#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hhb s HIS 2 N 0.00 3.02 0.01 3.52 5.04 -1.26 -4.74 115.29 120.88 4hhb s HIS 2 Ca 0.00 -1.66 0.08 0.00 -1.54 0.00 0.00 55.06 51.95 4hhb s HIS 2 Cb 0.00 -2.01 -0.02 0.00 0.04 0.00 0.00 32.58 30.59 4hhb s HIS 2 CO 0.00 -0.76 -0.25 -0.51 -2.34 0.00 0.00 174.74 170.88 4hhb s LEU 3 N 1.29 2.11 0.00 8.88 1.43 -1.26 -5.11 118.68 126.02 4hhb s LEU 3 Ca 0.00 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 4hhb s LEU 3 Cb -0.16 -1.25 0.19 0.00 0.03 0.00 0.00 46.19 44.99 4hhb s LEU 3 CO -0.07 0.27 0.42 0.35 0.23 0.00 0.00 176.35 177.56 4hhb n THR 4 N 2.13 0.00 -0.01 5.49 -2.24 -1.26 -4.76 114.28 113.64 4hhb n THR 4 Ca -0.16 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 4hhb n THR 4 Cb 0.52 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 4hhb n THR 4 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 4hhb h PRO 5 N 0.00 0.47 -0.00 -0.78 0.11 -1.99 0.49 132.00 130.30 4hhb h PRO 5 Ca -0.19 -0.44 -0.17 0.00 0.11 0.00 0.00 66.00 65.31 4hhb h PRO 5 Cb 0.64 0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 4hhb h PRO 5 CO 0.11 1.08 -0.77 1.05 -0.21 0.00 0.00 178.00 179.26 4hhb h GLU 6 N 0.02 0.06 0.00 1.05 9.09 -2.00 -0.87 114.58 121.94 4hhb h GLU 6 Ca -0.06 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.29 4hhb h GLU 6 Cb 1.24 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 4hhb h GLU 6 CO 0.11 0.80 0.00 0.39 0.05 0.00 0.00 179.01 180.36 4hhb n GLU 7 N -3.66 0.00 -0.12 1.06 1.02 -0.18 -0.86 120.64 117.91 4hhb n GLU 7 Ca -0.02 0.43 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 4hhb n GLU 7 Cb 0.74 -1.32 0.01 0.00 -0.02 0.00 0.00 31.44 30.84 4hhb n GLU 7 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 4hhb h LYS 8 N 0.00 -0.13 -0.57 3.49 3.64 -0.93 -2.06 116.57 120.00 4hhb h LYS 8 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 4hhb h LYS 8 Cb 0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 4hhb h LYS 8 CO 0.00 -0.09 0.38 0.66 -2.27 0.00 0.00 179.45 178.13 4hhb h SER 9 N -0.14 0.44 1.28 4.20 4.64 -1.12 -1.56 113.55 121.29 4hhb h SER 9 Ca 0.19 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 4hhb h SER 9 Cb 0.44 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 4hhb h SER 9 CO -0.48 0.29 -0.72 0.00 -0.87 0.00 0.00 176.83 175.04 4hhb h ALA 10 N 1.70 0.53 0.34 5.18 0.00 -0.34 -1.35 119.26 125.32 4hhb h ALA 10 Ca 0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 4hhb h ALA 10 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 4hhb h ALA 10 CO -0.07 0.90 -0.36 0.28 0.00 0.00 0.00 179.25 180.00 4hhb h VAL 11 N 0.00 0.26 -0.32 0.00 2.07 -0.96 -2.42 116.25 114.88 4hhb h VAL 11 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 4hhb h VAL 11 Cb 1.55 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 4hhb h VAL 11 CO 0.09 0.00 0.19 0.74 0.02 0.00 0.00 177.57 178.61 4hhb h THR 12 N -0.73 1.04 -0.48 2.57 2.02 -1.26 -0.91 112.91 115.15 4hhb h THR 12 Ca -0.02 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.04 4hhb h THR 12 Cb 0.67 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 4hhb h THR 12 CO -0.07 0.07 0.31 0.00 0.37 0.00 0.00 175.52 176.20 4hhb h ALA 13 N 1.14 0.61 -0.42 6.16 0.00 -1.27 -1.72 119.26 123.77 4hhb h ALA 13 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.06 4hhb h ALA 13 Cb -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 4hhb h ALA 13 CO -0.06 0.04 0.13 1.25 0.00 0.00 0.00 179.25 180.62 4hhb h LEU 14 N 0.64 0.12 -2.03 0.00 5.85 -1.36 -2.78 115.31 115.75 4hhb h LEU 14 Ca 0.18 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.05 4hhb h LEU 14 Cb -0.06 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 4hhb h LEU 14 CO -0.05 0.10 0.26 -0.25 -0.34 0.00 0.00 178.44 178.17 4hhb h TRP 15 N 0.29 0.00 0.00 1.25 2.91 -0.75 -1.42 115.95 118.23 4hhb h TRP 15 Ca 0.20 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.22 4hhb h TRP 15 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 4hhb h TRP 15 CO -0.16 0.00 0.00 0.78 -1.03 0.00 0.00 178.44 178.03 4hhb h GLY 16 N 0.00 0.00 -2.20 2.65 0.00 -1.02 -1.34 103.07 101.16 4hhb h GLY 16 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 4hhb h GLY 16 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 4hhb n LYS 17 N -2.71 2.44 -3.57 4.80 5.02 -0.54 -4.96 118.16 118.64 4hhb n LYS 17 Ca -0.02 -2.21 -0.36 0.00 -2.02 0.00 0.00 58.31 53.70 4hhb n LYS 17 Cb 0.07 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.52 4hhb n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 4hhb s VAL 18 N -1.52 5.32 -0.45 -0.18 1.01 -0.51 -5.02 120.40 119.05 4hhb s VAL 18 Ca 0.36 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 4hhb s VAL 18 Cb 0.22 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 33.02 4hhb s VAL 18 CO 0.30 0.41 0.65 0.21 0.00 0.00 0.00 175.10 176.68 4hhb s ASN 19 N 0.35 6.31 0.39 3.32 3.84 -1.26 -4.91 114.94 122.98 4hhb s ASN 19 Ca 0.16 -0.43 0.10 0.00 0.21 0.00 0.00 52.86 52.90 4hhb s ASN 19 Cb -0.13 -2.32 0.81 0.00 -0.55 0.00 0.00 41.25 39.06 4hhb s ASN 19 CO 0.03 -0.81 1.93 0.58 -2.79 0.00 0.00 177.10 176.04 4hhb h VAL 20 N 5.88 1.17 0.06 -5.21 2.07 -1.95 0.23 116.25 118.50 4hhb h VAL 20 Ca -0.26 -0.72 -0.29 0.00 0.82 0.00 0.00 66.70 66.26 4hhb h VAL 20 Cb 1.09 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 4hhb h VAL 20 CO 0.91 0.23 -1.53 0.44 0.02 0.00 0.00 177.57 177.64 4hhb h ASP 21 N 0.23 0.20 -0.00 0.57 3.32 -1.91 0.35 116.42 119.19 4hhb h ASP 21 Ca 0.05 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 4hhb h ASP 21 Cb 0.