#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hhb s HIS 2 N 0.00 0.19 -0.05 6.34 5.65 -1.26 -4.85 115.29 121.31 2hhb s HIS 2 Ca 0.00 -1.24 0.01 0.00 0.25 0.00 0.00 55.06 54.08 2hhb s HIS 2 Cb 0.00 -0.64 -0.03 0.00 -1.18 0.00 0.00 32.58 30.73 2hhb s HIS 2 CO 0.00 -0.91 -0.06 -0.51 -0.65 0.00 0.00 174.74 172.61 2hhb s LEU 3 N 1.21 3.19 0.80 8.88 1.43 -1.26 -5.10 118.68 127.82 2hhb s LEU 3 Ca 0.18 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 2hhb s LEU 3 Cb -0.18 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.39 2hhb s LEU 3 CO -0.01 0.34 1.11 0.42 0.23 0.00 0.00 176.35 178.44 2hhb s THR 4 N -0.86 3.02 0.51 5.49 -4.23 -1.26 -4.76 115.64 113.55 2hhb s THR 4 Ca 0.14 0.33 0.23 0.00 -1.18 0.00 0.00 61.69 61.21 2hhb s THR 4 Cb -0.11 -2.71 0.29 0.00 1.34 0.00 0.00 72.50 71.31 2hhb s THR 4 CO 0.03 -0.43 2.14 1.55 -0.54 0.00 0.00 174.62 177.37 2hhb h PRO 5 N -1.29 0.00 -0.14 3.99 0.13 -1.99 0.68 132.00 133.37 2hhb h PRO 5 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 2hhb h PRO 5 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2hhb h PRO 5 CO 0.49 0.06 -0.61 1.05 -0.23 0.00 0.00 178.00 178.77 2hhb h GLU 6 N 0.00 0.49 -0.13 0.86 9.09 -1.99 -0.46 114.58 122.44 2hhb h GLU 6 Ca -0.00 -0.34 -0.08 0.00 0.05 0.00 0.00 59.36 59.00 2hhb h GLU 6 Cb 0.14 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2hhb h GLU 6 CO 0.01 0.95 -0.22 0.93 0.05 0.00 0.00 179.01 180.73 2hhb h GLU 7 N 0.37 0.37 -0.39 1.06 5.08 -1.31 -1.62 114.58 118.13 2hhb h GLU 7 Ca -0.01 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2hhb h GLU 7 Cb 1.15 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2hhb h GLU 7 CO 0.11 0.82 0.24 -0.22 -1.00 0.00 0.00 179.01 178.96 2hhb h LYS 8 N -0.04 0.48 -0.08 2.33 3.64 -0.92 -1.71 116.57 120.26 2hhb h LYS 8 Ca 0.01 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2hhb h LYS 8 Cb 0.80 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2hhb h LYS 8 CO 0.05 0.31 -0.32 0.66 -2.27 0.00 0.00 179.45 177.89 2hhb h SER 9 N 0.49 0.15 -0.42 4.20 4.64 -1.06 -1.85 113.55 119.71 2hhb h SER 9 Ca 0.15 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 2hhb h SER 9 Cb -0.02 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2hhb h SER 9 CO -0.06 0.47 -0.17 0.00 -0.87 0.00 0.00 176.83 176.20 2hhb h ALA 10 N 1.55 0.82 -0.16 5.18 0.00 -0.79 -1.16 119.26 124.71 2hhb h ALA 10 Ca 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2hhb h ALA 10 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2hhb h ALA 10 CO 0.05 0.65 0.04 0.28 0.00 0.00 0.00 179.25 180.27 2hhb h VAL 11 N 0.79 1.20 -0.23 0.00 2.07 -0.82 -2.80 116.25 116.47 2hhb h VAL 11 Ca 0.12 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2hhb h VAL 11 Cb 0.71 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2hhb h VAL 11 CO 0.05 0.19 0.13 0.74 0.02 0.00 0.00 177.57 178.70 2hhb h THR 12 N 0.06 1.11 0.14 2.57 2.02 -1.33 -1.32 112.91 116.16 2hhb h THR 12 Ca 0.05 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2hhb h THR 12 Cb 0.26 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2hhb h THR 12 CO 0.00 0.11 -0.08 0.00 0.37 0.00 0.00 175.52 175.91 2hhb h ALA 13 N 1.01 -0.20 -0.41 6.16 0.00 -1.22 -2.26 119.26 122.34 2hhb h ALA 13 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2hhb h ALA 13 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2hhb h ALA 13 CO -0.01 -0.62 -0.00 1.25 0.00 0.00 0.00 179.25 179.86 2hhb h LEU 14 N -0.21 0.63 -1.45 0.00 5.85 -1.44 -2.91 115.31 115.76 2hhb h LEU 14 Ca -0.01 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 2hhb h LEU 14 Cb 0.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2hhb h LEU 14 CO 0.01 0.70 -0.18 -0.25 -0.34 0.00 0.00 178.44 178.38 2hhb h TRP 15 N 0.62 0.00 0.00 1.25 2.91 -0.79 -1.11 115.95 118.84 2hhb h TRP 15 Ca 0.13 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 2hhb h TRP 15 Cb 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 2hhb h TRP 15 CO 0.02 0.18 0.00 0.78 -1.03 0.00 0.00 178.44 178.39 2hhb h GLY 16 N 1.56 0.00 -1.68 2.65 0.00 -1.21 -1.10 103.07 103.30 2hhb h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hhb h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 2hhb n LYS 17 N -2.30 2.21 -3.20 4.80 5.02 -0.42 -4.97 118.16 119.30 2hhb n LYS 17 Ca 0.01 -1.77 -0.39 0.00 -2.02 0.00 0.00 58.31 54.14 2hhb n LYS 17 Cb 0.16 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2hhb n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hhb s VAL 18 N -1.94 5.12 -0.56 -0.18 1.01 -0.42 -5.02 120.40 118.41 2hhb s VAL 18 Ca 0.31 1.17 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 2hhb s VAL 18 Cb 0.20 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2hhb s VAL 18 CO 0.31 0.30 0.96 0.21 0.00 0.00 0.00 175.10 176.88 2hhb s ASN 19 N 0.65 6.33 0.26 3.32 3.84 -1.26 -4.91 114.94 123.17 2hhb s ASN 19 Ca 0.31 -0.36 -0.04 0.00 0.21 0.00 0.00 52.86 52.98 2hhb s ASN 19 Cb -0.16 -2.44 0.32 0.00 -0.55 