#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hac n HIS 2 N 0.00 0.00 -1.43 6.34 8.25 -1.26 -4.57 115.22 122.55 1hac n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1hac n HIS 2 Cb 0.00 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1hac n HIS 2 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hac n LEU 3 N -1.41 -2.12 -4.85 2.41 7.99 -1.26 -4.98 117.00 112.78 1hac n LEU 3 Ca 0.00 2.75 -0.32 0.00 -0.01 0.00 0.00 56.01 58.43 1hac n LEU 3 Cb 0.00 -2.58 -0.06 0.00 -0.11 0.00 0.00 43.42 40.67 1hac n LEU 3 CO 0.00 0.39 0.46 0.42 -1.51 0.00 0.00 177.39 177.15 1hac s THR 4 N -3.29 4.65 0.28 -5.08 -4.23 -1.26 -4.78 115.64 101.93 1hac s THR 4 Ca 0.00 0.98 -0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1hac s THR 4 Cb 0.00 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.48 1hac s THR 4 CO 0.00 -0.26 1.92 -0.65 -0.54 0.00 0.00 174.62 175.09 1hac h PRO 5 N 2.04 1.13 0.00 3.99 0.11 -1.97 2.63 132.00 139.94 1hac h PRO 5 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1hac h PRO 5 Cb 1.18 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1hac h PRO 5 CO 0.64 0.75 0.00 -0.85 -0.21 0.00 0.00 178.00 178.34 1hac n GLU 6 N -4.45 0.60 -0.02 1.05 0.00 -1.26 -0.32 120.64 116.24 1hac n GLU 6 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 57.16 57.30 1hac n GLU 6 Cb 0.12 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.05 1hac n GLU 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1hac n GLU 7 N -1.10 0.13 -0.32 3.44 1.02 0.94 -3.61 120.64 121.14 1hac n GLU 7 Ca 0.15 0.18 0.31 0.00 -0.02 0.00 0.00 57.16 57.79 1hac n GLU 7 Cb 0.12 -0.87 0.67 0.00 -0.02 0.00 0.00 31.44 31.34 1hac n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1hac h LYS 8 N -0.27 0.13 0.00 3.49 3.11 0.45 -1.27 116.57 122.22 1hac h LYS 8 Ca 0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1hac h LYS 8 Cb 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1hac h LYS 8 CO 0.00 0.08 0.00 0.45 -2.81 0.00 0.00 179.45 177.17 1hac n SER 9 N -4.35 0.00 -0.39 4.20 2.88 0.56 -3.61 113.62 112.92 1hac n SER 9 Ca 0.26 0.74 0.34 0.00 -1.33 0.00 0.00 58.87 58.88 1hac n SER 9 Cb 1.13 -0.47 0.59 0.00 -0.75 0.00 0.00 64.21 64.71 1hac n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hac n ALA 10 N -1.91 1.15 0.18 -1.46 0.00 -0.57 0.73 120.51 118.62 1hac n ALA 10 Ca 0.00 0.84 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 1hac n ALA 10 Cb 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1hac n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1hac h VAL 11 N 0.00 0.00 -1.07 0.00 2.07 -1.44 -1.66 116.25 114.16 1hac h VAL 11 Ca 0.79 -0.11 0.31 0.00 0.82 0.00 0.00 66.70 68.51 1hac h VAL 11 Cb 2.42 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.07 1hac h VAL 11 CO -0.51 0.00 0.65 0.74 0.02 0.00 0.00 177.57 178.47 1hac h THR 12 N -0.59 0.39 0.79 2.57 2.02 -0.96 0.65 112.91 117.77 1hac h THR 12 Ca -0.05 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1hac h THR 12 Cb 0.36 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1hac h THR 12 CO 0.08 0.07 -0.38 0.00 0.37 0.00 0.00 175.52 175.66 1hac h ALA 13 N 1.71 -1.25 -0.78 6.16 0.00 0.52 -2.38 119.26 123.25 1hac h ALA 13 Ca 0.69 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.49 1hac h ALA 13 Cb 1.68 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.83 1hac h ALA 13 CO -0.45 -1.18 0.51 1.25 0.00 0.00 0.00 179.25 179.38 1hac h LEU 14 N -1.08 0.54 -1.00 0.00 7.12 0.09 -1.75 115.31 119.23 1hac h LEU 14 Ca -0.11 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 1hac h LEU 14 Cb 0.81 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1hac h LEU 14 CO 0.18 0.30 -0.00 -0.25 -0.13 0.00 0.00 178.44 178.53 1hac h TRP 15 N 0.59 0.76 -0.03 1.25 2.91 0.35 0.07 115.95 121.84 1hac h TRP 15 Ca 0.37 -0.10 0.01 0.00 1.13 0.00 0.00 58.89 60.30 1hac h TRP 15 Cb 0.63 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1hac h TRP 15 CO -0.00 0.71 0.05 0.78 -1.03 0.00 0.00 178.44 178.95 1hac h GLY 16 N 0.95 0.00 1.74 2.65 0.00 -0.78 0.12 103.07 107.75 1hac h GLY 16 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1hac h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1hac n LYS 17 N -3.65 0.25 -2.49 4.80 4.01 0.01 -4.87 118.16 116.21 1hac n LYS 17 Ca -0.02 0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 1hac n LYS 17 Cb 0.13 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 1hac n LYS 17 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1hac s VAL 18 N -2.74 4.10 -1.19 -0.18 1.01 0.41 -4.95 120.40 116.85 1hac s VAL 18 Ca 0.22 1.