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 4hhb h ASP 21 CO 0.02 1.27 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.65 4hhb h GLU 22 N 0.04 0.06 -0.64 3.56 4.81 -1.72 -2.32 114.58 118.36 4hhb h GLU 22 Ca -0.23 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 4hhb h GLU 22 Cb 1.97 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.34 4hhb h GLU 22 CO 0.12 0.82 0.18 0.28 -0.73 0.00 0.00 179.01 179.69 4hhb h VAL 23 N -0.69 1.24 -0.26 0.32 2.07 -0.99 -1.04 116.25 116.90 4hhb h VAL 23 Ca -0.01 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.68 4hhb h VAL 23 Cb 0.85 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 4hhb h VAL 23 CO 0.02 0.33 0.13 1.23 0.02 0.00 0.00 177.57 179.29 4hhb h GLY 24 N 1.04 0.35 0.17 2.17 0.00 -0.77 0.22 103.07 106.25 4hhb h GLY 24 Ca 0.21 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.52 4hhb h GLY 24 CO -0.01 0.08 -0.16 -1.33 0.00 0.00 0.00 176.54 175.12 4hhb h GLY 25 N 0.28 0.11 0.79 4.60 0.00 -1.25 -2.32 103.07 105.28 4hhb h GLY 25 Ca 0.11 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 4hhb h GLY 25 CO -0.07 -0.17 -0.05 -2.09 0.00 0.00 0.00 176.54 174.15 4hhb h GLU 26 N -0.10 -0.14 -0.36 4.80 4.57 -1.01 -1.52 114.58 120.82 4hhb h GLU 26 Ca 0.17 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.20 4hhb h GLU 26 Cb 0.37 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 4hhb h GLU 26 CO -0.41 0.09 -0.42 0.00 -1.18 0.00 0.00 179.01 177.10 4hhb h ALA 27 N 0.52 0.57 -0.65 2.92 0.00 -0.44 0.06 119.26 122.24 4hhb h ALA 27 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.49 4hhb h ALA 27 Cb 0.29 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 4hhb h ALA 27 CO 0.02 0.68 -0.54 1.25 0.00 0.00 0.00 179.25 180.67 4hhb h LEU 28 N 0.74 -1.88 -0.93 0.00 5.85 -1.48 -0.14 115.31 117.47 4hhb h LEU 28 Ca 0.05 0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 4hhb h LEU 28 Cb 1.01 0.80 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 4hhb h LEU 28 CO 0.10 -0.30 -0.07 1.23 -0.34 0.00 0.00 178.44 179.06 4hhb h GLY 29 N -0.19 0.76 2.00 3.75 0.00 -1.21 -2.18 103.07 105.99 4hhb h GLY 29 Ca 0.11 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 4hhb h GLY 29 CO -0.71 0.49 -0.42 3.21 0.00 0.00 0.00 176.54 179.11 4hhb h ARG 30 N 0.65 0.00 -0.29 4.80 3.08 -0.82 -0.65 114.38 121.14 4hhb h ARG 30 Ca 0.12 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.23 4hhb h ARG 30 Cb 0.51 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 4hhb h ARG 30 CO 0.03 0.42 -0.40 1.25 -1.07 0.00 0.00 179.97 180.20 4hhb h LEU 31 N 0.00 -1.29 -0.48 3.04 5.85 -0.67 0.38 115.31 122.13 4hhb h LEU 31 Ca -0.00 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 4hhb h LEU 31 Cb 1.19 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 4hhb h LEU 31 CO 0.06 -0.38 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.49 4hhb h LEU 32 N -0.38 0.00 0.12 2.25 4.07 -0.56 -1.82 115.31 118.99 4hhb h LEU 32 Ca 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 4hhb h LEU 32 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 4hhb h LEU 32 CO -0.49 0.22 -0.06 0.58 -1.08 0.00 0.00 178.44 177.61 4hhb h VAL 33 N 0.00 0.57 0.00 1.22 2.07 -0.70 -3.30 116.25 116.10 4hhb h VAL 33 Ca -0.00 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 4hhb h VAL 33 Cb 0.99 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 4hhb h VAL 33 CO 0.03 0.17 -0.50 0.58 0.02 0.00 0.00 177.57 177.87 4hhb h VAL 34 N -0.98 1.09 -2.31 2.57 2.07 -0.25 -3.37 116.25 115.07 4hhb h VAL 34 Ca -0.02 -1.90 -0.59 0.00 0.82 0.00 0.00 66.70 65.01 4hhb h VAL 34 Cb 0.41 2.11 -0.41 0.00 -1.52 0.00 0.00 31.29 31.87 4hhb h VAL 34 CO 0.03 0.49 -0.72 -1.22 0.02 0.00 0.00 177.57 176.17 4hhb n TYR 35 N -3.56 2.51 0.14 1.57 4.01 -0.69 -4.99 117.16 116.15 4hhb n TYR 35 Ca -0.00 -4.01 0.07 0.00 -0.16 0.00 0.00 57.90 53.80 4hhb n TYR 35 Cb 0.59 -0.48 0.38 0.00 -0.31 0.00 0.00 39.34 39.52 4hhb n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 4hhb n PRO 36 N 1.26 0.09 0.00 -0.72 -0.04 -1.24 -1.82 135.00 132.53 4hhb n PRO 36 Ca 0.26 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.42 4hhb n PRO 36 Cb 0.43 -1.78 0.74 0.00 -0.04 0.00 0.00 33.50 32.85 4hhb n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 4hhb n TRP 37 N -1.98 0.00 0.08 0.54 2.14 -1.26 -2.00 117.44 114.96 4hhb n TRP 37 Ca -0.00 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.59 