0.00 0.00 41.25 38.42 2hhb s ASN 19 CO 0.14 -1.26 1.86 0.58 -2.79 0.00 0.00 177.10 175.63 2hhb h VAL 20 N 6.03 1.24 -0.32 -5.21 2.07 -1.95 -0.46 116.25 117.63 2hhb h VAL 20 Ca -0.26 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 2hhb h VAL 20 Cb 1.07 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2hhb h VAL 20 CO 1.10 0.28 -0.05 0.44 0.02 0.00 0.00 177.57 179.36 2hhb h ASP 21 N 1.05 0.61 -0.11 0.57 3.32 -1.91 0.27 116.42 120.22 2hhb h ASP 21 Ca 0.26 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 2hhb h ASP 21 Cb 0.12 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2hhb h ASP 21 CO -0.03 0.81 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.95 2hhb h GLU 22 N 0.39 0.38 -0.49 3.56 4.81 -1.80 -2.09 114.58 119.34 2hhb h GLU 22 Ca 0.08 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2hhb h GLU 22 Cb 0.53 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2hhb h GLU 22 CO 0.03 0.87 0.21 0.28 -0.73 0.00 0.00 179.01 179.67 2hhb h VAL 23 N -0.05 1.18 0.09 0.32 2.07 -1.12 -0.91 116.25 117.83 2hhb h VAL 23 Ca -0.00 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2hhb h VAL 23 Cb 0.88 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2hhb h VAL 23 CO 0.06 0.22 -0.04 1.23 0.02 0.00 0.00 177.57 179.05 2hhb h GLY 24 N 0.83 -0.13 0.84 2.17 0.00 -0.80 -0.01 103.07 105.97 2hhb h GLY 24 Ca 0.17 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.59 2hhb h GLY 24 CO -0.02 -0.05 0.49 -1.33 0.00 0.00 0.00 176.54 175.63 2hhb h GLY 25 N -0.17 1.13 0.94 4.60 0.00 -1.14 -1.43 103.07 107.00 2hhb h GLY 25 Ca -0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2hhb h GLY 25 CO 0.02 0.29 -0.06 -2.09 0.00 0.00 0.00 176.54 174.70 2hhb h GLU 26 N 0.93 0.67 -0.14 4.80 4.81 -0.99 -1.22 114.58 123.44 2hhb h GLU 26 Ca 0.32 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2hhb h GLU 26 Cb 0.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2hhb h GLU 26 CO -0.13 0.82 -0.45 0.00 -0.73 0.00 0.00 179.01 178.53 2hhb h ALA 27 N 0.83 0.25 -0.67 2.92 0.00 -0.86 0.22 119.26 121.94 2hhb h ALA 27 Ca 0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2hhb h ALA 27 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2hhb h ALA 27 CO 0.03 0.39 0.25 1.25 0.00 0.00 0.00 179.25 181.17 2hhb h LEU 28 N 0.19 0.95 -0.49 0.00 5.85 -1.30 0.22 115.31 120.73 2hhb h LEU 28 Ca -0.02 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.37 2hhb h LEU 28 Cb 1.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2hhb h LEU 28 CO 0.10 0.87 -0.36 1.23 -0.34 0.00 0.00 178.44 179.93 2hhb h GLY 29 N 0.96 0.92 1.85 3.75 0.00 -1.10 -2.06 103.07 107.39 2hhb h GLY 29 Ca 0.22 -0.91 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 2hhb h GLY 29 CO -0.02 0.83 -0.38 3.21 0.00 0.00 0.00 176.54 180.18 2hhb h ARG 30 N 0.70 0.17 -0.64 4.80 3.08 -0.80 -0.57 114.38 121.12 2hhb h ARG 30 Ca 0.06 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2hhb h ARG 30 Cb 0.93 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 2hhb h ARG 30 CO 0.09 0.54 0.28 1.25 -1.07 0.00 0.00 179.97 181.06 2hhb h LEU 31 N 0.15 0.33 -0.27 3.04 5.85 -0.60 0.11 115.31 123.92 2hhb h LEU 31 Ca 0.02 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2hhb h LEU 31 Cb 0.75 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2hhb h LEU 31 CO 0.06 0.20 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.11 2hhb h LEU 32 N 0.49 0.00 0.08 2.25 4.07 -0.59 -1.77 115.31 119.86 2hhb h LEU 32 Ca 0.32 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.11 2hhb h LEU 32 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 2hhb h LEU 32 CO -0.28 0.17 -0.85 0.58 -1.08 0.00 0.00 178.44 176.99 2hhb h VAL 33 N 0.00 1.37 0.02 1.22 2.07 -0.68 -3.31 116.25 116.95 2hhb h VAL 33 Ca -0.00 -2.41 -0.22 0.00 0.82 0.00 0.00 66.70 64.88 2hhb h VAL 33 Cb 1.04 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 2hhb h VAL 33 CO 0.02 0.64 -0.96 0.58 0.02 0.00 0.00 177.57 177.88 2hhb h VAL 34 N -0.57 1.46 -2.70 2.57 2.07 -0.80 -3.37 116.25 114.91 2hhb h VAL 34 Ca -0.18 -2.61 -0.61 0.00 0.82 0.00 0.00 66.70 64.12 2hhb h VAL 34 Cb 1.49 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 33.36 2hhb h VAL 34 CO 0.05 0.77 -0.66 -1.22 0.02 0.00 0.00 177.57 176.53 2hhb n TYR 35 N -3.67 2.62 0.28 1.57 4.01 -0.67 -4.98 117.16 116.32 2hhb n TYR 35 Ca -0.06 -4.10 0.17 0.00 -0.16 0.00 0.00 57.90 53.75 2hhb n TYR 35 Cb 0.85 -0.48 0.82 0.00 -0.31 0.00 0.00 39.34 40.22 2hhb n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2hhb h PRO 36 N 5.02 0.00 0.00 -0.72 0.13 -1.74 -1.38 132.00 133.31 2hhb h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2hhb h PRO 36 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2hhb h PRO 36 CO 0.69 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.79 2hhb n TRP 37 N -2.69 0.69 0.47 1.56 2.14 -1.26 -1.70 117.44 116.65 2hhb n TRP 37 Ca -0.01 0.28 0.09 0.00 2.07 0.00 0.00 57.50 59.93 2hhb n TRP 37 Cb 0.12 -0.95 0.40 0.00 -0.81 0.00 0.00 31.31 30.07 2hhb n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2hhb n THR 38 N -2.14 0.89 0.31 -1.67 -2.24 -0.52 -2.27 114.28 106.64 2hhb n THR 38 Ca 0.02 0.22 0.19 0.00 -2.27 0.00 0.00 64.05 62.22 2hhb n THR 38 Cb 0.21 -1.05 0.92 0.00 -2.10 0.00 0.00 70.33 68.31 2hhb n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2hhb h GLN 39 N 0.00 0.00 -0.85 -0.78 4.20 -1.54 -3.29 115.11 112.85 2hhb h GLN 39 Ca 0.00 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.96 2hhb h GLN 39 Cb 0.