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 1hac s VAL 18 Cb 0.19 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.71 1hac s VAL 18 CO 0.47 0.17 1.44 0.21 0.00 0.00 0.00 175.10 177.39 1hac s ASN 19 N 0.72 7.00 0.29 3.32 3.84 -1.26 -4.88 114.94 123.97 1hac s ASN 19 Ca 0.55 -2.84 -0.02 0.00 0.21 0.00 0.00 52.86 50.77 1hac s ASN 19 Cb -0.28 -2.42 0.64 0.00 -0.55 0.00 0.00 41.25 38.63 1hac s ASN 19 CO 0.31 -0.83 1.59 -0.37 -2.79 0.00 0.00 177.10 175.01 1hac h VAL 20 N 4.89 0.13 -1.03 -5.21 -1.51 -1.94 0.14 116.25 111.73 1hac h VAL 20 Ca 0.32 -0.02 0.29 0.00 -1.23 0.00 0.00 66.70 66.06 1hac h VAL 20 Cb 0.89 0.08 -0.05 0.00 -2.13 0.00 0.00 31.29 30.08 1hac h VAL 20 CO 1.26 0.01 0.73 0.44 -1.23 0.00 0.00 177.57 178.78 1hac h ASP 21 N 0.05 0.07 0.00 4.19 5.19 -1.96 -3.22 116.42 120.74 1hac h ASP 21 Ca 0.53 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.95 1hac h ASP 21 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1hac h ASP 21 CO -0.84 0.02 -0.80 -0.62 -3.12 0.00 0.00 179.24 173.88 1hac n GLU 22 N -4.28 0.49 -0.34 3.56 4.71 0.42 -4.62 120.64 120.58 1hac n GLU 22 Ca 0.22 0.33 0.25 0.00 -0.01 0.00 0.00 57.16 57.95 1hac n GLU 22 Cb 1.06 -1.52 0.50 0.00 -1.01 0.00 0.00 31.44 30.47 1hac n GLU 22 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1hac h VAL 23 N -0.98 0.29 -0.25 2.62 2.07 -1.33 -1.76 116.25 116.91 1hac h VAL 23 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1hac h VAL 23 Cb 0.80 -0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1hac h VAL 23 CO 0.00 0.06 -0.31 1.23 0.02 0.00 0.00 177.57 178.57 1hac h GLY 24 N 0.30 -0.32 2.00 2.17 0.00 -1.69 -1.49 103.07 104.04 1hac h GLY 24 Ca 0.74 0.39 -0.09 0.00 0.00 0.00 0.00 47.33 48.37 1hac h GLY 24 CO -0.57 -0.21 -0.40 -1.33 0.00 0.00 0.00 176.54 174.02 1hac h GLY 25 N -0.31 0.00 0.78 4.60 0.00 -1.48 -0.76 103.07 105.89 1hac h GLY 25 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1hac h GLY 25 CO -0.43 0.00 0.01 0.83 0.00 0.00 0.00 176.54 176.95 1hac h GLU 26 N 0.00 0.21 0.57 4.80 4.39 -1.17 0.12 114.58 123.50 1hac h GLU 26 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1hac h GLU 26 Cb 0.80 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1hac h GLU 26 CO 0.05 0.44 -0.42 0.00 -1.16 0.00 0.00 179.01 177.92 1hac h ALA 27 N 0.77 -1.16 -0.91 3.43 0.00 -1.14 0.33 119.26 120.57 1hac h ALA 27 Ca 0.04 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1hac h ALA 27 Cb 0.34 0.58 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 1hac h ALA 27 CO 0.00 -1.15 0.53 1.25 0.00 0.00 0.00 179.25 179.88 1hac h LEU 28 N -0.94 0.74 -0.03 0.00 5.85 -1.13 0.13 115.31 119.93 1hac h LEU 28 Ca -0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hac h LEU 28 Cb 0.78 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1hac h LEU 28 CO 0.03 0.37 -0.01 1.23 -0.34 0.00 0.00 178.44 179.72 1hac h GLY 29 N 0.82 0.06 1.55 3.75 0.00 -0.61 -1.97 103.07 106.66 1hac h GLY 29 Ca 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1hac h GLY 29 CO -0.29 0.05 0.30 3.21 0.00 0.00 0.00 176.54 179.80 1hac h ARG 30 N -0.34 0.61 -0.13 4.80 3.08 0.71 0.18 114.38 123.30 1hac h ARG 30 Ca 0.01 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1hac h ARG 30 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1hac h ARG 30 CO 0.00 0.41 0.06 1.25 -1.07 0.00 0.00 179.97 180.62 1hac h LEU 31 N 0.63 0.08 -0.88 3.04 5.85 -0.47 0.62 115.31 124.18 1hac h LEU 31 Ca 0.17 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1hac h LEU 31 Cb -0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1hac h LEU 31 CO -0.04 0.07 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.85 1hac h LEU 32 N 0.13 0.59 0.03 2.25 3.38 -0.58 0.54 115.31 121.65 1hac h LEU 32 Ca 0.05 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1hac h LEU 32 Cb 0.01 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1hac h LEU 32 CO -0.04 0.80 -0.61 0.58 0.09 0.00 0.00 178.44 179.26 1hac h VAL 33 N 0.53 1.46 -0.00 1.22 2.07 -0.22 -3.19 116.25 118.11 1hac h VAL 33 Ca 0.08 -2.16 -0.18 0.00 0.82 0.00 0.00 66.70 65.26 1hac h VAL 33 Cb 0.65 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1hac h VAL 33 CO 0.05 0.62 -0.82 0.58 0.02 0.00 0.00 177.57 178.02 1hac h VAL 34 N -0.19 1.52 -2.27 2.57 2.07 0.35 -3.37 116.25 116.94 1hac h VAL 34 Ca -0.08 -2.63 -0.59 0.00 0.82 0.00 0.00 66.70 64.22 1hac h VAL 34 Cb 1.35 2.44 -0.40 0.00 -1.52 0.00 0.00 31.29 33.16 1hac h VAL 34 CO 0.12 0.76 -0.85 -1.22 0.02 0.00 0.00 177.57 176.40 1hac n TYR 35 N -3.64 1.28 -0.33 1.57 4.01 0.19 -4.99 117.16 115.25 1hac n TYR 35 Ca -0.02 -3.80 0.25 0.00 -0.16 0.00 0.00 57.90 54.16 1hac n TYR 35 Cb 0.78 -0.35 0.49 0.00 -0.31 0.00 0.00 39.34 39.95 1hac n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1hac h PRO 36 N 4.52 0.24 0.00 -0.72 0.11 -1.72 -0.83 132.00 133.61 1hac h PRO 36 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1hac h PRO 36 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1hac h PRO 36 CO 0.60 0.16 0.00 -2.67 -0.21 0.00 0.00 178.00 175.87 1hac n TRP 37 N -5.11 0.70 0.43 0.65 2.14 -1.26 0.01 117.44 115.00 1hac n TRP 37 Ca 0.33 0.36 0.13 0.00 2.07 0.00 0.00 57.50 60.39 1hac n TRP 37 Cb 1.04 -1.08 0.47 0.00 -0.81 0.00 0.00 31.31 30.93 1hac n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1hac h THR 38 N 0.00 0.00 0.00 -1.67 1.35 -1.48 -2.98 112.91 108.14 1hac h THR 38 Ca 0.00 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1hac h THR 38 Cb 0.01 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1hac h THR 38 CO 0.00 0.00 -0.03 1.56 -0.25 0.00 0.00 175.52 176.80 1hac h GLN 39 N 0.00 0.00 -0.79 4.72 4.20 -0.59 -2.03 115.11 120.62 1hac h GLN 39 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1hac h GLN 39 Cb 0.55 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.22 1hac h GLN 39 CO 0.00 0.03 0.30 -0.09 -0.67 0.00 0.00 178.83 178.39 1hac h ARG 40 N 0.00 0.38 0.00 1.46 2.43 -1.70 0.36 114.38 117.31 1hac h ARG 40 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1hac h ARG 40 Cb 0.08 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1hac h ARG 40 CO 0.00 0.25 0.00 1.19 -1.51 0.00 0.00 179.97 179.91 1hac n PHE 41 N -5.05 0.34 -2.09 2.20 3.72 -0.76 -3.55 117.46 112.27 1hac n PHE 41 Ca 0.16 0.14 0.02 0.00 -0.05 0.00 0.00 57.45 57.72 1hac n PHE 41 Cb 0.49 -0.72 0.10 0.00 -0.94 0.00 0.00 39.48 38.41 1hac n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1hac n PHE 42 N -1.82 0.38 -0.30 1.38 3.72 0.12 -4.82 117.46 116.12 1hac n PHE 42 Ca 0.03 -1.24 0.02 0.00 -0.05 0.00 0.00 57.45 56.20 1hac n PHE 42 Cb 0.19 -0.22 0.15 0.00 -0.94 0.00 0.00 39.48 38.66 1hac n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1hac h GLU 43 N 1.25 0.86 0.00 -1.08 5.08 -1.54 -1.19 114.58 117.96 1hac h GLU 43 Ca -0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1hac h GLU 43 Cb 1.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1hac h GLU 43 CO 0.13 0.57 0.00 -1.13 -1.00 0.00 0.00 179.01 177.57 1hac n SER 44 N -4.68 0.00 0.24 1.42 3.41 -1.26 -3.60 113.62 109.15 1hac n SER 44 Ca 0.13 0.46 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1hac n SER 44 Cb 0.23 -0.47 0.62 0.00 -0.26 0.00 0.00 64.21 64.32 1hac n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1hac h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.61 -3.49 116.94 118.17 1hac h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1hac h PHE 45 Cb 0.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1hac h PHE 45 CO 0.00 0.18 0.00 0.41 -1.61 0.00 0.00 178.31 177.29 1hac n GLY 46 N -0.46 0.10 3.61 -1.45 0.00 -1.24 -4.62 105.19 101.14 1hac n GLY 46 Ca -0.01 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1hac n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hac s ASP 47 N -4.00 6.38 0.00 1.61 2.15 -1.26 -4.87 116.67 116.68 1hac s ASP 47 Ca 0.00 0.45 0.06 0.00 0.43 0.00 0.00 52.55 53.50 1hac s ASP 47 Cb 0.00 -2.26 0.15 0.00 -0.30 0.00 0.00 42.92 40.51 1hac s ASP 47 CO 0.00 -0.26 1.06 0.18 -0.17 0.00 0.00 175.17 175.98 1hac n LEU 48 N 5.48 2.34 -0.33 -1.34 4.77 -1.26 -3.85 117.00 122.80 1hac n LEU 48 Ca -0.05 -1.79 0.13 0.00 -0.03 0.00 0.00 56.01 54.26 1hac n LEU 48 Cb 0.50 -0.11 0.25 0.00 -2.33 0.00 0.00 43.42 41.73 1hac n LEU 48 CO 0.39 0.57 0.73 -1.20 -1.33 0.00 0.00 177.39 176.56 1hac n SER 49 N 0.16 -0.16 -4.14 -1.43 7.64 -1.26 -4.58 113.62 109.85 1hac n SER 49 Ca 0.06 1.62 -0.22 0.00 1.01 0.00 0.00 58.87 61.35 1hac n SER 49 Cb 0.31 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 1hac n SER 49 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hac s THR 50 N -5.99 0.60 0.08 0.44 -4.23 -1.26 -4.98 115.64 100.29 1hac s THR 50 Ca -0.13 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 1hac s THR 50 Cb 0.28 -2.51 -0.17 0.00 1.34 0.00 0.00 72.50 71.43 1hac s THR 50 CO 0.74 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.83 1hac h PRO 51 N 2.04 -0.54 -0.76 3.99 0.11 -1.98 0.22 132.00 135.07 1hac h PRO 51 Ca -0.36 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1hac h PRO 51 Cb 1.26 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 1hac h PRO 51 CO 0.57 -0.36 0.43 -0.44 -0.21 0.00 0.00 178.00 178.00 1hac h ASP 52 N -0.57 0.94 -0.18 -2.05 5.19 -1.96 1.38 116.42 119.17 1hac h ASP 52 Ca -0.06 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1hac h ASP 52 Cb 0.44 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1hac h ASP 52 CO 0.09 0.75 0.11 0.00 -3.12 0.00 0.00 179.24 177.07 1hac h ALA 53 N 1.41 0.23 0.60 3.45 0.00 -1.74 -0.03 119.26 123.18 1hac h ALA 53 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1hac h ALA 53 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hac h ALA 53 CO -0.05 -0.27 -0.29 0.28 0.00 0.00 0.00 179.25 178.93 1hac h VAL 54 N 0.22 0.00 -0.59 0.00 2.07 0.09 -0.13 116.25 117.92 1hac h VAL 54 Ca 0.07 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.40 1hac h VAL 54 Cb 0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1hac h VAL 54 CO -0.01 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.45 1hac h MET 55 N -1.15 0.00 0.00 1.57 2.07 0.18 -1.31 114.93 116.29 1hac h MET 55 Ca -0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1hac h MET 55 Cb 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1hac h MET 55 CO 0.13 0.00 -1.76 0.41 1.07 0.00 0.00 176.91 176.77 1hac