0.07 1.20 -0.09 0.00 -0.36 0.00 0.00 55.97 56.65 2ak7 s LYS 37 Cb -0.06 0.18 0.06 0.00 -1.51 0.00 0.00 37.83 36.50 2ak7 s LYS 37 CO -0.00 -0.14 0.75 -0.25 -0.36 0.00 0.00 175.35 175.35 2ak7 n ASP 38 N 4.08 -2.71 0.00 1.43 8.00 -1.26 -1.47 116.55 124.63 2ak7 n ASP 38 Ca -0.19 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2ak7 n ASP 38 Cb 0.58 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.68 1.66 3.77 0.44 0.00 -1.26 -5.01 105.19 103.10 2ak7 n GLY 39 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2ak7 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ak7 s LYS 40 N -0.03 3.91 -0.09 1.61 -0.14 -0.54 -5.09 119.74 119.38 2ak7 s LYS 40 Ca 0.00 -0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.43 2ak7 s LYS 40 Cb 0.00 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 2ak7 s LYS 40 CO 0.00 0.45 -0.15 0.21 -0.76 0.00 0.00 175.35 175.10 2ak7 s LYS 41 N -0.09 2.15 0.14 1.68 2.20 -1.26 -1.60 119.74 122.95 2ak7 s LYS 41 Ca 0.10 -0.55 0.10 0.00 -0.36 0.00 0.00 55.97 55.26 2ak7 s LYS 41 Cb -0.11 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.41 2ak7 s LYS 41 CO 0.00 0.02 -0.23 0.14 -0.36 0.00 0.00 175.35 174.91 2ak7 s VAL 42 N 0.75 2.07 -0.25 4.02 -7.23 -0.42 -4.98 120.40 114.36 2ak7 s VAL 42 Ca -0.12 -1.80 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 2ak7 s VAL 42 Cb -0.16 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.90 2ak7 s VAL 42 CO 0.02 -0.07 1.06 0.21 -0.31 0.00 0.00 175.10 176.02 2ak7 s ASN 43 N -2.27 7.06 0.00 4.85 3.84 -1.26 -1.25 114.94 125.91 2ak7 s ASN 43 Ca 0.14 1.33 0.21 0.00 0.21 0.00 0.00 52.86 54.74 2ak7 s ASN 43 Cb -0.09 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 39.13 2ak7 s ASN 43 CO 0.07 -0.72 1.66 0.00 -2.79 0.00 0.00 177.10 175.32 2ak7 n ALA 44 N 6.45 2.10 -2.14 1.71 0.00 0.41 -3.43 120.51 125.60 2ak7 n ALA 44 Ca 0.12 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 2ak7 n ALA 44 Cb 0.46 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.27 4.13 -0.03 0.00 5.02 -1.26 -4.13 118.16 120.62 2ak7 n LYS 45 Ca 0.10 -3.76 -0.07 0.00 -2.02 0.00 0.00 58.31 52.56 2ak7 n LYS 45 Cb 0.16 -2.41 -0.02 0.00 -0.02 0.00 0.00 35.03 32.74 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 0.36 0.50 -0.14 -0.18 5.41 -1.26 -4.94 119.36 119.11 2ak7 n ILE 47 Ca 0.52 -0.05 -0.05 0.00 1.00 0.00 0.00 62.75 64.17 2ak7 n ILE 47 Cb 0.29 -1.62 0.14 0.00 -0.71 0.00 0.00 39.64 37.75 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 -0.26 0.86 0.29 0.38 2.86 -1.97 -1.25 114.93 115.84 2ak7 h MET 48 Ca -0.16 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 2ak7 h MET 48 Cb 1.06 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2ak7 h MET 48 CO -0.10 0.83 -0.14 0.78 1.06 0.00 0.00 176.91 179.34 2ak7 h GLY 49 N 0.99 -0.40 0.56 8.32 0.00 -1.98 -1.70 103.07 108.86 2ak7 h GLY 49 Ca 0.16 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.73 2ak7 h GLY 49 CO 0.01 -0.15 0.43 1.41 0.00 0.00 0.00 176.54 178.25 2ak7 h LEU 50 N -0.43 0.62 -0.93 3.11 3.38 -1.54 -1.70 115.31 117.82 2ak7 h LEU 50 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ak7 h LEU 50 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ak7 h LEU 50 CO 0.06 0.37 0.00 0.24 0.09 0.00 0.00 178.44 179.20 