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2hhb h GLN 39 CO 0.00 0.00 0.70 0.07 -0.67 0.00 0.00 178.83 178.93 2hhb h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.67 -1.66 114.38 112.63 2hhb h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2hhb h ARG 40 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2hhb h ARG 40 CO 0.00 0.00 -0.54 1.19 0.10 0.00 0.00 179.97 180.72 2hhb n PHE 41 N -3.99 0.00 -1.18 4.08 3.01 -1.24 -4.40 117.46 113.73 2hhb n PHE 41 Ca 0.18 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.72 2hhb n PHE 41 Cb 1.00 -0.20 0.12 0.00 -0.01 0.00 0.00 39.48 40.40 2hhb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2hhb n PHE 42 N -1.36 0.00 0.51 1.38 3.01 -0.62 -4.75 117.46 115.63 2hhb n PHE 42 Ca 0.06 -0.89 0.11 0.00 1.01 0.00 0.00 57.45 57.74 2hhb n PHE 42 Cb 0.34 -0.14 0.44 0.00 -0.01 0.00 0.00 39.48 40.11 2hhb n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2hhb n GLU 43 N -1.27 0.14 0.19 -1.08 0.28 -1.25 -1.28 120.64 116.37 2hhb n GLU 43 Ca 0.14 0.31 0.13 0.00 -0.16 0.00 0.00 57.16 57.58 2hhb n GLU 43 Cb 0.65 -1.73 0.68 0.00 1.43 0.00 0.00 31.44 32.47 2hhb n GLU 43 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2hhb h SER 44 N 0.00 0.00 0.00 -1.84 0.87 -1.95 -3.18 113.55 107.45 2hhb h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2hhb h SER 44 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2hhb h SER 44 CO 0.00 0.00 -0.01 0.49 -0.53 0.00 0.00 176.83 176.78 2hhb n PHE 45 N -2.41 0.00 -0.86 2.24 0.99 -0.41 -5.03 117.46 111.98 2hhb n PHE 45 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 2hhb n PHE 45 Cb 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 2hhb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hhb n GLY 46 N 1.18 0.90 3.60 1.37 0.00 -1.21 -4.80 105.19 106.23 2hhb n GLY 46 Ca 0.19 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2hhb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hhb s ASP 47 N -4.00 6.65 -0.15 1.61 3.68 -1.26 -4.84 116.67 118.36 2hhb s ASP 47 Ca 0.00 0.51 0.15 0.00 2.13 0.00 0.00 52.55 55.33 2hhb s ASP 47 Cb 0.00 -2.46 0.34 0.00 -1.45 0.00 0.00 42.92 39.35 2hhb s ASP 47 CO 0.00 -0.87 1.17 0.18 0.13 0.00 0.00 175.17 175.78 2hhb n LEU 48 N 6.80 2.29 0.09 -1.34 4.77 -1.26 -4.23 117.00 124.13 2hhb n LEU 48 Ca 0.07 -3.26 -0.00 0.00 -0.03 0.00 0.00 56.01 52.78 2hhb n LEU 48 Cb 0.48 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2hhb n LEU 48 CO 0.59 0.98 0.20 0.77 -1.33 0.00 0.00 177.39 178.60 2hhb h SER 49 N 0.51 0.00 -4.03 -1.43 4.64 -1.92 -3.45 113.55 107.87 2hhb h SER 49 Ca -0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.93 2hhb h SER 49 Cb 1.08 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 2hhb h SER 49 CO 0.01 0.62 -0.64 0.42 -0.87 0.00 0.00 176.83 176.37 2hhb s THR 50 N -2.90 0.90 0.18 2.95 -4.23 -1.26 -5.03 115.64 106.25 2hhb s THR 50 Ca 0.02 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.38 2hhb s THR 50 Cb 0.08 -2.44 0.09 0.00 1.34 0.00 0.00 72.50 71.58 2hhb s THR 50 CO 0.78 -0.23 1.72 -0.65 -0.54 0.00 0.00 174.62 175.70 2hhb h PRO 51 N 2.44 0.24 -0.82 3.99 0.11 -1.98 -1.01 132.00 134.96 2hhb h PRO 51 Ca -0.38 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2hhb h PRO 51 Cb 1.23 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2hhb h PRO 51 CO 0.64 0.16 0.51 -0.44 -0.21 0.00 0.00 178.00 178.65 2hhb h ASP 52 N 0.24 0.98 -0.65 -2.05 3.32 -1.99 0.11 116.42 116.38 2hhb h ASP 52 Ca 0.23 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2hhb h ASP 52 Cb 0.29 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2hhb h ASP 52 CO -0.29 0.75 0.18 0.00 -1.72 0.00 0.00 179.24 178.16 2hhb h ALA 53 N 1.27 0.86 -0.03 3.45 0.00 -1.72 -1.65 119.26 121.45 2hhb h ALA 53 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hhb h ALA 53 Cb -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2hhb h ALA 53 CO -0.06 0.56 0.01 0.28 0.00 0.00 0.00 179.25 180.04 2hhb h VAL 54 N 0.96 1.16 0.00 0.00 2.07 -0.78 -1.70 116.25 117.96 2hhb h VAL 54 Ca 0.21 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2hhb h VAL 54 Cb 0.33 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2hhb h VAL 54 CO -0.00 0.13 -0.24 0.24 0.02 0.00 0.00 177.57 177.72 2hhb h MET 55 N -0.15 0.00 -0.01 1.57 2.07 -0.60 -2.54 114.93 115.26 2hhb h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2hhb h MET 55 Cb 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 