n GLY 56 N -1.55 -1.04 3.68 8.32 0.00 -0.03 -4.90 105.19 109.66 1hac n GLY 56 Ca 0.12 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 1hac n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hac n ASN 57 N -2.17 3.80 0.25 1.61 2.85 -0.08 -4.90 115.26 116.63 1hac n ASN 57 Ca -0.02 0.98 0.10 0.00 -0.11 0.00 0.00 54.58 55.52 1hac n ASN 57 Cb 0.53 -1.48 0.66 0.00 1.24 0.00 0.00 39.78 40.73 1hac n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1hac h PRO 58 N 8.88 0.00 0.00 1.20 0.13 -1.90 -1.48 132.00 138.82 1hac h PRO 58 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1hac h PRO 58 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1hac h PRO 58 CO 0.94 0.10 -0.61 0.87 -0.23 0.00 0.00 178.00 179.07 1hac h LYS 59 N 0.00 0.00 -0.01 0.86 1.79 -1.91 -0.12 116.57 117.18 1hac h LYS 59 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1hac h LYS 59 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1hac h LYS 59 CO 0.01 0.61 -0.11 0.28 -1.08 0.00 0.00 179.45 179.17 1hac h VAL 60 N 0.00 1.53 0.00 0.50 2.07 -1.65 -2.56 116.25 116.14 1hac h VAL 60 Ca -0.01 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 1hac h VAL 60 Cb 1.19 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1hac h VAL 60 CO 0.08 0.46 -0.22 0.50 0.02 0.00 0.00 177.57 178.41 1hac h LYS 61 N -0.55 0.00 -0.01 1.57 3.64 -1.20 0.56 116.57 120.57 1hac h LYS 61 Ca -0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1hac h LYS 61 Cb 0.80 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1hac h LYS 61 CO 0.02 0.22 -0.79 0.00 -2.27 0.00 0.00 179.45 176.63 1hac h ALA 62 N 1.78 0.12 0.00 5.00 0.00 -1.00 -2.90 119.26 122.26 1hac h ALA 62 Ca -0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1hac h ALA 62 Cb 0.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1hac h ALA 62 CO 0.03 0.51 -0.50 1.25 0.00 0.00 0.00 179.25 180.55 1hac h HIS 63 N 0.16 0.00 -0.29 0.00 -0.00 -1.31 -1.54 115.15 112.18 1hac h HIS 63 Ca -0.10 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.32 1hac h HIS 63 Cb 1.47 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.87 1hac h HIS 63 CO 0.12 0.50 0.20 0.78 -0.00 0.00 0.00 177.93 179.53 1hac h GLY 64 N 1.78 0.20 0.65 5.26 0.00 -0.76 -0.18 103.07 110.03 1hac h GLY 64 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1hac h GLY 64 CO 0.06 0.05 -0.04 0.50 0.00 0.00 0.00 176.54 177.12 1hac h LYS 65 N 0.17 -0.12 -0.75 4.80 1.57 -1.08 -2.74 116.57 118.42 1hac h LYS 65 Ca 0.13 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1hac h LYS 65 Cb 0.29 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 1hac h LYS 65 CO -0.02 0.22 0.33 0.87 -0.57 0.00 0.00 179.45 180.29 1hac h LYS 66 N -0.47 0.50 -0.51 3.15 6.56 -0.96 -0.83 116.57 124.01 1hac h LYS 66 Ca -0.01 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1hac h LYS 66 Cb 0.39 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 1hac h LYS 66 CO 0.02 0.33 0.16 0.28 -2.06 0.00 0.00 179.45 178.18 1hac h VAL 67 N 0.51 1.23 -0.50 0.50 2.07 -1.37 -1.71 116.25 116.98 1hac h VAL 67 Ca 0.40 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1hac h VAL 67 Cb 0.55 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1hac h VAL 67 CO -0.35 0.28 0.08 0.25 0.02 0.00 0.00 177.57 177.85 1hac h LEU 68 N 0.69 0.73 -0.63 2.57 7.12 -1.13 -1.61 115.31 123.05 1hac h LEU 68 Ca 0.16 -0.14 0.01 0.00 0.13 0.00 0.00 57.88 58.05 1hac h LEU 68 Cb 0.27 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 1hac h LEU 68 CO -0.01 0.75 0.41 1.23 -0.13 0.00 0.00 178.44 180.69 1hac h GLY 69 N 0.95 0.90 0.65 3.75 0.00 -0.57 -0.67 103.07 108.08 1hac h GLY 69 Ca 0.16 -0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.25 1hac h GLY 69 CO 0.00 0.30 0.63 0.00 0.00 0.00 0.00 176.54 177.47 1hac h ALA 70 N 1.25 1.40 -0.53 3.60 0.00 -0.43 -1.77 119.26 122.78 1hac h ALA 70 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1hac h ALA 70 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1hac h ALA 70 CO -0.07 0.36 0.19 0.74 0.00 0.00 0.00 179.25 180.47 1hac h PHE 71 N 1.10 0.78 -0.59 0.00 0.04 -0.60 -2.67 116.94 114.98 1hac h PHE 71 Ca 0.45 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 61.09 1hac h PHE 71 Cb 0.26 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1hac h PHE 71 CO -0.01 0.62 0.05 0.77 -0.60 0.00 0.00 178.31 179.14 1hac h SER 72 N 0.76 0.98 -0.15 2.17 0.02 -0.41 -1.76 113.55 115.16 1hac h SER 72 Ca 0.18 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1hac h SER 72 Cb 0.18 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1hac h SER 72 CO -0.01 1.02 0.08 0.44 -1.14 0.00 0.00 176.83 177.22 1hac h ASP 73 N 0.91 0.13 -0.76 3.07 5.19 -1.26 -1.74 116.42 121.96 1hac h ASP 73 Ca 0.17 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.71 1hac h ASP 73 Cb 0.49 -0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.89 1hac h ASP 73 CO 0.02 0.10 0.36 1.23 -3.12 0.00 0.00 179.24 177.83 1hac h GLY 74 N 0.17 1.17 1.15 2.75 0.00 -1.27 