4hhb n TRP 37 Cb 0.04 -0.18 0.41 0.00 -0.81 0.00 0.00 31.31 30.77 4hhb n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 4hhb h THR 38 N 0.00 1.14 -0.54 -1.67 1.35 -1.68 -2.50 112.91 109.01 4hhb h THR 38 Ca 0.00 -0.55 0.16 0.00 -0.55 0.00 0.00 66.41 65.47 4hhb h THR 38 Cb 0.16 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 4hhb h THR 38 CO 0.00 0.19 0.62 1.56 -0.25 0.00 0.00 175.52 177.63 4hhb h GLN 39 N 0.33 0.00 -0.05 4.72 4.20 -1.62 -3.31 115.11 119.38 4hhb h GLN 39 Ca 0.08 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.80 4hhb h GLN 39 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 4hhb h GLN 39 CO 0.00 0.00 0.09 0.07 -0.67 0.00 0.00 178.83 178.32 4hhb h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.66 -2.02 114.38 112.26 4hhb h ARG 40 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 4hhb h ARG 40 Cb 1.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.56 4hhb h ARG 40 CO -0.00 0.00 -0.64 1.19 0.10 0.00 0.00 179.97 180.62 4hhb n PHE 41 N -3.56 0.00 -0.80 4.08 3.01 -1.25 -4.40 117.46 114.54 4hhb n PHE 41 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 4hhb n PHE 41 Cb 0.17 -0.05 0.11 0.00 -0.01 0.00 0.00 39.48 39.71 4hhb n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 4hhb n PHE 42 N -0.80 0.04 0.58 1.38 3.01 -0.76 -4.74 117.46 116.17 4hhb n PHE 42 Ca 0.07 -0.87 0.08 0.00 1.01 0.00 0.00 57.45 57.74 4hhb n PHE 42 Cb 0.39 -0.13 0.23 0.00 -0.01 0.00 0.00 39.48 39.96 4hhb n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 4hhb n GLU 43 N -1.16 2.07 0.06 -1.08 0.28 -1.25 -1.92 120.64 117.64 4hhb n GLU 43 Ca 0.12 -1.65 -0.12 0.00 -0.16 0.00 0.00 57.16 55.35 4hhb n GLU 43 Cb 0.55 -1.38 -0.08 0.00 1.43 0.00 0.00 31.44 31.97 4hhb n GLU 43 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 4hhb h SER 44 N 2.79 -1.25 0.00 -1.84 4.64 -1.94 -3.20 113.55 112.74 4hhb h SER 44 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 4hhb h SER 44 Cb 0.63 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 4hhb h SER 44 CO 0.00 -0.41 0.18 0.49 -0.87 0.00 0.00 176.83 176.22 4hhb n PHE 45 N -4.75 0.00 -0.26 4.77 0.99 -0.81 -5.02 117.46 112.38 4hhb n PHE 45 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 4hhb n PHE 45 Cb 0.31 -0.28 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 4hhb n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 4hhb n GLY 46 N -1.26 1.00 3.50 1.37 0.00 -1.21 -4.79 105.19 103.81 4hhb n GLY 46 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 4hhb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 4hhb s ASP 47 N -4.00 6.22 -0.27 1.61 3.68 -1.26 -4.84 116.67 117.81 4hhb s ASP 47 Ca 0.00 -0.51 0.12 0.00 2.13 0.00 0.00 52.55 54.29 4hhb s ASP 47 Cb 0.00 -2.23 0.65 0.00 -1.45 0.00 0.00 42.92 39.89 4hhb s ASP 47 CO 0.00 -0.55 1.64 0.18 0.13 0.00 0.00 175.17 176.57 4hhb n LEU 48 N 5.64 5.13 -3.30 -1.34 4.77 -1.26 -4.29 117.00 122.36 4hhb n LEU 48 Ca -0.07 -3.23 -0.26 0.00 -0.03 0.00 0.00 56.01 52.42 4hhb n LEU 48 Cb 0.48 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 4hhb n LEU 48 CO 0.46 0.82 0.04 -1.54 -1.33 0.00 0.00 177.39 175.85 4hhb n SER 49 N -0.36 3.46 -3.84 -1.43 3.41 -1.26 -4.79 113.62 108.81 4hhb n SER 49 Ca 0.33 -3.40 -0.10 0.00 -0.26 0.00 0.00 58.87 55.44 4hhb n SER 49 Cb 1.18 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 4hhb n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 4hhb s THR 50 N -2.74 0.00 0.21 6.66 -4.23 -1.26 -5.04 115.64 109.25 4hhb s THR 50 Ca 0.41 -1.40 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 4hhb s THR 50 Cb 0.18 -2.29 -0.07 0.00 1.34 0.00 0.00 72.50 71.66 4hhb s THR 50 CO -0.05 0.00 1.51 -0.65 -0.54 0.00 0.00 174.62 174.89 4hhb h PRO 51 N 2.22 0.25 -0.53 3.99 0.11 -1.99 -0.84 132.00 135.22 4hhb h PRO 51 Ca -0.26 -0.20 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 4hhb h PRO 51 Cb 1.25 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 4hhb h PRO 51 CO 0.36 0.83 0.16 -0.44 -0.21 0.00 0.00 178.00 178.70 4hhb h ASP 52 N 0.18 0.77 -0.67 -2.05 5.19 -1.98 0.36 116.42 118.23 4hhb h ASP 52 Ca -0.02 -0.21 0.08 0.00 -0.62 0.00 0.00 57.03 56.26 4hhb h ASP 52 Cb 1.21 -0.20 -0.07 0.00 0.18 0.00 0.00 39.33 40.45 4hhb h ASP 52 CO 0.11 0.78 0.33 0.00 -3.12 0.00 0.00 179.24 177.33 4hhb h ALA 53 N 1.02 0.90 0.12 3.45 0.00 -1.67 -0.69 119.26 122.39 4hhb h ALA 53 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 4hhb h ALA 53 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 4hhb h ALA 53 CO -0.00 -0.06 -0.06 0.28 0.00 0.00 0.00 179.25 179.41 4hhb h VAL 54 N 0.57 1.00 0.00 0.00 2.07 -0.62 -2.52 116.25 116.75 4hhb h VAL 54 Ca 0.32 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 4hhb h VAL 54 Cb 0.31 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 4hhb h VAL 54 CO -0.25 0.12 -0.46 0.24 0.02 0.00 0.00 177.57 177.24 4hhb h MET 55 N -0.38 0.00 -1.04 1.57 2.07 -0.12 -2.80 114.93 114.23 4hhb h MET 55 Ca -0.02 0.00 -0.64 0.00 -2.07 0.00 0.00 59.70 56.97 4hhb h MET 55 Cb 0.31 0.00 -0.34 0.00 -1.87 0.00 0.00 31.60 29.70 4hhb h MET 55 CO 0.03 0.46 0.30 0.41 1.07 0.00 0.00 176.91 179.17 4hhb n GLY 56 N 0.25 6.01 3.57 8.32 0.00 -0.28 -4.89 105.19 118.17 4hhb n GLY 56 Ca -0.01 -2.