2hhb h MET 55 CO -0.00 0.24 -0.30 0.41 1.07 0.00 0.00 176.91 178.32 2hhb n GLY 56 N -0.21 -0.11 3.68 8.32 0.00 -0.64 -4.89 105.19 111.33 2hhb n GLY 56 Ca -0.01 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 2hhb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hhb s ASN 57 N -2.39 7.02 0.42 1.61 3.84 -0.65 -4.89 114.94 119.89 2hhb s ASN 57 Ca 0.24 1.75 0.20 0.00 0.21 0.00 0.00 52.86 55.25 2hhb s ASN 57 Cb 0.19 -2.55 0.94 0.00 -0.55 0.00 0.00 41.25 39.28 2hhb s ASN 57 CO 0.50 -0.65 1.88 1.55 -2.79 0.00 0.00 177.10 177.59 2hhb h PRO 58 N 7.73 0.00 -0.31 0.43 0.13 -1.90 -1.33 132.00 136.76 2hhb h PRO 58 Ca -0.31 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.65 2hhb h PRO 58 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2hhb h PRO 58 CO 0.92 0.29 -0.49 0.87 -0.23 0.00 0.00 178.00 179.35 2hhb h LYS 59 N 0.00 0.88 -0.36 0.86 6.56 -1.90 -0.56 116.57 122.04 2hhb h LYS 59 Ca -0.00 -0.53 -0.01 0.00 -1.06 0.00 0.00 60.65 59.05 2hhb h LYS 59 Cb 0.63 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.33 2hhb h LYS 59 CO 0.04 1.17 0.18 0.28 -2.06 0.00 0.00 179.45 179.06 2hhb h VAL 60 N 0.66 1.15 -0.79 0.50 2.07 -1.73 0.29 116.25 118.41 2hhb h VAL 60 Ca 0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2hhb h VAL 60 Cb 1.10 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2hhb h VAL 60 CO 0.11 0.16 0.52 0.11 0.02 0.00 0.00 177.57 178.50 2hhb h LYS 61 N 0.44 1.04 -0.66 1.57 1.57 -1.19 -0.00 116.57 119.34 2hhb h LYS 61 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2hhb h LYS 61 Cb 0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2hhb h LYS 61 CO -0.02 0.69 0.11 0.00 -0.57 0.00 0.00 179.45 179.66 2hhb h ALA 62 N 1.29 0.94 -0.47 3.86 0.00 -0.81 -1.22 119.26 122.85 2hhb h ALA 62 Ca 0.29 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2hhb h ALA 62 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2hhb h ALA 62 CO -0.06 0.66 -0.14 1.25 0.00 0.00 0.00 179.25 180.96 2hhb h HIS 63 N 1.02 0.99 -0.49 0.00 -0.00 -0.56 -2.46 115.15 113.65 2hhb h HIS 63 Ca 0.20 -0.20 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2hhb h HIS 63 Cb 0.43 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 2hhb h HIS 63 CO 0.03 0.96 0.14 0.78 -0.00 0.00 0.00 177.93 179.84 2hhb h GLY 64 N 0.96 0.78 1.55 5.26 0.00 -0.52 0.10 103.07 111.19 2hhb h GLY 64 Ca 0.12 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 2hhb h GLY 64 CO 0.05 0.39 -0.45 1.70 0.00 0.00 0.00 176.54 178.23 2hhb h LYS 65 N 0.71 0.49 -0.16 4.80 3.64 -0.99 -0.18 116.57 124.88 2hhb h LYS 65 Ca 0.16 -0.27 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 2hhb h LYS 65 Cb 0.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2hhb h LYS 65 CO -0.01 0.85 -0.49 -0.22 -2.27 0.00 0.00 179.45 177.31 2hhb h LYS 66 N 0.40 0.62 -0.15 1.90 3.64 -0.86 -1.87 116.57 120.25 2hhb h LYS 66 Ca 0.03 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2hhb h LYS 66 Cb 0.95 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2hhb h LYS 66 CO 0.08 1.07 0.06 0.28 -2.27 0.00 0.00 179.45 178.67 2hhb h VAL 67 N 0.28 1.16 0.00 2.00 2.07 -0.73 -2.63 116.25 118.38 2hhb h VAL 67 Ca -0.02 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2hhb h VAL 67 Cb 1.12 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2hhb h VAL 67 CO 0.11 0.14 -0.41 0.25 0.02 0.00 0.00 177.57 177.68 2hhb h LEU 68 N 0.09 0.00 -0.55 2.57 7.12 -1.06 -1.18 115.31 122.29 2hhb h LEU 68 Ca 0.05 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.99 2hhb h LEU 68 Cb 0.17 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 2hhb h LEU 68 CO -0.00 0.41 0.09 1.23 -0.13 0.00 0.00 178.44 180.03 2hhb h GLY 69 N 1.69 0.99 1.03 3.75 0.00 -1.32 0.19 103.07 109.40 2hhb h GLY 69 Ca -0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 2hhb h GLY 69 CO 0.05 0.61 0.23 0.00 0.00 0.00 0.00 176.54 177.43 2hhb h ALA 70 N 0.99 0.89 -0.45 3.60 0.00 -1.10 -1.15 119.26 122.05 2hhb h ALA 70 Ca 0.17 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2hhb h ALA 70 Cb 0.41 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2hhb h ALA 70 CO 0.01 0.55 0.12 0.35 0.00 0.00 0.00 179.25 180.28 2hhb h PHE 71 N 0.99 0.21 -0.37 0.00 3.57 -0.96 -1.52 116.94 118.85 2hhb h PHE 71 Ca 0.22 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2hhb h PHE 71 Cb 0.27 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2hhb h PHE 71 CO 0.02 0.05 0.23 1.03 -2.23 0.00 0.00 178.31 177.41 2hhb h SER 72 N 0.27 0.39 0.14 0.41 0.87 -0.22 -0.56 113.55 114.85 2hhb h SER 72 Ca 0.21 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2hhb h SER 72 Cb 0.24 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2hhb h SER 72 CO -0.25 0.28 -0.19 0.44 -0.53 0.00 0.00 176.83 176.58 2hhb h ASP 73 N 0.48 0.11 0.43 6.23 3.32 -1.06 -0.09 116.42 125.84 2hhb h ASP 73 Ca 0.14 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2hhb h ASP 73 Cb -0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2hhb