0.20 103.07 107.25 1hac h GLY 74 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 1hac h GLY 74 CO -0.03 -0.00 0.15 1.41 0.00 0.00 0.00 176.54 178.06 1hac h LEU 75 N 0.57 0.99 -0.41 3.11 -0.00 -0.91 0.68 115.31 119.35 1hac h LEU 75 Ca 0.40 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1hac h LEU 75 Cb 0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1hac h LEU 75 CO -0.33 0.96 0.00 0.00 -0.00 0.00 0.00 178.44 179.07 1hac n ALA 76 N -2.46 1.83 -3.01 1.53 0.00 -0.26 -3.75 120.51 114.38 1hac n ALA 76 Ca 0.05 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.31 1hac n ALA 76 Cb 0.26 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 1hac n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hac n HIS 77 N -2.08 1.76 0.64 0.00 8.25 0.17 -4.93 115.22 119.03 1hac n HIS 77 Ca 0.03 -3.74 0.00 0.00 -0.26 0.00 0.00 57.72 53.75 1hac n HIS 77 Cb 0.27 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1hac n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hac n LEU 78 N 0.03 1.65 0.01 2.41 4.77 -0.84 -3.22 117.00 121.81 1hac n LEU 78 Ca 0.26 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1hac n LEU 78 Cb 0.59 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1hac n LEU 78 CO 0.27 0.29 0.00 0.47 -1.33 0.00 0.00 177.39 177.08 1hac n ASP 79 N 0.57 0.05 -3.08 -1.43 8.00 -1.26 -2.77 116.55 116.63 1hac n ASP 79 Ca 0.00 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.19 1hac n ASP 79 Cb 0.29 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1hac n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hac n ASN 80 N -2.60 7.87 0.23 -2.24 5.15 -1.20 -4.34 115.26 118.13 1hac n ASN 80 Ca 0.00 -2.74 -0.15 0.00 -0.60 0.00 0.00 54.58 51.09 1hac n ASN 80 Cb 0.00 -1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 37.70 1hac n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1hac h LEU 81 N 6.11 -0.48 -0.46 1.20 4.07 -1.89 1.61 115.31 125.48 1hac h LEU 81 Ca 0.69 -0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.69 1hac h LEU 81 Cb 0.52 0.12 -0.10 0.00 1.08 0.00 0.00 40.66 42.29 1hac h LEU 81 CO 1.39 -0.25 -0.37 0.11 -1.08 0.00 0.00 178.44 178.24 1hac h LYS 82 N -0.67 -0.25 -0.31 1.13 1.57 -1.91 0.49 116.57 116.62 1hac h LYS 82 Ca -0.06 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1hac h LYS 82 Cb 0.49 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 1hac h LYS 82 CO 0.09 -0.17 0.09 0.78 -0.57 0.00 0.00 179.45 179.68 1hac h GLY 83 N -0.26 0.38 0.75 3.86 0.00 -1.84 -1.34 103.07 104.62 1hac h GLY 83 Ca 0.17 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1hac h GLY 83 CO -0.59 0.02 0.48 -0.84 0.00 0.00 0.00 176.54 175.61 1hac h THR 84 N 0.22 1.04 -0.46 4.70 2.02 0.65 -3.08 112.91 118.00 1hac h THR 84 Ca 0.14 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1hac h THR 84 Cb 0.12 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1hac h THR 84 CO -0.16 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.39 1hac n PHE 85 N -4.66 0.60 -0.28 3.16 3.72 0.13 -4.68 117.46 115.45 1hac n PHE 85 Ca 0.11 -0.30 -0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1hac n PHE 85 Cb 0.16 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.73 1hac n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hac h ALA 86 N 4.49 0.15 -0.72 4.37 0.00 -1.16 0.04 119.26 126.44 1hac h ALA 86 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1hac h ALA 86 Cb 0.99 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1hac h ALA 86 CO 0.00 -0.60 0.38 1.79 0.00 0.00 0.00 179.25 180.82 1hac h THR 87 N -0.08 1.23 -0.40 0.00 1.35 -1.85 -2.62 112.91 110.54 1hac h THR 87 Ca 0.30 -0.59 -0.06 0.00 -0.55 0.00 0.00 66.41 65.51 1hac h THR 87 Cb 0.58 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 1hac h THR 87 CO -0.82 0.25 0.01 -0.07 -0.25 0.00 0.00 175.52 174.65 1hac h LEU 88 N 0.99 0.68 -1.88 3.87 -0.00 -1.70 -1.86 115.31 115.40 1hac h LEU 88 Ca 0.25 -0.30 0.23 0.00 -0.00 0.00 0.00 57.88 58.06 1hac h LEU 88 Cb 0.07 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.50 1hac h LEU 88 CO -0.04 0.81 0.60 -1.28 -0.00 0.00 0.00 178.44 178.54 1hac h SER 89 N 0.52 0.10 0.01 -0.43 0.87 -0.79 0.40 113.55 114.23 1hac h SER 89 Ca 0.11 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1hac h SER 89 Cb 0.46 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1hac h SER 89 CO 0.02 0.04 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.02 1hac h GLU 90 N 0.10 -0.01 -0.03 2.24 5.08 -0.99 -0.81 114.58 120.16 1hac h GLU 90 Ca 0.42 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1hac h GLU 90 Cb 1.