2ak7 h MET 51 N 0.74 0.00 0.00 1.13 2.86 -1.01 -3.04 114.93 115.61 2ak7 h MET 51 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 2ak7 h MET 51 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2ak7 h MET 51 CO -0.23 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.61 2ak7 n SER 52 N -2.58 0.02 -4.69 1.22 3.41 -0.64 -4.54 113.62 105.81 2ak7 n SER 52 Ca 0.02 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.72 2ak7 n SER 52 Cb 0.28 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 2ak7 n SER 52 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ak7 s LEU 53 N -3.03 4.26 -0.37 1.04 2.96 -1.15 -4.99 118.68 117.39 2ak7 s LEU 53 Ca 0.13 1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 54.96 2ak7 s LEU 53 Cb 0.18 -3.18 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 2ak7 s LEU 53 CO 0.50 -0.25 1.57 0.00 -1.32 0.00 0.00 176.35 176.85 2ak7 s ALA 54 N 1.40 3.00 0.05 5.97 0.00 -1.26 -4.49 121.76 126.43 2ak7 s ALA 54 Ca 0.39 0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2ak7 s ALA 54 Cb -0.18 -3.96 -0.01 0.00 0.00 0.00 0.00 23.12 18.97 2ak7 s ALA 54 CO 0.17 -2.45 0.09 0.14 0.00 0.00 0.00 175.76 173.71 2ak7 s VAL 55 N 5.95 0.16 0.13 0.00 -7.23 0.04 -4.97 120.40 114.47 2ak7 s VAL 55 Ca 0.69 -1.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.64 2ak7 s VAL 55 Cb -0.18 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2ak7 s VAL 55 CO 0.33 -0.71 -0.16 -0.44 -0.31 0.00 0.00 175.10 173.81 2ak7 s SER 56 N -2.51 2.23 0.18 4.85 0.01 -1.26 -2.95 113.70 114.24 2ak7 s SER 56 Ca 0.01 -0.80 -0.32 0.00 1.31 0.00 0.00 55.95 56.15 2ak7 s SER 56 Cb 0.03 -0.10 -0.11 0.00 0.21 0.00 0.00 66.02 66.05 2ak7 s SER 56 CO -0.08 -0.09 1.63 -0.89 0.41 0.00 0.00 173.24 174.23 2ak7 s THR 57 N -1.97 2.40 0.00 1.44 2.01 -1.26 -1.10 115.64 117.16 2ak7 s THR 57 Ca 0.10 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2ak7 s THR 57 Cb -0.06 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2ak7 s THR 57 CO 0.04 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2ak7 n GLY 58 N 3.85 0.28 3.78 4.40 0.00 -1.26 -5.06 105.19 111.18 2ak7 n GLY 58 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2ak7 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ak7 s THR 59 N -2.07 3.93 -0.12 2.61 2.01 -0.26 -5.04 115.64 116.70 2ak7 s THR 59 Ca 0.00 1.51 -0.17 0.00 0.31 0.00 0.00 61.69 63.34 2ak7 s THR 59 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2ak7 s THR 59 CO 0.00 0.04 0.44 -1.61 -0.69 0.00 0.00 174.62 172.81 2ak7 s GLU 60 N -2.36 4.30 0.24 4.92 0.41 -1.26 -4.95 118.70 120.01 2ak7 s GLU 60 Ca 0.55 0.39 0.02 0.00 -0.41 0.00 0.00 54.97 55.52 2ak7 s GLU 60 Cb -0.20 -3.42 -0.05 0.00 -1.78 0.00 0.00 34.13 28.68 2ak7 s GLU 60 CO 0.26 0.21 0.06 0.14 -0.49 0.00 0.00 175.26 175.43 2ak7 s VAL 61 N 0.47 0.71 -0.20 2.63 -7.23 -1.26 -4.96 120.40 110.55 2ak7 s VAL 61 Ca 0.24 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 2ak7 s VAL 61 Cb -0.15 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 2ak7 s VAL 61 CO 0.09 -0.16 0.01 -0.89 -0.31 0.00 0.00 175.10 173.85 2ak7 s THR 62 N -3.64 4.12 -0.20 5.32 2.01 0.27 -4.95 115.64 118.56 2ak7 s THR 62 Ca 0.33 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 2ak7 s