h ASP 73 CO -0.05 0.31 -0.18 1.23 -1.72 0.00 0.00 179.24 178.84 2hhb h GLY 74 N 0.73 0.00 2.00 2.75 0.00 -0.04 -2.58 103.07 105.93 2hhb h GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2hhb h GLY 74 CO 0.03 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.98 2hhb h LEU 75 N 0.00 0.00 -0.02 3.11 3.38 -0.49 0.21 115.31 121.50 2hhb h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hhb h LEU 75 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2hhb h LEU 75 CO 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.51 2hhb n ALA 76 N -1.85 2.51 -2.50 1.53 0.00 -0.97 -4.04 120.51 115.19 2hhb n ALA 76 Ca 0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 2hhb n ALA 76 Cb 0.23 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.28 2hhb n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hhb n HIS 77 N -1.36 1.92 0.27 0.00 8.25 0.06 -4.85 115.22 119.50 2hhb n HIS 77 Ca 0.10 -2.27 0.16 0.00 -0.26 0.00 0.00 57.72 55.46 2hhb n HIS 77 Cb 0.30 -0.27 0.90 0.00 1.12 0.00 0.00 29.99 32.03 2hhb n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2hhb h LEU 78 N 2.47 0.00 -0.26 2.41 4.07 -1.69 0.13 115.31 122.45 2hhb h LEU 78 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2hhb h LEU 78 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2hhb h LEU 78 CO 0.45 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.28 2hhb n ASP 79 N -3.79 0.27 -2.74 -0.43 10.43 -1.26 -0.67 116.55 118.36 2hhb n ASP 79 Ca -0.01 0.56 -0.08 0.00 2.57 0.00 0.00 54.79 57.83 2hhb n ASP 79 Cb 0.17 -0.62 0.07 0.00 1.84 0.00 0.00 41.12 42.57 2hhb n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 2hhb n ASN 80 N -1.80 -2.60 0.05 -2.24 5.15 0.45 -4.71 115.26 109.55 2hhb n ASN 80 Ca 0.03 -3.35 -0.04 0.00 -0.60 0.00 0.00 54.58 50.63 2hhb n ASN 80 Cb 0.21 1.81 0.19 0.00 -0.53 0.00 0.00 39.78 41.46 2hhb n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2hhb h LEU 81 N 3.56 0.40 -0.70 1.20 3.38 -1.67 -2.57 115.31 118.91 2hhb h LEU 81 Ca -0.14 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 2hhb h LEU 81 Cb 1.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2hhb h LEU 81 CO 0.23 0.74 -0.05 0.11 0.09 0.00 0.00 178.44 179.55 2hhb h LYS 82 N 0.32 0.95 -0.17 1.13 1.57 -1.90 0.13 116.57 118.60 2hhb h LYS 82 Ca 0.03 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.34 2hhb h LYS 82 Cb 0.80 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2hhb h LYS 82 CO 0.06 0.97 -0.57 0.78 -0.57 0.00 0.00 179.45 180.13 2hhb h GLY 83 N 0.98 0.59 1.60 3.86 0.00 -1.95 -1.84 103.07 106.31 2hhb h GLY 83 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2hhb h GLY 83 CO 0.04 0.63 -0.10 -0.84 0.00 0.00 0.00 176.54 176.27 2hhb h THR 84 N 0.41 1.22 -0.35 4.70 2.02 -0.93 -3.18 112.91 116.81 2hhb h THR 84 Ca 0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2hhb h THR 84 Cb 1.11 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2hhb h THR 84 CO 0.11 0.32 0.00 0.49 0.37 0.00 0.00 175.52 176.80 2hhb n PHE 85 N -4.22 0.46 -0.08 3.16 3.01 0.37 -4.67 117.46 115.49 2hhb n PHE 85 Ca 0.01 -0.41 -0.08 0.00 1.01 0.00 0.00 57.45 57.98 2hhb n PHE 85 Cb 0.30 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.75 2hhb n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hhb h ALA 86 N 2.50 0.37 -0.43 4.37 0.00 -1.31 0.21 119.26 124.96 2hhb h ALA 86 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2hhb h ALA 86 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2hhb h ALA 86 CO 0.00 -0.21 -0.27 1.15 0.00 0.00 0.00 179.25 179.93 2hhb h THR 87 N 0.34 1.27 -0.08 0.00 2.02 -1.83 -2.32 112.91 112.32 2hhb h THR 87 Ca 0.12 -1.42 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 2hhb h THR 87 Cb 0.01 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2hhb h THR 87 CO -0.06 0.48 -0.20 -0.07 0.37 0.00 0.00 175.52 176.04 2hhb h LEU 88 N 0.78 0.13 0.10 2.58 3.38 -1.75 -1.54 115.31 118.98 2hhb h LEU 88 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hhb h LEU 88 Cb 0.83 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2hhb h LEU 88 CO 0.07 0.34 -0.05 -1.28 0.09 0.00 0.00 178.44 177.61 2hhb h SER 89 N 0.13 -0.12 -0.50 -0.43 0.87 -0.20 -0.35 113.55 112.96 2hhb h SER 89 Ca 0.02 -0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.61 2hhb h SER 89 Cb 0.43 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.32 2hhb h SER 89 CO 0.03 -0.00 -0.13 -0.33 -0.53 0.00 0.00 176.83 175.87 2hhb h GLU 90 N -0.22 -0.00 -0.51 2.24 5.08 -1.23 -0.79 114.58 119.15 2hhb h GLU 90 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hhb h GLU 90 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2hhb h GLU 90 CO 0.02 -0.00 0.30 1.25 -1.00 0.00 0.00 179.01 179.58 2hhb h LEU 91 N -0.00 0.62 -1.02 1.33 5.85 -1.11 0.28 115.31 121.26 2hhb h LEU 91 Ca 0.24 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 2hhb h LEU 91 Cb 0.37 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2hhb h LEU 91 