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.70 1hac h GLU 90 CO -0.05 0.71 -0.32 1.25 -1.00 0.00 0.00 179.01 179.60 1hac h LEU 91 N -0.74 -0.97 -0.75 1.33 5.85 -0.47 -0.81 115.31 118.75 1hac h LEU 91 Ca -0.00 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1hac h LEU 91 Cb 0.72 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1hac h LEU 91 CO 0.00 -0.38 0.49 0.45 -0.34 0.00 0.00 178.44 178.66 1hac h HIS 92 N -0.46 0.92 0.00 1.25 3.86 -0.38 0.23 115.15 120.57 1hac h HIS 92 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1hac h HIS 92 Cb 0.56 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1hac h HIS 92 CO -0.36 0.56 -0.44 0.00 0.86 0.00 0.00 177.93 178.56 1hac h ASP 94 N -0.83 0.72 0.03 0.00 3.32 -1.31 -2.34 116.42 116.02 1hac h ASP 94 Ca 0.00 -0.16 -0.38 0.00 0.02 0.00 0.00 57.03 56.51 1hac h ASP 94 Cb 0.44 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1hac h ASP 94 CO 0.00 0.68 -2.23 2.29 -1.72 0.00 0.00 179.24 178.27 1hac n LYS 95 N -4.54 0.65 0.11 3.56 0.00 -0.85 -4.57 118.16 112.52 1hac n LYS 95 Ca 0.02 0.26 0.12 0.00 -0.00 0.00 0.00 58.31 58.71 1hac n LYS 95 Cb 0.15 -1.59 0.08 0.00 -0.00 0.00 0.00 35.03 33.67 1hac n LYS 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1hac h LEU 96 N -0.39 0.00 -1.41 -5.58 3.38 -0.65 -3.48 115.31 107.17 1hac h LEU 96 Ca -0.55 -0.06 -0.52 0.00 0.09 0.00 0.00 57.88 56.85 1hac h LEU 96 Cb 1.77 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.41 1hac h LEU 96 CO -0.16 0.03 -0.84 1.41 0.09 0.00 0.00 178.44 178.97 1hac n HIS 97 N -2.58 -1.80 -2.56 1.13 8.25 -0.88 -4.95 115.22 111.83 1hac n HIS 97 Ca 0.02 0.80 -0.41 0.00 -0.26 0.00 0.00 57.72 57.87 1hac n HIS 97 Cb 0.51 -3.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.12 1hac n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hac s VAL 98 N -3.56 3.84 0.21 1.59 1.01 -0.99 -5.00 120.40 117.49 1hac s VAL 98 Ca 0.42 1.70 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 1hac s VAL 98 Cb -0.23 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1hac s VAL 98 CO 0.89 0.34 1.13 -0.62 0.00 0.00 0.00 175.10 176.85 1hac s ASP 99 N -0.52 7.21 0.56 3.32 2.15 -1.26 -4.82 116.67 123.32 1hac s ASP 99 Ca 0.46 2.18 0.29 0.00 0.43 0.00 0.00 52.55 55.91 1hac s ASP 99 Cb -0.29 -2.61 1.47 0.00 -0.30 0.00 0.00 42.92 41.19 1hac s ASP 99 CO 0.36 -0.24 1.91 -0.65 -0.17 0.00 0.00 175.17 176.38 1hac h PRO 100 N 4.79 0.00 -0.33 4.34 0.11 -1.97 0.98 132.00 139.91 1hac h PRO 100 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1hac h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1hac h PRO 100 CO 0.71 0.00 0.23 0.93 -0.21 0.00 0.00 178.00 179.66 1hac h GLU 101 N 0.00 0.22 0.00 1.05 4.39 -2.00 -0.98 114.58 117.26 1hac h GLU 101 Ca 0.28 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1hac h GLU 101 Cb 1.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1hac h GLU 101 CO -0.00 0.14 0.00 -0.91 -1.16 0.00 0.00 179.01 177.08 1hac h ASN 102 N 0.22 0.00 0.84 1.42 4.21 0.64 -2.37 115.58 120.55 1hac h ASN 102 Ca 0.15 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.45 1hac h ASN 102 Cb 0.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 1hac h ASN 102 CO -0.03 0.00 -0.95 -0.26 -1.29 0.00 0.00 177.43 174.90 1hac h PHE 103 N 0.00 0.10 -0.42 1.19 0.04 -1.30 -1.41 116.94 115.15 1hac h PHE 103 Ca 0.00 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.56 1hac h PHE 103 Cb 0.33 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1hac h PHE 103 CO 0.00 0.97 -0.32 0.00 -0.60 0.00 0.00 178.31 178.36 1hac h ARG 104 N 0.03 0.96 -0.99 1.51 3.08 -1.47 -1.99 114.38 115.51 1hac h ARG 104 Ca -0.03 -0.47 0.01 0.00 0.07 0.00 0.00 59.98 59.57 1hac h ARG 104 Cb 1.65 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.65 1hac h ARG 104 CO 0.13 1.13 0.66 -0.07 -1.07 0.00 0.00 179.97 180.75 1hac h LEU 105 N 0.80 1.13 0.05 3.04 3.38 -1.47 -2.86 115.31 119.37 1hac h LEU 105 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hac h LEU 105 Cb 0.91 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1hac h LEU 105 CO 0.08 0.81 -0.02 0.25 0.09 0.00 0.00 178.44 179.65 1hac h LEU 106 N 1.33 -0.06 -2.57 1.67 5.85 -0.98 -2.19 115.31 118.36 1hac h LEU 106 Ca 0.37 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1hac h LEU 106 Cb -0.13 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1hac h LEU 106 CO -0.09 0.38 0.08 1.23 -0.34 0.00 0.00 178.44 179.70 1hac h GLY 107 N -0.51 0.00 1.31 3.75 0.00 -1.38 -1.40 103.07 104.83 1hac h GLY 107 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1hac h GLY 107 CO 0.01 0.00 -1.45 3.43 0.00 0.00 0.00 176.54 178.54 1hac h ASN 108 N 0.00 0.00 0.37 0.19 -0.26 -1.34 -3.02 115.58 111.52 1hac h ASN 108 Ca 0.02 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.50 1hac h ASN 108 Cb 0.18 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.46 1hac h ASN 108 CO -0.00 0.96 -1.11 -0.37 -1.06 0.00 0.00 177.43 175.84 1hac h VAL 109 N 0.00 1.40 0.00 2.81 -1.51 -0.64 -1.91 116.25 116.40 1hac h VAL 109 Ca -0.19 -2.64 -0.04 0.00 -1.23 0.00 0.00 66.70 62.61 1hac h VAL 109 Cb 1.90 2.65 -0.01 0.00 -2.13 0.00 0.00 31.29 33.70 1hac h VAL 109 CO 0.09 0.78 -0.17 0.25 -1.23 0.00 0.00 177.57 177.30 1hac h LEU 110 N 0.19 0.00 0.14 4.19 5.85 -1.45 -1.23 115.31 123.00 1hac h LEU 110 Ca -0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1hac h LEU 110 Cb 1.