THR 62 Cb 0.07 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2ak7 s THR 62 CO 0.11 0.43 0.26 -0.22 -0.69 0.00 0.00 174.62 174.50 2ak7 s LEU 63 N 0.91 4.17 -0.03 4.42 0.20 -1.26 -0.34 118.68 126.76 2ak7 s LEU 63 Ca 0.02 0.34 0.06 0.00 0.69 0.00 0.00 54.13 55.24 2ak7 s LEU 63 Cb -0.14 -2.29 -0.01 0.00 -0.43 0.00 0.00 46.19 43.32 2ak7 s LEU 63 CO 0.02 0.05 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.28 2ak7 s ILE 64 N 0.90 1.72 -0.00 6.68 1.01 0.03 -5.00 121.20 126.53 2ak7 s ILE 64 Ca 0.13 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2ak7 s ILE 64 Cb -0.13 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2ak7 s ILE 64 CO 0.04 0.49 -0.00 0.00 0.00 0.00 0.00 174.94 175.47 2ak7 s ALA 65 N -0.34 0.10 -0.05 9.38 0.00 -1.26 -0.82 121.76 128.77 2ak7 s ALA 65 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 2ak7 s ALA 65 Cb -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ak7 s ALA 65 CO 0.01 -0.00 0.09 -1.14 0.00 0.00 0.00 175.76 174.71 2ak7 s GLN 66 N 0.18 -0.05 0.00 0.00 0.74 -0.67 -4.90 119.66 114.96 2ak7 s GLN 66 Ca -0.01 0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.82 2ak7 s GLN 66 Cb -0.03 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.65 2ak7 s GLN 66 CO -0.01 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 2ak7 n GLY 67 N 5.26 -0.19 0.35 2.59 0.00 -1.26 -0.69 105.19 111.24 2ak7 n GLY 67 Ca -0.05 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.83 -0.54 1.61 4.57 -1.98 -2.26 114.58 116.81 2ak7 h GLU 68 Ca 0.00 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 57.90 2ak7 h GLU 68 Cb 0.00 -0.19 -0.13 0.00 -0.16 0.00 0.00 28.75 28.27 2ak7 h GLU 68 CO 0.00 0.55 0.15 -0.40 -1.18 0.00 0.00 179.01 178.14 2ak7 n ASP 69 N -4.71 3.44 -0.31 1.04 5.68 -1.26 -4.75 116.55 115.69 2ak7 n ASP 69 Ca 0.19 -3.50 0.11 0.00 -0.50 0.00 0.00 54.79 51.09 2ak7 n ASP 69 Cb 0.41 -0.68 0.34 0.00 -1.14 0.00 0.00 41.12 40.05 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 1.46 0.74 -0.10 0.11 4.11 -1.74 -1.24 114.58 117.93 2ak7 h GLU 70 Ca 0.28 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 2ak7 h GLU 70 Cb 2.00 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 2ak7 h GLU 70 CO 0.58 0.49 0.04 1.96 0.07 0.00 0.00 179.01 182.15 2ak7 h GLN 71 N 0.77 0.16 -0.26 1.06 1.08 -1.85 0.05 115.11 116.11 2ak7 h GLN 71 Ca 0.49 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.53 2ak7 h GLN 71 Cb 0.72 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 2ak7 h GLN 71 CO -0.25 0.27 -0.35 1.49 -0.95 0.00 0.00 178.83 179.04 2ak7 h GLU 72 N 0.01 0.57 -0.44 1.46 4.57 -1.86 -1.68 114.58 117.22 2ak7 h GLU 72 Ca 0.03 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2ak7 h GLU 72 Cb 0.18 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2ak7 h GLU 72 CO -0.00 0.84 0.23 0.00 -1.18 0.00 0.00 179.01 178.90 2ak7 h ALA 73 N 1.13 0.56 -0.18 2.92 0.00 -1.08 -1.01 119.26 121.60 2ak7 h ALA 73 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ak7 h ALA 73 Cb 0.83 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2ak7 h ALA 73 CO 0.07 0.09 0.09 1.25 0.00 0.00 0.00 179.25 180.75 2ak7 h LEU 74 N 0.57 0.23 -0.37 0.00 5.85 -0.79 -1.28 115.31 119.52 2ak7 h LEU 74 Ca 0.15 