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.19 4hhb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 4hhb s ASN 57 N -2.39 5.68 0.37 1.61 3.84 -0.96 -4.88 114.94 118.21 4hhb s ASN 57 Ca 0.59 -0.02 0.08 0.00 0.21 0.00 0.00 52.86 53.72 4hhb s ASN 57 Cb 0.47 -2.02 0.82 0.00 -0.55 0.00 0.00 41.25 39.97 4hhb s ASN 57 CO -0.04 0.03 1.93 1.55 -2.79 0.00 0.00 177.10 177.78 4hhb h PRO 58 N 7.76 0.66 0.00 0.43 0.13 -1.90 -1.55 132.00 137.53 4hhb h PRO 58 Ca -0.37 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.62 4hhb h PRO 58 Cb 1.18 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 4hhb h PRO 58 CO 0.62 0.43 -0.46 0.87 -0.23 0.00 0.00 178.00 179.23 4hhb h LYS 59 N 0.68 0.00 0.32 0.86 6.56 -1.90 -0.96 116.57 122.13 4hhb h LYS 59 Ca 0.36 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.93 4hhb h LYS 59 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.14 4hhb h LYS 59 CO -0.13 0.46 -0.15 0.28 -2.06 0.00 0.00 179.45 177.84 4hhb h VAL 60 N 0.00 0.00 -0.27 0.50 2.07 -1.76 0.46 116.25 117.25 4hhb h VAL 60 Ca -0.00 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.55 4hhb h VAL 60 Cb 1.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 4hhb h VAL 60 CO 0.06 0.00 0.22 0.11 0.02 0.00 0.00 177.57 177.98 4hhb h LYS 61 N -0.47 0.00 -0.03 1.57 1.57 -1.29 0.16 116.57 118.08 4hhb h LYS 61 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 4hhb h LYS 61 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 4hhb h LYS 61 CO 0.07 0.00 -0.04 0.00 -0.57 0.00 0.00 179.45 178.91 4hhb h ALA 62 N 1.80 0.05 -0.55 3.86 0.00 -0.85 -1.34 119.26 122.24 4hhb h ALA 62 Ca 0.13 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.84 4hhb h ALA 62 Cb 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 4hhb h ALA 62 CO -0.00 -0.15 0.37 1.25 0.00 0.00 0.00 179.25 180.72 4hhb h HIS 63 N -0.42 0.38 -0.58 0.00 6.17 0.24 -2.68 115.15 118.26 4hhb h HIS 63 Ca 0.00 0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.04 4hhb h HIS 63 Cb 0.58 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 30.36 4hhb h HIS 63 CO 0.11 0.18 0.16 0.78 0.71 0.00 0.00 177.93 179.88 4hhb h GLY 64 N 0.36 0.95 0.89 5.26 0.00 0.19 0.32 103.07 111.04 4hhb h GLY 64 Ca 0.25 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.08 4hhb h GLY 64 CO -0.06 0.50 0.60 0.07 0.00 0.00 0.00 176.54 177.65 4hhb h LYS 65 N 0.85 1.14 0.18 4.80 2.10 -1.18 0.01 116.57 124.48 4hhb h LYS 65 Ca 0.19 -0.07 -0.31 0.00 -2.00 0.00 0.00 60.65 58.46 4hhb h LYS 65 Cb 0.27 -0.26 0.03 0.00 -0.90 0.00 0.00 32.23 31.37 4hhb h LYS 65 CO -0.01 0.75 -1.35 -0.22 -2.00 0.00 0.00 179.45 176.63 4hhb h LYS 66 N 1.18 0.47 -0.58 0.07 3.64 -0.87 -2.20 116.57 118.28 4hhb h LYS 66 Ca 0.36 -0.75 -0.04 0.00 -1.27 0.00 0.00 60.65 58.95 4hhb h LYS 66 Cb -0.02 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 4hhb h LYS 66 CO -0.11 1.35 0.22 0.28 -2.27 0.00 0.00 179.45 178.92 4hhb h VAL 67 N 0.15 1.23 -0.47 2.00 2.07 -0.31 -2.55 116.25 118.37 4hhb h VAL 67 Ca -0.20 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 4hhb h VAL 67 Cb 2.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 4hhb h VAL 67 CO 0.24 0.28 -0.05 0.25 0.02 0.00 0.00 177.57 178.31 4hhb h LEU 68 N 0.81 0.78 -1.11 2.57 7.12 -1.05 -1.04 115.31 123.39 4hhb h LEU 68 Ca 0.19 -0.21 0.05 0.00 0.13 0.00 0.00 57.88 58.04 4hhb h LEU 68 Cb 0.22 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.08 4hhb h LEU 68 CO -0.01 0.88 0.60 1.23 -0.13 0.00 0.00 178.44 181.01 4hhb h GLY 69 N 0.98 1.35 0.93 3.75 0.00 -1.40 -0.23 103.07 108.44 4hhb h GLY 69 Ca 0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 4hhb h GLY 69 CO 0.03 0.34 0.13 0.00 0.00 0.00 0.00 176.54 177.04 4hhb h ALA 70 N 1.48 0.37 -0.91 3.60 0.00 -1.02 -0.96 119.26 121.82 4hhb h ALA 70 Ca 0.38 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.25 4hhb h ALA 70 Cb 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 4hhb h ALA 70 CO -0.13 -0.06 0.59 0.35 0.00 0.00 0.00 179.25 180.00 4hhb h PHE 71 N 0.33 1.07 0.27 0.00 3.57 -1.01 -1.48 116.94 119.68 4hhb h PHE 71 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 4hhb h PHE 71 Cb 0.14 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 4hhb h PHE 71 CO -0.02 0.57 -0.42 1.03 -2.23 0.00 0.00 178.31 177.24 4hhb h SER 72 N 1.06 -1.21 -0.71 0.41 0.87 -0.73 -1.57 113.55 111.67 4hhb h SER 72 Ca 0.39 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 4hhb h SER 72 Cb 0.16 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 4hhb h SER 72 CO -0.14 -0.51 0.45 0.44 -0.53 0.00 0.00 176.83 176.54 4hhb h ASP 73 N -0.73 0.83 -1.49 6.23 5.19 -0.89 -0.31 116.42 125.25 4hhb h ASP 73 Ca -0.03 -0.04 0.46 0.00 -0.62 0.00 0.00 57.03 56.80 4hhb h ASP 73 Cb 0.67 -0.21 -0.10 0.00 