CO -0.51 0.51 -0.47 0.45 -0.34 0.00 0.00 178.44 178.08 2hhb h HIS 92 N 0.68 0.06 0.25 1.25 3.86 -0.47 -1.26 115.15 119.51 2hhb h HIS 92 Ca 0.18 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2hhb h HIS 92 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2hhb h HIS 92 CO -0.02 0.51 -0.12 0.00 0.86 0.00 0.00 177.93 179.16 2hhb h ASP 94 N -1.09 0.30 0.00 0.00 3.32 -0.47 -3.14 116.42 115.34 2hhb h ASP 94 Ca -0.03 -0.25 -0.19 0.00 0.02 0.00 0.00 57.03 56.58 2hhb h ASP 94 Cb 0.27 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 2hhb h ASP 94 CO 0.06 1.06 -1.70 0.29 -1.72 0.00 0.00 179.24 177.22 2hhb n LYS 95 N -3.66 0.31 0.07 3.56 4.76 -0.72 -4.70 118.16 117.78 2hhb n LYS 95 Ca -0.04 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.59 2hhb n LYS 95 Cb 0.82 -1.23 0.05 0.00 -1.84 0.00 0.00 35.03 32.83 2hhb n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2hhb n LEU 96 N -2.91 0.72 -3.61 -0.35 4.77 -0.56 -4.99 117.00 110.07 2hhb n LEU 96 Ca -0.22 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2hhb n LEU 96 Cb 0.73 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2hhb n LEU 96 CO 0.12 -0.09 0.09 1.41 -1.33 0.00 0.00 177.39 177.59 2hhb n HIS 97 N -2.33 -2.28 -3.44 -1.77 8.25 -0.24 -4.96 115.22 108.45 2hhb n HIS 97 Ca 0.01 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 58.01 2hhb n HIS 97 Cb 0.49 -4.73 -0.10 0.00 1.12 0.00 0.00 29.99 26.77 2hhb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2hhb s VAL 98 N -3.43 5.21 0.13 1.59 1.01 -0.61 -5.02 120.40 119.28 2hhb s VAL 98 Ca 0.22 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 2hhb s VAL 98 Cb -0.10 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2hhb s VAL 98 CO 0.77 0.14 1.80 -0.62 0.00 0.00 0.00 175.10 177.18 2hhb s ASP 99 N 1.68 6.43 0.17 3.32 3.68 -1.26 -4.77 116.67 125.93 2hhb s ASP 99 Ca 0.13 2.75 0.13 0.00 2.13 0.00 0.00 52.55 57.69 2hhb s ASP 99 Cb -0.16 -2.57 0.68 0.00 -1.45 0.00 0.00 42.92 39.42 2hhb s ASP 99 CO 0.10 -0.99 1.40 -2.65 0.13 0.00 0.00 175.17 173.17 2hhb n PRO 100 N 5.40 0.08 0.27 4.34 -0.02 -1.26 -1.27 135.00 142.53 2hhb n PRO 100 Ca 0.17 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.31 2hhb n PRO 100 Cb 0.38 -1.75 0.73 0.00 -0.02 0.00 0.00 33.50 32.84 2hhb n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hhb h GLU 101 N 0.00 0.00 -0.13 -0.52 4.57 -1.99 -1.28 114.58 115.23 2hhb h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2hhb h GLU 101 Cb 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2hhb h GLU 101 CO 0.00 0.07 -0.03 -0.91 -1.18 0.00 0.00 179.01 176.95 2hhb h ASN 102 N 0.00 0.17 -0.13 1.04 2.35 -1.55 -1.42 115.58 116.04 2hhb h ASN 102 Ca -0.00 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 2hhb h ASN 102 Cb 0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2hhb h ASN 102 CO 0.01 0.24 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.59 2hhb h PHE 103 N 0.19 0.58 -0.19 1.19 0.04 -1.43 -0.56 116.94 116.76 2hhb h PHE 103 Ca 0.04 -0.11 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 2hhb h PHE 103 Cb 0.19 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2hhb h PHE 103 CO 0.00 0.68 -0.43 0.00 -0.60 0.00 0.00 178.31 177.96 2hhb h ARG 104 N 0.48 0.63 -0.62 1.51 3.08 -1.29 -1.48 114.38 116.69 2hhb h ARG 104 Ca 0.08 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.75 2hhb h ARG 104 Cb 0.59 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2hhb h ARG 104 CO 0.04 1.04 0.36 -0.07 -1.07 0.00 0.00 179.97 180.27 2hhb h LEU 105 N 0.31 0.56 -0.71 3.04 3.38 -1.23 -1.27 115.31 119.40 2hhb h LEU 105 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2hhb h LEU 105 Cb 1.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2hhb h LEU 105 CO 0.09 0.38 0.28 0.25 0.09 0.00 0.00 178.44 179.54 2hhb h LEU 106 N 0.69 0.98 -1.01 1.67 5.85 -0.96 -1.54 115.31 120.98 2hhb h LEU 106 Ca 0.26 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2hhb h LEU 106 Cb 0.09 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2hhb h LEU 106 CO -0.13 0.88 0.17 1.23 -0.34 0.00 0.00 178.44 180.25 2hhb h GLY 107 N 1.01 0.95 1.56 3.75 0.00 -0.90 0.22 103.07 109.66 2hhb h GLY 107 Ca 0.23 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.85 2hhb h GLY 107 CO -0.02 0.50 -0.70 3.43 0.00 0.00 0.00 176.54 179.75 2hhb h ASN 108 N 0.85 0.51 -0.30 0.19 2.35 -0.80 -1.87 115.58 116.52 2hhb h ASN 108 Ca 0.19 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 2hhb h ASN 108 Cb 0.26 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2hhb h ASN 108 CO -0.01 1.06 -0.15 0.58 -1.65 0.00 0.00 177.43 177.26 2hhb h VAL 109 N 0.30 1.26 -0.45 2.81 2.07 -0.83 -2.27 116.25 119.14 2hhb h VAL 109 Ca -0.03 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2hhb h VAL 109 Cb 1.27 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2hhb h VAL 109 CO 0.12 0.41 0.27 0.25 0.02 0.00 0.00 177.57 178.64 2hhb h LEU 110 N 0.66 0.45 -0.67 2.57 5.85 -0.37 0.82 