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2ak7 h LEU 74 Cb 0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2ak7 h LEU 74 CO -0.02 0.28 0.23 -0.33 -0.34 0.00 0.00 178.44 178.25 2ak7 h GLU 75 N 0.17 0.49 -0.23 1.25 5.08 -1.11 0.42 114.58 120.66 2ak7 h GLU 75 Ca 0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2ak7 h GLU 75 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ak7 h GLU 75 CO -0.01 0.36 -0.11 0.87 -1.00 0.00 0.00 179.01 179.12 2ak7 h LYS 76 N 0.49 0.47 -0.07 2.33 6.56 -1.14 -2.66 116.57 122.55 2ak7 h LYS 76 Ca 0.13 -0.21 -0.15 0.00 -1.06 0.00 0.00 60.65 59.37 2ak7 h LYS 76 Cb -0.01 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.62 2ak7 h LYS 76 CO -0.03 0.75 -0.60 -0.07 -2.06 0.00 0.00 179.45 177.43 2ak7 h LEU 77 N 0.18 0.26 -0.54 2.94 3.38 -1.19 -1.91 115.31 118.43 2ak7 h LEU 77 Ca 0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2ak7 h LEU 77 Cb 0.60 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2ak7 h LEU 77 CO 0.03 0.80 0.10 0.00 0.09 0.00 0.00 178.44 179.47 2ak7 h ALA 78 N 1.20 0.72 -0.70 1.53 0.00 -0.93 -0.14 119.26 120.93 2ak7 h ALA 78 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ak7 h ALA 78 Cb 1.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2ak7 h ALA 78 CO 0.09 0.45 0.35 0.00 0.00 0.00 0.00 179.25 180.14 2ak7 h ALA 79 N 1.00 0.90 0.28 0.00 0.00 -1.32 -1.94 119.26 118.18 2ak7 h ALA 79 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ak7 h ALA 79 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ak7 h ALA 79 CO 0.01 0.45 -0.14 -0.92 0.00 0.00 0.00 179.25 178.66 2ak7 h TYR 80 N 0.97 -0.35 -0.70 0.00 3.20 -0.95 0.58 116.97 119.72 2ak7 h TYR 80 Ca 0.24 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2ak7 h TYR 80 Cb 0.10 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2ak7 h TYR 80 CO 0.00 -0.12 0.46 0.28 -1.64 0.00 0.00 178.16 177.15 2ak7 h VAL 81 N -0.54 0.98 -0.38 1.81 2.07 -0.94 -0.65 116.25 118.61 2ak7 h VAL 81 Ca -0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2ak7 h VAL 81 Cb 0.40 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2ak7 h VAL 81 CO 0.06 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.78 2ak7 n GLN 82 N -4.48 2.02 -3.81 1.57 6.02 -0.74 -4.95 117.38 113.01 2ak7 n GLN 82 Ca 0.11 -1.57 -0.25 0.00 -0.01 0.00 0.00 57.00 55.28 2ak7 n GLN 82 Cb 0.27 -1.38 0.01 0.00 1.02 0.00 0.00 30.24 30.16 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 0.77 -3.43 -4.08 -1.09 1.02 -0.25 -4.98 120.64 108.59 2ak7 n GLU 83 Ca 0.16 0.49 -0.35 0.00 -0.02 0.00 0.00 57.16 57.44 2ak7 n GLU 83 Cb 0.39 -4.68 -0.07 0.00 -0.02 0.00 0.00 31.44 27.06 2ak7 n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2ak7 s GLU 84 N -6.23 3.22 0.35 3.49 2.02 0.10 -5.04 118.70 116.61 2ak7 s GLU 84 Ca 0.09 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.81 2ak7 s GLU 84 Cb -0.03 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2ak7 s GLU 84 CO 0.86 0.72 0.11 1.55 0.02 0.00 0.00 175.26 178.51 2ak7 n VAL 85 N 1.80 0.00 -0.18 2.63 3.14 -1.26 -4.66 118.33 119.80 2ak7 n VAL 85 Ca -0.17 -1.98 0.00 0.00 -2.96 0.00 0.00 64.34 59.23 2ak7 n VAL 85 Cb 0.54 0.67 0.00 0.00 -1.06 0.00 0.00 33.84 33.99 2ak7 n VAL 85 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26