0.18 0.00 0.00 39.33 39.87 4hhb h ASP 73 CO -0.13 0.62 1.02 1.23 -3.12 0.00 0.00 179.24 178.86 4hhb h GLY 74 N 0.96 0.73 2.00 2.75 0.00 -0.26 -2.52 103.07 106.73 4hhb h GLY 74 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.52 4hhb h GLY 74 CO -0.05 -0.21 0.00 1.04 0.00 0.00 0.00 176.54 177.31 4hhb n LEU 75 N -4.39 0.51 -0.44 3.11 4.77 -0.13 -0.91 117.00 119.52 4hhb n LEU 75 Ca 0.37 0.60 0.10 0.00 -0.03 0.00 0.00 56.01 57.05 4hhb n LEU 75 Cb 1.57 -0.49 0.38 0.00 -2.33 0.00 0.00 43.42 42.55 4hhb n LEU 75 CO 0.31 -0.35 0.77 0.00 -1.33 0.00 0.00 177.39 176.79 4hhb n ALA 76 N -1.70 2.53 -2.60 -1.18 0.00 -0.95 -4.08 120.51 112.53 4hhb n ALA 76 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 4hhb n ALA 76 Cb 0.28 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.63 4hhb n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 4hhb n HIS 77 N 0.10 1.82 1.78 0.00 8.25 -0.09 -4.88 115.22 122.20 4hhb n HIS 77 Ca 0.15 -2.80 0.15 0.00 -0.26 0.00 0.00 57.72 54.96 4hhb n HIS 77 Cb 0.27 -0.29 0.78 0.00 1.12 0.00 0.00 29.99 31.87 4hhb n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 4hhb n LEU 78 N -0.24 0.52 0.08 2.41 4.77 -1.21 -0.33 117.00 122.99 4hhb n LEU 78 Ca 0.18 -0.15 0.05 0.00 -0.03 0.00 0.00 56.01 56.06 4hhb n LEU 78 Cb 0.78 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.83 4hhb n LEU 78 CO 0.27 0.09 -0.02 0.44 -1.33 0.00 0.00 177.39 176.84 4hhb h ASP 79 N 0.80 0.00 -1.74 -1.43 3.45 -1.90 -1.29 116.42 114.31 4hhb h ASP 79 Ca 0.00 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 57.01 4hhb h ASP 79 Cb 0.19 0.00 -0.37 0.00 -0.56 0.00 0.00 39.33 38.59 4hhb h ASP 79 CO 0.00 0.34 -1.11 -3.20 -1.57 0.00 0.00 179.24 173.70 4hhb n ASN 80 N -2.88 0.47 -0.16 6.45 5.15 0.55 -4.72 115.26 120.13 4hhb n ASN 80 Ca -0.04 -3.08 -0.08 0.00 -0.60 0.00 0.00 54.58 50.78 4hhb n ASN 80 Cb 0.71 -0.32 0.01 0.00 -0.53 0.00 0.00 39.78 39.65 4hhb n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 4hhb h LEU 81 N 3.00 0.61 -1.33 1.20 3.38 -1.64 -2.55 115.31 117.98 4hhb h LEU 81 Ca 0.07 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 4hhb h LEU 81 Cb 0.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 4hhb h LEU 81 CO 0.46 0.57 -0.30 0.11 0.09 0.00 0.00 178.44 179.37 4hhb h LYS 82 N 0.61 0.05 -0.13 1.13 1.57 -1.91 0.84 116.57 118.73 4hhb h LYS 82 Ca 0.16 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.73 4hhb h LYS 82 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 4hhb h LYS 82 CO -0.02 0.35 -0.72 0.78 -0.57 0.00 0.00 179.45 179.27 4hhb h GLY 83 N 0.95 0.64 -0.94 3.86 0.00 -1.95 -1.97 103.07 103.66 4hhb h GLY 83 Ca 0.00 -0.88 0.13 0.00 0.00 0.00 0.00 47.33 46.58 4hhb h GLY 83 CO 0.04 0.78 -0.43 2.41 0.00 0.00 0.00 176.54 179.34 4hhb n THR 84 N -3.89 -0.54 1.19 4.70 -1.04 -0.95 -3.33 114.28 110.42 4hhb n THR 84 Ca -0.05 2.24 0.13 0.00 -2.04 0.00 0.00 64.05 64.32 4hhb n THR 84 Cb 0.71 -2.89 0.31 0.00 -1.82 0.00 0.00 70.33 66.63 4hhb n THR 84 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 4hhb n PHE 85 N -5.32 0.00 -0.05 -1.42 3.01 0.25 -4.66 117.46 109.26 4hhb n PHE 85 Ca 0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 4hhb n PHE 85 Cb 0.34 -0.11 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 4hhb n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 4hhb h ALA 86 N 3.68 -0.13 0.00 4.37 0.00 -1.35 0.11 119.26 125.93 4hhb h ALA 86 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 4hhb h ALA 86 Cb 0.55 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 4hhb h ALA 86 CO 0.00 -0.67 -0.52 1.15 0.00 0.00 0.00 179.25 179.21 4hhb h THR 87 N -0.25 1.18 -0.06 0.00 2.02 -1.83 -2.34 112.91 111.64 4hhb h THR 87 Ca 0.14 -1.91 -0.05 0.00 0.77 0.00 0.00 66.41 65.35 4hhb h THR 87 Cb 0.46 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 4hhb h THR 87 CO -0.39 0.51 -0.21 -0.07 0.37 0.00 0.00 175.52 175.73 4hhb h LEU 88 N 0.00 0.09 0.13 2.58 3.38 -1.75 -1.51 115.31 118.22 4hhb h LEU 88 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 4hhb h LEU 88 Cb 1.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 4hhb h LEU 88 CO 0.07 0.31 -0.24 -1.28 0.09 0.00 0.00 178.44 177.39 4hhb h SER 89 N 0.09 -0.67 -0.75 -0.43 0.87 -0.36 0.58 113.55 112.88 4hhb h SER 89 Ca 0.02 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 60.78 4hhb h SER 89 Cb 0.43 0.25 -0.13 0.00 -0.44 0.00 0.00 62.40 62.51 4hhb h SER 89 CO 0.03 -0.33 -0.26 -0.62 -0.53 0.00 0.00 176.83 175.12 4hhb n GLU 90 N -5.36 -0.14 -0.00 2.24 1.02 -0.92 -0.78 120.64 116.70 4hhb n GLU 90 Ca -0.07 1.16 -0.10 0.00 -0.02 0.00 0.00 57.16 58.13 4hhb n GLU 90 Cb 0.27 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 4hhb n GLU 90 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 4hhb h LEU 91 N 0.00 0.01 -0.47 -4.62 5.85 -1.07 0.48 115.31 115.48 4hhb h LEU 91 Ca 0.30 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.03 4hhb h LEU 91 Cb 0.48 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.53 4hhb h LEU 91 