115.31 124.62 2hhb h LEU 110 Ca 0.11 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2hhb h LEU 110 Cb 0.62 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2hhb h LEU 110 CO 0.04 0.32 0.39 0.58 -0.34 0.00 0.00 178.44 179.43 2hhb h VAL 111 N 0.55 1.01 -0.79 1.05 2.07 -1.11 0.19 116.25 119.22 2hhb h VAL 111 Ca 0.18 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 2hhb h VAL 111 Cb -0.00 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2hhb h VAL 111 CO -0.07 0.13 0.30 0.00 0.02 0.00 0.00 177.57 177.95 2hhb h VAL 113 N 1.16 1.23 -0.58 0.00 2.07 -0.22 -0.47 116.25 119.44 2hhb h VAL 113 Ca 0.26 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 2hhb h VAL 113 Cb 0.24 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2hhb h VAL 113 CO -0.02 0.29 0.11 -0.07 0.02 0.00 0.00 177.57 177.90 2hhb h LEU 114 N 0.82 0.87 -0.76 2.57 3.38 -0.60 -0.39 115.31 121.20 2hhb h LEU 114 Ca 0.19 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2hhb h LEU 114 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2hhb h LEU 114 CO -0.01 0.86 0.22 0.00 0.09 0.00 0.00 178.44 179.60 2hhb h ALA 115 N 1.24 0.99 -0.42 1.53 0.00 -0.72 0.54 119.26 122.42 2hhb h ALA 115 Ca 0.18 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2hhb h ALA 115 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hhb h ALA 115 CO 0.00 0.67 -0.32 1.25 0.00 0.00 0.00 179.25 180.86 2hhb h HIS 116 N 1.11 1.13 -0.52 0.00 -0.00 -0.60 -0.11 115.15 116.16 2hhb h HIS 116 Ca 0.24 -0.31 -0.12 0.00 -0.00 0.00 0.00 60.37 60.17 2hhb h HIS 116 Cb 0.32 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2hhb h HIS 116 CO 0.03 1.14 -0.16 0.45 -0.00 0.00 0.00 177.93 179.39 2hhb h HIS 117 N 0.80 1.16 0.00 5.26 -0.00 -0.86 -3.34 115.15 118.17 2hhb h HIS 117 Ca 0.08 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2hhb h HIS 117 Cb 0.91 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2hhb h HIS 117 CO 0.06 1.09 -1.09 1.19 -0.00 0.00 0.00 177.93 179.18 2hhb n PHE 118 N -4.13 0.00 0.00 2.45 3.01 0.16 -5.04 117.46 113.91 2hhb n PHE 118 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2hhb n PHE 118 Cb 0.43 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2hhb n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2hhb n GLY 119 N 1.44 3.25 0.18 1.37 0.00 -0.06 -2.09 105.19 109.28 2hhb n GLY 119 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2hhb n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2hhb h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 0.54 116.57 118.86 2hhb h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hhb h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2hhb h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 2hhb h GLU 121 N 0.00 0.00 -4.37 0.07 4.81 -1.82 -3.34 114.58 109.93 2hhb h GLU 121 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 2hhb h GLU 121 Cb 0.29 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.55 2hhb h GLU 121 CO 0.00 0.00 2.24 0.34 -0.73 0.00 0.00 179.01 180.86 2hhb n PHE 122 N -2.98 3.87 -1.66 0.92 7.35 0.18 -4.94 117.46 120.20 2hhb n PHE 122 Ca 0.00 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 2hhb n PHE 122 Cb 0.26 -2.31 0.09 0.00 0.35 0.00 0.00 39.48 37.88 2hhb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hhb s THR 123 N 2.19 2.81 0.23 -2.13 -4.23 -1.26 -4.68 115.64 108.58 2hhb s THR 123 Ca 0.45 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 61.12 2hhb s THR 123 Cb 0.07 -3.09 0.28 0.00 1.34 0.00 0.00 72.50 71.10 2hhb s THR 123 CO -0.01 -0.34 1.62 -0.65 -0.54 0.00 0.00 174.62 174.70 2hhb h PRO 124 N -1.08 0.04 -0.53 3.99 0.11 -1.93 0.14 132.00 132.74 2hhb h PRO 124 Ca -0.47 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2hhb h PRO 124 Cb 1.29 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 2hhb h PRO 124 CO 0.62 0.03 0.02 -1.35 -0.21 0.00 0.00 178.00 177.10 2hhb h PRO 125 N 0.04 0.89 -0.23 1.05 0.11 -1.99 -0.85 132.00 131.01 2hhb h PRO 125 Ca 0.37 -0.25 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 2hhb h PRO 125 Cb 0.60 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2hhb h PRO 125 CO -0.70 0.88 -0.10 0.28 -0.21 0.00 0.00 178.00 178.15 2hhb h VAL 126 N 0.83 1.30 -0.42 3.15 2.07 -1.74 -2.31 116.25 119.12 2hhb h VAL 126 Ca 0.16 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.61 2hhb h VAL 126 Cb 0.47 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 2hhb h VAL 126 CO 0.02 0.36 -0.13 -0.61 0.02 0.00 0.00 177.57 177.23 2hhb h GLN 127 N 0.20 -0.03 -0.86 1.57 4.15 -0.53 -1.27 115.11 118.34 2hhb h GLN 127 Ca 0.05 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.60 2hhb h GLN 127 Cb 0.59 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.20 2hhb h GLN 127 CO 0.03 -0.02 0.48 0.00 -1.93 0.00 0.00 178.83 177.39 2hhb h ALA 128 N 1.36 1.27 -0.33 3.38 0.00 -1.02 0.18 119.26 124.10 2hhb h ALA 128 Ca 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2hhb h ALA 128 