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1hac h LEU 110 CO 0.20 0.17 -0.07 0.58 -0.34 0.00 0.00 178.44 178.98 1hac h VAL 111 N 0.00 1.00 -0.32 1.05 2.07 -1.54 1.04 116.25 119.55 1hac h VAL 111 Ca -0.00 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.51 1hac h VAL 111 Cb 0.31 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1hac h VAL 111 CO 0.02 0.23 -0.34 0.00 0.02 0.00 0.00 177.57 177.51 1hac h VAL 113 N -0.31 0.00 -0.68 0.00 2.07 -1.02 0.83 116.25 117.14 1hac h VAL 113 Ca 0.14 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.81 1hac h VAL 113 Cb 0.55 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.21 1hac h VAL 113 CO -0.49 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.09 1hac h LEU 114 N -0.35 -0.21 -0.87 2.57 3.38 0.17 0.83 115.31 120.85 1hac h LEU 114 Ca 0.03 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1hac h LEU 114 Cb 0.43 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1hac h LEU 114 CO -0.31 -0.11 0.54 0.00 0.09 0.00 0.00 178.44 178.64 1hac h ALA 115 N 1.61 1.20 -0.79 1.53 0.00 0.64 -1.75 119.26 121.70 1hac h ALA 115 Ca 0.37 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1hac h ALA 115 Cb 0.63 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1hac h ALA 115 CO -0.55 0.27 0.47 1.25 0.00 0.00 0.00 179.25 180.68 1hac h HIS 116 N 0.97 0.85 0.08 0.00 -0.00 0.76 -2.54 115.15 115.27 1hac h HIS 116 Ca 0.38 0.03 -0.23 0.00 -0.00 0.00 0.00 60.37 60.54 1hac h HIS 116 Cb 0.19 -0.27 0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1hac h HIS 116 CO -0.03 0.40 -0.97 0.45 -0.00 0.00 0.00 177.93 177.78 1hac h HIS 117 N 0.82 0.81 -0.00 5.26 -0.00 -0.39 -3.38 115.15 118.29 1hac h HIS 117 Ca 0.36 -0.50 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1hac h HIS 117 Cb 0.25 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 1hac h HIS 117 CO -0.06 1.35 -0.43 1.19 -0.00 0.00 0.00 177.93 179.98 1hac n PHE 118 N -3.98 0.00 -2.26 2.45 3.72 -0.73 -5.04 117.46 111.62 1hac n PHE 118 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1hac n PHE 118 Cb 0.86 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1hac n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hac n GLY 119 N 1.48 1.18 0.56 1.37 0.00 -0.97 -2.19 105.19 106.63 1hac n GLY 119 Ca 0.06 -0.53 0.45 0.00 0.00 0.00 0.00 46.02 46.00 1hac n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1hac n LYS 120 N 3.13 -0.02 0.31 1.61 2.85 -1.26 0.17 118.16 124.96 1hac n LYS 120 Ca 0.00 1.17 0.20 0.00 -1.05 0.00 0.00 58.31 58.63 1hac n LYS 120 Cb 0.00 -2.46 1.06 0.00 -0.65 0.00 0.00 35.03 32.98 1hac n LYS 120 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1hac h GLU 121 N 0.00 0.00 -3.17 -1.58 5.08 -1.85 -3.21 114.58 109.85 1hac h GLU 121 Ca 0.90 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 58.47 1hac h GLU 121 Cb 3.18 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 32.21 1hac h GLU 121 CO -0.28 0.00 1.35 0.34 -1.00 0.00 0.00 179.01 179.42 1hac n PHE 122 N -3.34 2.52 -0.57 4.33 7.35 0.13 -4.95 117.46 122.94 1hac n PHE 122 Ca -0.02 -2.66 -0.30 0.00 -0.76 0.00 0.00 57.45 53.71 1hac n PHE 122 Cb 0.14 -1.56 0.27 0.00 0.35 0.00 0.00 39.48 38.67 1hac n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1hac s THR 123 N -1.39 1.48 0.21 -2.13 -4.23 -1.21 -4.67 115.64 103.68 1hac s THR 123 Ca 0.35 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.78 1hac s THR 123 Cb 0.07 -2.16 0.13 0.00 1.34 0.00 0.00 72.50 71.88 1hac s THR 123 CO 0.06 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.22 1hac h PRO 124 N -3.06 1.15 -0.67 3.99 0.11 -1.94 0.07 132.00 131.65 1hac h PRO 124 Ca -0.48 -0.26 -0.08 0.00 0.11 0.00 0.00 66.00 65.28 1hac h PRO 124 Cb 1.33 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1hac h PRO 124 CO 0.35 0.99 0.11 -1.35 -0.21 0.00 0.00 178.00 177.89 1hac h PRO 125 N 1.09 1.11 -0.39 1.05 0.11 -1.99 -0.69 132.00 132.29 1hac h PRO 125 Ca 0.23 -0.30 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1hac h PRO 125 Cb 0.35 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1hac h PRO 125 CO -0.00 1.01 0.25 0.28 -0.21 0.00 0.00 178.00 179.34 1hac h VAL 126 N 1.03 1.11 -0.24 3.15 2.07 -1.74 -2.21 116.25 119.42 1hac h VAL 126 Ca 0.20 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1hac h VAL 126 Cb 0.45 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1hac h VAL 126 CO 0.01 0.10 -0.07 -0.61 0.02 0.00 0.00 177.57 177.03 1hac h GLN 127 N 0.52 -0.01 -0.95 1.57 4.15 -0.20 -1.16 115.11 119.04 1hac h GLN 127 Ca 0.14 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.67 1hac h GLN 127 Cb -0.05 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.56 1hac h GLN 127 CO -0.03 -0.01 0.58 0.00 -1.93 0.00 0.00 178.83 177.44 1hac h ALA 128 N 1.22 1.39 -0.71 3.38 0.00 -1.00 0.94 119.26 124.48 1hac h ALA 128 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1hac h ALA 128 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1hac