CO -0.76 0.02 0.00 0.45 -0.34 0.00 0.00 178.44 177.82 4hhb h HIS 92 N 0.07 0.00 0.11 1.25 3.86 -0.01 -0.83 115.15 119.60 4hhb h HIS 92 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 4hhb h HIS 92 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 4hhb h HIS 92 CO -0.11 0.00 -0.05 0.00 0.86 0.00 0.00 177.93 178.62 4hhb h ASP 94 N -1.02 0.00 0.00 0.00 3.32 -0.05 -3.20 116.42 115.47 4hhb h ASP 94 Ca -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 4hhb h ASP 94 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 4hhb h ASP 94 CO 0.02 0.84 -1.49 0.29 -1.72 0.00 0.00 179.24 177.18 4hhb n LYS 95 N -3.20 1.31 0.12 3.56 4.76 -0.71 -4.70 118.16 119.31 4hhb n LYS 95 Ca -0.04 -0.05 0.04 0.00 -2.87 0.00 0.00 58.31 55.39 4hhb n LYS 95 Cb 0.91 -1.22 0.01 0.00 -1.84 0.00 0.00 35.03 32.89 4hhb n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 4hhb h LEU 96 N 0.00 0.00 -1.45 -0.35 3.38 -1.24 -3.49 115.31 112.16 4hhb h LEU 96 Ca -0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 4hhb h LEU 96 Cb 0.91 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.78 4hhb h LEU 96 CO 0.01 0.38 -0.55 1.41 0.09 0.00 0.00 178.44 179.77 4hhb n HIS 97 N -3.04 -1.81 -3.77 1.13 8.25 0.47 -4.98 115.22 111.47 4hhb n HIS 97 Ca -0.01 0.72 -0.36 0.00 -0.26 0.00 0.00 57.72 57.81 4hhb n HIS 97 Cb 0.71 -4.21 -0.11 0.00 1.12 0.00 0.00 29.99 27.50 4hhb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 4hhb s VAL 98 N -3.26 4.88 0.11 1.59 1.01 -0.48 -5.02 120.40 119.24 4hhb s VAL 98 Ca 0.15 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 4hhb s VAL 98 Cb -0.07 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 4hhb s VAL 98 CO 0.54 0.35 1.29 -0.62 0.00 0.00 0.00 175.10 176.67 4hhb s ASP 99 N 1.19 6.95 0.00 3.32 3.68 -1.26 -4.77 116.67 125.78 4hhb s ASP 99 Ca 0.06 2.22 0.14 0.00 2.13 0.00 0.00 52.55 57.10 4hhb s ASP 99 Cb -0.14 -2.59 0.83 0.00 -1.45 0.00 0.00 42.92 39.57 4hhb s ASP 99 CO 0.05 -0.54 1.31 -2.65 0.13 0.00 0.00 175.17 173.46 4hhb n PRO 100 N 3.63 0.39 0.24 4.34 -0.02 -1.26 -1.10 135.00 141.22 4hhb n PRO 100 Ca 0.09 0.04 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 4hhb n PRO 100 Cb 0.44 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 33.00 4hhb n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 4hhb h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.99 -1.49 114.58 115.15 4hhb h GLU 101 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 4hhb h GLU 101 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 4hhb h GLU 101 CO 0.00 0.15 -0.30 -0.91 -1.18 0.00 0.00 179.01 176.77 4hhb h ASN 102 N 0.00 0.00 -0.33 1.04 2.35 -1.48 -0.35 115.58 116.82 4hhb h ASN 102 Ca -0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 4hhb h ASN 102 Cb 0.29 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 4hhb h ASN 102 CO 0.02 0.30 0.13 -0.26 -1.65 0.00 0.00 177.43 175.96 4hhb h PHE 103 N 0.00 0.23 -0.05 1.19 0.04 -1.47 0.12 116.94 117.00 4hhb h PHE 103 Ca -0.00 0.02 -0.19 0.00 2.80 0.00 0.00 57.97 60.60 4hhb h PHE 103 Cb 0.68 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 4hhb h PHE 103 CO 0.00 0.11 -0.77 0.00 -0.60 0.00 0.00 178.31 177.05 4hhb h ARG 104 N 0.28 0.35 -0.62 1.51 3.08 -1.06 -1.87 114.38 116.04 4hhb h ARG 104 Ca 0.14 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 4hhb h ARG 104 Cb 0.10 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 4hhb h ARG 104 CO -0.13 0.96 0.34 -0.07 -1.07 0.00 0.00 179.97 179.99 4hhb h LEU 105 N 0.23 0.78 -0.74 3.04 3.38 -1.20 -0.48 115.31 120.32 4hhb h LEU 105 Ca -0.04 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 4hhb h LEU 105 Cb 1.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 4hhb h LEU 105 CO 0.13 0.66 0.05 0.25 0.09 0.00 0.00 178.44 179.62 4hhb h LEU 106 N 0.85 0.98 -0.73 1.67 5.85 -0.56 -1.55 115.31 121.82 4hhb h LEU 106 Ca 0.22 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 4hhb h LEU 106 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 4hhb h LEU 106 CO -0.03 1.00 -0.46 1.23 -0.34 0.00 0.00 178.44 179.83 4hhb h GLY 107 N 1.02 0.44 1.60 3.75 0.00 -0.96 0.11 103.07 109.04 4hhb h GLY 107 Ca 0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 4hhb h GLY 107 CO 0.02 0.42 -0.78 3.43 0.00 0.00 0.00 176.54 179.62 4hhb h ASN 108 N 0.33 0.00 0.62 0.19 2.35 -0.47 -2.29 115.58 116.30 4hhb h ASN 108 Ca 0.02 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 4hhb h ASN 108 Cb 0.94 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 4hhb h ASN 108 CO 0.08 0.44 -0.66 0.58 -1.65 0.00 0.00 177.43 176.22 4hhb h VAL 109 N 0.00 1.46 -0.14 2.81 2.07 -0.78 -2.65 116.25 119.03 4hhb h VAL 109 Ca -0.05 -2.24 0.05 0.00 0.82 0.00 0.00 66.70 65.28 4hhb h VAL 109 Cb 1.38 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 33.30 4hhb h VAL 109 CO 0.05 0.64 -0.22 0.25 0.02 0.00 0.00 177.57 178.31 4hhb h LEU 110 N 0.02 -0.67 -0.13 2.57 5.85 -0.61 0.24 115.31 122.59 4hhb h LEU 110 Ca -0.01 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 