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2hhb h ALA 128 CO -0.45 0.03 0.05 0.00 0.00 0.00 0.00 179.25 178.87 2hhb h ALA 129 N 1.51 0.43 -0.08 0.00 0.00 -1.02 -2.42 119.26 117.70 2hhb h ALA 129 Ca 0.44 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2hhb h ALA 129 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hhb h ALA 129 CO -0.30 0.13 -0.37 1.88 0.00 0.00 0.00 179.25 180.59 2hhb h TYR 130 N 0.37 0.17 -0.82 0.00 0.05 -0.41 -2.05 116.97 114.28 2hhb h TYR 130 Ca 0.10 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.87 2hhb h TYR 130 Cb 0.35 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.00 2hhb h TYR 130 CO 0.02 0.51 0.53 1.96 -1.05 0.00 0.00 178.16 180.13 2hhb h GLN 131 N 0.13 1.01 -0.58 4.88 1.08 -0.39 0.51 115.11 121.76 2hhb h GLN 131 Ca 0.01 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 2hhb h GLN 131 Cb 0.72 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2hhb h GLN 131 CO 0.05 0.67 0.24 0.87 -0.95 0.00 0.00 178.83 179.71 2hhb h LYS 132 N 1.04 0.86 -0.46 1.46 1.57 -0.94 -0.21 116.57 119.88 2hhb h LYS 132 Ca 0.32 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2hhb h LYS 132 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2hhb h LYS 132 CO -0.11 0.73 0.07 0.28 -0.57 0.00 0.00 179.45 179.86 2hhb h VAL 133 N 0.79 1.25 -0.19 0.50 2.07 -0.85 -0.60 116.25 119.22 2hhb h VAL 133 Ca 0.19 -0.91 -0.15 0.00 0.82 0.00 0.00 66.70 66.66 2hhb h VAL 133 Cb 0.19 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2hhb h VAL 133 CO -0.02 0.32 -0.50 -0.37 0.02 0.00 0.00 177.57 177.03 2hhb h VAL 134 N 0.63 1.32 -0.25 2.57 -1.51 -0.75 0.21 116.25 118.46 2hhb h VAL 134 Ca 0.14 -1.72 -0.09 0.00 -1.23 0.00 0.00 66.70 63.80 2hhb h VAL 134 Cb 0.39 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2hhb h VAL 134 CO 0.01 0.53 -0.22 0.00 -1.23 0.00 0.00 177.57 176.66 2hhb h ALA 135 N 1.06 1.16 -0.33 5.19 0.00 -0.82 -2.34 119.26 123.18 2hhb h ALA 135 Ca 0.02 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2hhb h ALA 135 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2hhb h ALA 135 CO 0.09 0.53 0.02 0.78 0.00 0.00 0.00 179.25 180.68 2hhb h GLY 136 N 0.99 0.61 0.99 0.00 0.00 -0.55 -0.39 103.07 104.72 2hhb h GLY 136 Ca 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2hhb h GLY 136 CO 0.04 0.40 0.31 -2.08 0.00 0.00 0.00 176.54 175.22 2hhb h VAL 137 N 0.38 1.16 -0.31 4.60 2.07 -0.94 -0.28 116.25 122.93 2hhb h VAL 137 Ca 0.10 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2hhb h VAL 137 Cb 0.40 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2hhb h VAL 137 CO 0.01 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.89 2hhb h ALA 138 N 1.15 0.40 -0.62 1.67 0.00 -1.21 0.10 119.26 120.76 2hhb h ALA 138 Ca 0.19 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2hhb h ALA 138 Cb -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2hhb h ALA 138 CO -0.03 0.00 0.31 -0.91 0.00 0.00 0.00 179.25 178.61 2hhb h ASN 139 N 0.35 0.41 -0.52 0.00 2.35 -0.98 -1.12 115.58 116.08 2hhb h ASN 139 Ca 0.10 0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 2hhb h ASN 139 Cb 0.19 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2hhb h ASN 139 CO -0.01 0.26 -0.08 0.00 -1.65 0.00 0.00 177.43 175.95 2hhb h ALA 140 N 1.36 0.83 0.00 -0.83 0.00 -0.47 -2.23 119.26 117.93 2hhb h ALA 140 Ca 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hhb h ALA 140 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hhb h ALA 140 CO -0.22 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.61 2hhb h LEU 141 N 0.90 0.00 -0.49 0.00 3.38 -0.75 -2.96 115.31 115.39 2hhb h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2hhb h LEU 141 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2hhb h LEU 141 CO 0.04 0.01 -0.39 0.00 0.09 0.00 0.00 178.44 178.19 2hhb n ALA 142 N -2.10 3.37 0.18 1.53 0.00 -0.44 -4.44 120.51 118.61 2hhb n ALA 142 Ca 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.02 2hhb n ALA 142 Cb 0.39 -1.04 0.35 0.00 0.00 0.00 0.00 19.45 19.16 2hhb n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hhb h HIS 143 N 1.20 0.01 -0.61 0.00 6.17 -1.24 -2.35 115.15 118.33 2hhb h HIS 143 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2hhb h HIS 143 Cb 0.56 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.49 2hhb h HIS 143 CO 0.00 0.38 0.00 1.63 0.71 0.00 0.00 177.93 180.65 2hhb n LYS 144 N -4.10 2.64 -1.86 5.26 4.76 -1.26 -4.93 118.16 118.66 2hhb n LYS 144 Ca -0.02 -2.52 -0.40 0.00 -2.87 0.00 0.00 58.31 52.50 2hhb n LYS 144 Cb 0.41 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2hhb n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2hhb s TYR 145 N -1.20 2.61 0.00 2.13 2.02 -0.89 -4.74 117.35 117.28 2hhb s TYR 145 Ca 0.46 1.26 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 2hhb s TYR 145 Cb 0.25 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.90 2hhb s TYR 145 CO 0.33 -2.75 0.00 -2.39 -1.57 0.00 0.00 175.55 169.17