h ALA 128 CO -0.25 0.21 0.20 0.00 0.00 0.00 0.00 179.25 179.41 1hac h ALA 129 N 1.50 0.93 -0.41 0.00 0.00 -0.74 -1.43 119.26 119.12 1hac h ALA 129 Ca 0.46 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1hac h ALA 129 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hac h ALA 129 CO -0.25 0.64 -0.31 1.88 0.00 0.00 0.00 179.25 181.21 1hac h TYR 130 N 1.06 1.06 -0.52 0.00 0.05 0.35 -1.78 116.97 117.18 1hac h TYR 130 Ca 0.23 -0.28 0.08 0.00 0.05 0.00 0.00 58.73 58.80 1hac h TYR 130 Cb 0.34 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 37.78 1hac h TYR 130 CO 0.03 1.09 0.16 1.96 -1.05 0.00 0.00 178.16 180.34 1hac h GLN 131 N 0.76 0.31 0.09 4.88 1.08 0.10 0.24 115.11 122.57 1hac h GLN 131 Ca 0.08 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1hac h GLN 131 Cb 0.88 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 1hac h GLN 131 CO 0.08 0.20 -0.37 0.87 -0.95 0.00 0.00 178.83 178.66 1hac h LYS 132 N 0.31 -0.56 0.22 1.46 1.57 -0.98 -0.70 116.57 117.89 1hac h LYS 132 Ca 0.26 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1hac h LYS 132 Cb 0.32 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1hac h LYS 132 CO -0.29 -0.38 -0.41 0.28 -0.57 0.00 0.00 179.45 178.08 1hac h VAL 133 N -0.58 0.00 -0.87 0.50 2.07 -0.05 -0.23 116.25 117.08 1hac h VAL 133 Ca 0.03 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.78 1hac h VAL 133 Cb 0.63 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.26 1hac h VAL 133 CO -0.23 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.19 1hac h VAL 134 N -0.68 0.34 -0.04 2.57 2.07 -0.52 0.31 116.25 120.30 1hac h VAL 134 Ca -0.02 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1hac h VAL 134 Cb 0.63 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1hac h VAL 134 CO -0.15 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.48 1hac h ALA 135 N 1.77 0.06 -0.74 1.67 0.00 -0.63 -0.29 119.26 121.09 1hac h ALA 135 Ca 0.55 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1hac h ALA 135 Cb 1.09 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1hac h ALA 135 CO -0.63 -0.31 0.37 0.78 0.00 0.00 0.00 179.25 179.46 1hac h GLY 136 N -0.18 1.12 0.91 0.00 0.00 0.90 0.17 103.07 106.00 1hac h GLY 136 Ca 0.01 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1hac h GLY 136 CO 0.00 0.04 0.56 -2.08 0.00 0.00 0.00 176.54 175.06 1hac h VAL 137 N 0.61 1.06 -0.19 4.60 2.07 0.02 0.69 116.25 125.12 1hac h VAL 137 Ca 0.37 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1hac h VAL 137 Cb 0.42 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1hac h VAL 137 CO -0.29 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.46 1hac h ALA 138 N 1.53 0.26 -0.60 1.67 0.00 0.11 0.46 119.26 122.68 1hac h ALA 138 Ca 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1hac h ALA 138 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1hac h ALA 138 CO -0.13 -0.00 0.22 -0.91 0.00 0.00 0.00 179.25 178.42 1hac h ASN 139 N 0.08 0.85 -0.04 0.00 2.35 -0.90 -0.50 115.58 117.42 1hac h ASN 139 Ca 0.05 -0.19 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1hac h ASN 139 Cb 0.43 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1hac h ASN 139 CO 0.01 0.81 -0.18 0.00 -1.65 0.00 0.00 177.43 176.42 1hac h ALA 140 N 1.08 -0.20 -0.42 -0.83 0.00 -0.70 -1.53 119.26 116.66 1hac h ALA 140 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1hac h ALA 140 Cb 0.24 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1hac h ALA 140 CO -0.01 -0.67 0.21 -0.07 0.00 0.00 0.00 179.25 178.71 1hac h LEU 141 N -0.28 0.51 -1.77 0.00 3.38 0.59 -3.21 115.31 114.53 1hac h LEU 141 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1hac h LEU 141 Cb 0.37 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1hac h LEU 141 CO -0.20 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1hac n ALA 142 N -2.47 2.43 -0.25 1.53 0.00 -0.26 -4.29 120.51 117.20 1hac n ALA 142 Ca 0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 53.44 52.58 1hac n ALA 142 Cb 0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1hac n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1hac n HIS 143 N 0.91 -0.19 0.39 0.00 -0.00 -0.66 -1.75 115.22 113.93 1hac n HIS 143 Ca 0.16 0.76 0.05 0.00 -0.00 0.00 0.00 57.72 58.69 1hac n HIS 143 Cb 0.41 -0.60 0.22 0.00 -0.00 0.00 0.00 29.99 30.02 1hac n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1hac n LYS 144 N -4.81 0.07 0.03 1.57 4.76 -1.26 -0.00 118.16 118.51 1hac n LYS 144 Ca 0.03 0.27 0.06 0.00 -2.87 0.00 0.00 58.31 55.80 1hac n LYS 144 Cb 0.18 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.78 1hac n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1hac n TYR 145 N -1.40 0.55 1.57 2.13 4.01 -0.72 -4.91 117.16 118.40 1hac n TYR 145 Ca 0.03 0.17 0.14 0.00 -0.16 0.00 0.00 57.90 58.09 1hac n TYR 145 Cb 0.10 -0.84 0.58 0.00 -0.31 0.00 0.00 39.34 38.87 1hac n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12