4hhb h LEU 110 Cb 1.17 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 4hhb h LEU 110 CO 0.09 -0.27 -0.22 0.58 -0.34 0.00 0.00 178.44 178.28 4hhb h VAL 111 N -0.27 0.45 -0.48 1.05 2.07 -1.21 -0.57 116.25 117.29 4hhb h VAL 111 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 4hhb h VAL 111 Cb 0.42 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 4hhb h VAL 111 CO -0.30 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.56 4hhb h VAL 113 N 0.64 1.32 -0.10 0.00 2.07 0.02 -0.55 116.25 119.64 4hhb h VAL 113 Ca 0.17 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.13 4hhb h VAL 113 Cb 0.05 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 4hhb h VAL 113 CO -0.03 0.49 -0.17 -0.07 0.02 0.00 0.00 177.57 177.81 4hhb h LEU 114 N 0.30 -0.52 -0.85 2.57 3.38 -0.85 -0.60 115.31 118.73 4hhb h LEU 114 Ca 0.02 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.15 4hhb h LEU 114 Cb 0.89 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 4hhb h LEU 114 CO 0.07 -0.22 0.52 0.00 0.09 0.00 0.00 178.44 178.91 4hhb h ALA 115 N 0.78 1.18 -0.20 1.53 0.00 -0.54 -0.11 119.26 121.90 4hhb h ALA 115 Ca 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 4hhb h ALA 115 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 4hhb h ALA 115 CO -0.23 0.25 -0.03 1.25 0.00 0.00 0.00 179.25 180.49 4hhb h HIS 116 N 0.95 0.41 -0.45 0.00 -0.00 -0.54 0.10 115.15 115.62 4hhb h HIS 116 Ca 0.38 -0.08 0.09 0.00 -0.00 0.00 0.00 60.37 60.75 4hhb h HIS 116 Cb 0.20 -0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.43 4hhb h HIS 116 CO -0.04 0.60 -0.01 0.45 -0.00 0.00 0.00 177.93 178.93 4hhb h HIS 117 N 0.10 -0.05 0.00 5.26 -0.00 -1.03 -3.34 115.15 116.09 4hhb h HIS 117 Ca 0.05 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.32 4hhb h HIS 117 Cb 0.46 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 4hhb h HIS 117 CO 0.05 -0.11 -1.61 1.19 -0.00 0.00 0.00 177.93 177.44 4hhb n PHE 118 N -5.23 0.64 0.00 2.45 3.01 -0.06 -5.03 117.46 113.24 4hhb n PHE 118 Ca 0.04 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.70 4hhb n PHE 118 Cb 0.24 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.77 4hhb n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4hhb n GLY 119 N 1.39 3.64 0.01 1.37 0.00 0.36 -2.39 105.19 109.57 4hhb n GLY 119 Ca -0.11 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 45.98 4hhb n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 4hhb n LYS 120 N 13.91 0.37 0.26 1.61 2.85 -1.26 -0.11 118.16 135.79 4hhb n LYS 120 Ca 0.00 -0.03 0.17 0.00 -1.05 0.00 0.00 58.31 57.40 4hhb n LYS 120 Cb 0.00 -1.50 0.66 0.00 -0.65 0.00 0.00 35.03 33.54 4hhb n LYS 120 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 4hhb h GLU 121 N 0.06 0.00 -4.44 -1.58 4.81 -1.87 -3.34 114.58 108.22 4hhb h GLU 121 Ca 0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 4hhb h GLU 121 Cb 0.34 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.54 4hhb h GLU 121 CO 0.00 0.00 1.41 0.34 -0.73 0.00 0.00 179.01 180.03 4hhb n PHE 122 N -2.98 4.60 -1.05 0.92 7.35 0.85 -4.94 117.46 122.22 4hhb n PHE 122 Ca 0.01 -3.28 -0.29 0.00 -0.76 0.00 0.00 57.45 53.12 4hhb n PHE 122 Cb 0.30 -2.10 0.21 0.00 0.35 0.00 0.00 39.48 38.23 4hhb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 4hhb s THR 123 N 1.11 1.85 0.15 -2.13 -4.23 -1.26 -4.68 115.64 106.46 4hhb s THR 123 Ca 0.41 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.78 4hhb s THR 123 Cb -0.01 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.42 4hhb s THR 123 CO -0.00 0.00 1.67 -0.65 -0.54 0.00 0.00 174.62 175.10 4hhb h PRO 124 N -2.26 0.73 -0.68 3.99 0.11 -1.93 -0.45 132.00 131.51 4hhb h PRO 124 Ca -0.53 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 65.41 4hhb h PRO 124 Cb 1.32 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 4hhb h PRO 124 CO 0.49 0.69 0.33 -1.35 -0.21 0.00 0.00 178.00 177.95 4hhb h PRO 125 N 0.63 0.98 0.00 1.05 0.11 -1.99 -1.10 132.00 131.68 4hhb h PRO 125 Ca 0.15 -0.15 -0.19 0.00 0.11 0.00 0.00 66.00 65.93 4hhb h PRO 125 Cb 0.26 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 4hhb h PRO 125 CO -0.01 0.78 -0.90 0.28 -0.21 0.00 0.00 178.00 177.94 4hhb h VAL 126 N 0.95 1.64 -0.37 3.15 2.07 -1.75 -2.68 116.25 119.26 4hhb h VAL 126 Ca 0.23 -3.08 0.03 0.00 0.82 0.00 0.00 66.70 64.70 4hhb h VAL 126 Cb 0.12 2.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 4hhb h VAL 126 CO -0.03 0.88 -0.23 -0.61 0.02 0.00 0.00 177.57 177.60 4hhb h GLN 127 N 0.00 -0.02 -0.90 1.57 4.15 -0.89 -1.22 115.11 117.81 4hhb h GLN 127 Ca -0.01 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.66 4hhb h GLN 127 Cb 1.59 0.00 -0.15 0.00 0.21 0.00 0.00 27.48 29.14 4hhb h GLN 127 CO 0.12 -0.01 0.22 0.00 -1.93 0.00 0.00 178.83 177.23 4hhb h ALA 128 N -0.44 1.31 -0.38 3.38 0.00 -1.08 0.26 119.26 122.31 4hhb h ALA 128 Ca 0.06 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 4hhb h ALA 128 Cb 0.17 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 4hhb h ALA 128 CO -0.36 -0.51 -0.18 0.00 0.00 0.00 0.00 179.25 178.20 4hhb h ALA 129 N 1.83 0.53 0.00 0.00 0.00 -1.24 -2.32 119.26 118.05 4hhb h ALA 129 Ca 0.58 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 4hhb h ALA 129 Cb 1.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 4hhb h ALA 129 CO -0.70 0.47 -0.27 1.88 0.00 0.00 0.00 179.25 180.62 4hhb h TYR 130 N 0.58 0.00 -0.56 0.00 0.05 -0.51 -2.09 116.97 114.44 4hhb h TYR 130 Ca 0.08 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.89 4hhb h TYR 130 Cb 0.73 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 4hhb h TYR 130 CO 0.06 0.27 0.37 1.96 -1.05 0.00 0.00 178.16 179.77 4hhb h GLN 131 N 0.00 0.66 -0.34 4.88 1.08 -0.76 -0.54 115.11 120.09 4hhb h GLN 131 Ca -0.00 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 4hhb h GLN 131 Cb 0.94 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 4hhb h GLN 131 CO 0.04 0.43 0.03 0.87 -0.95 0.00 0.00 178.83 179.25 4hhb h LYS 132 N 0.68 0.57 -0.44 1.46 1.57 -0.86 -0.02 116.57 119.53 4hhb h LYS 132 Ca 0.22 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 4hhb h LYS 132 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 4hhb h LYS 132 CO -0.06 0.68 -0.06 0.28 -0.57 0.00 0.00 179.45 179.72 4hhb h VAL 133 N 0.39 1.27 -0.05 0.50 2.07 -0.85 -0.99 116.25 118.60 4hhb h VAL 133 Ca 0.10 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 4hhb h VAL 133 Cb 0.40 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 4hhb h VAL 133 CO 0.01 0.39 -0.03 -0.37 0.02 0.00 0.00 177.57 177.59 4hhb h VAL 134 N 0.66 1.34 -0.78 2.57 -1.51 -0.98 0.16 116.25 117.71 4hhb h VAL 134 Ca 0.12 -1.07 0.09 0.00 -1.23 0.00 0.00 66.70 64.61 4hhb h VAL 134 Cb 0.58 1.96 -0.07 0.00 -2.13 0.00 0.00 31.29 31.63 4hhb h VAL 134 CO 0.03 0.29 0.43 0.00 -1.23 0.00 0.00 177.57 177.10 4hhb h ALA 135 N 0.59 1.09 0.33 5.19 0.00 -0.76 -2.21 119.26 123.49 4hhb h ALA 135 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 4hhb h ALA 135 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 4hhb h ALA 135 CO 0.01 0.06 -0.26 0.78 0.00 0.00 0.00 179.25 179.85 4hhb h GLY 136 N 0.74 -0.62 1.45 0.00 0.00 -0.70 -0.57 103.07 103.37 4hhb h GLY 136 Ca 0.37 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 4hhb h GLY 136 CO -0.24 -0.24 0.16 -2.08 0.00 0.00 0.00 176.54 174.14 4hhb h VAL 137 N -0.59 1.19 0.42 4.60 2.07 -0.69 -0.26 116.25 123.00 4hhb h VAL 137 Ca -0.02 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 4hhb h VAL 137 Cb 0.52 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 4hhb h VAL 137 CO -0.01 0.24 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 4hhb h ALA 138 N 1.49 -0.69 0.00 1.67 0.00 -1.23 -0.82 119.26 119.67 4hhb h ALA 138 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 4hhb h ALA 138 Cb 0.19 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.35 4hhb h ALA 138 CO -0.01 -0.91 0.00 -0.91 0.00 0.00 0.00 179.25 177.42 4hhb h ASN 139 N -0.69 0.00 0.54 0.00 4.21 -1.01 -1.31 115.58 117.31 4hhb h ASN 139 Ca -0.04 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.18 4hhb h ASN 139 Cb 0.58 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 4hhb h ASN 139 CO 0.02 0.00 -1.49 0.00 -1.29 0.00 0.00 177.43 174.68 4hhb h ALA 140 N 2.09 0.38 -0.69 -0.83 0.00 -0.42 -2.17 119.26 117.61 4hhb h ALA 140 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 54.91 53.84 4hhb h ALA 140 Cb 0.32 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 4hhb h ALA 140 CO 0.00 1.24 0.36 -0.07 0.00 0.00 0.00 179.25 180.78 4hhb h LEU 141 N 0.05 0.49 0.00 0.00 3.38 -1.00 -2.94 115.31 115.29 4hhb h LEU 141 Ca -0.22 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.80 4hhb h LEU 141 Cb 1.98 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.68 4hhb h LEU 141 CO 0.14 0.30 -0.33 0.00 0.09 0.00 0.00 178.44 178.64 4hhb n ALA 142 N -2.39 2.69 -0.34 1.53 0.00 -0.51 -4.42 120.51 117.08 4hhb n ALA 142 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.40 4hhb n ALA 142 Cb 0.23 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.55 4hhb n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 4hhb h HIS 143 N 0.00 1.09 -0.05 0.00 6.17 -1.22 -2.69 115.15 118.45 4hhb h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 4hhb h HIS 143 Cb 0.70 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 30.28 4hhb h HIS 143 CO 0.00 0.53 0.00 1.63 0.71 0.00 0.00 177.93 180.80 4hhb n LYS 144 N -4.58 2.10 -1.17 5.26 4.76 -1.26 -4.91 118.16 118.35 4hhb n LYS 144 Ca 0.15 -1.60 -0.46 0.00 -2.87 0.00 0.00 58.31 53.53 4hhb n LYS 144 Cb 0.22 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 4hhb n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 4hhb n TYR 145 N 0.94 0.45 -1.71 2.13 0.53 -1.02 -4.74 117.16 113.73 4hhb n TYR 145 Ca 0.16 0.83 0.00 0.00 -1.02 0.00 0.00 57.90 57.87 4hhb n TYR 145 Cb 0.51 -1.64 0.00 0.00 -1.03 0.00 0.00 39.34 37.19 4hhb n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45