#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4hhb s LEU 2 N 0.00 4.08 0.00 7.52 2.01 -1.26 -5.05 118.68 125.99 4hhb s LEU 2 Ca 0.00 0.52 -0.15 0.00 0.01 0.00 0.00 54.13 54.51 4hhb s LEU 2 Cb 0.00 -2.62 0.23 0.00 0.01 0.00 0.00 46.19 43.81 4hhb s LEU 2 CO 0.00 -0.23 0.54 -1.54 1.01 0.00 0.00 176.35 176.14 4hhb n SER 3 N 5.23 -3.22 -0.77 2.29 3.41 -1.26 -4.79 113.62 114.50 4hhb n SER 3 Ca -0.05 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.11 4hhb n SER 3 Cb 0.50 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.90 4hhb n SER 3 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 4hhb n PRO 4 N -4.28 1.89 0.10 4.33 -0.02 -1.26 -0.31 135.00 135.45 4hhb n PRO 4 Ca 0.08 -1.56 0.07 0.00 -2.02 0.00 0.00 63.50 60.08 4hhb n PRO 4 Cb 0.37 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 4hhb n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4hhb h ALA 5 N 4.34 0.63 -0.32 3.55 0.00 -2.00 0.13 119.26 125.59 4hhb h ALA 5 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.69 4hhb h ALA 5 Cb 0.90 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 4hhb h ALA 5 CO 0.00 0.33 -0.31 -0.44 0.00 0.00 0.00 179.25 178.83 4hhb h ASP 6 N 0.00 -1.01 -0.43 0.00 3.32 -1.55 -0.48 116.42 116.26 4hhb h ASP 6 Ca -0.05 0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.30 4hhb h ASP 6 Cb 1.21 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 41.21 4hhb h ASP 6 CO 0.02 -0.32 0.32 0.11 -1.72 0.00 0.00 179.24 177.65 4hhb h LYS 7 N -0.28 0.00 -0.70 3.56 1.57 0.95 -0.80 116.57 120.87 4hhb h LYS 7 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 4hhb h LYS 7 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 4hhb h LYS 7 CO -0.48 0.00 0.43 1.15 -0.57 0.00 0.00 179.45 179.99 4hhb h THR 8 N 0.00 1.20 0.21 -0.16 2.02 0.12 0.28 112.91 116.58 4hhb h THR 8 Ca 0.20 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.97 4hhb h THR 8 Cb 0.84 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 4hhb h THR 8 CO -0.00 0.20 -0.20 0.78 0.37 0.00 0.00 175.52 176.67 4hhb h ASN 9 N 0.96 -0.53 -0.09 4.18 2.35 -0.48 -0.75 115.58 121.22 4hhb h ASN 9 Ca 0.25 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 4hhb h ASN 9 Cb -0.05 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 4hhb h ASN 9 CO -0.05 -0.30 0.06 0.58 -1.65 0.00 0.00 177.43 176.07 4hhb h VAL 10 N -0.44 1.03 0.00 2.81 2.07 -1.01 -1.98 116.25 118.74 4hhb h VAL 10 Ca -0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 4hhb h VAL 10 Cb 0.41 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 4hhb h VAL 10 CO -0.04 0.03 0.00 0.11 0.02 0.00 0.00 177.57 177.69 4hhb h LYS 11 N 0.11 0.00 -0.07 1.57 1.57 -0.26 0.28 116.57 119.77 4hhb h LYS 11 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 4hhb h LYS 11 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 4hhb h LYS 11 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 4hhb n ALA 12 N -1.89 2.05 0.07 3.86 0.00 -0.30 -1.10 120.51 123.18 4hhb n ALA 12 Ca 0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 4hhb n ALA 12 Cb 0.22 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 4hhb n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4hhb h ALA 13 N 0.44 0.24 0.00 0.00 0.00 -0.93 -2.57 119.26 116.44 4hhb h ALA 13 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 4hhb h ALA 13 Cb 0.54 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.65 4hhb h ALA 13 CO 0.00 1.11 0.00 2.35 0.00 0.00 0.00 179.25 182.71 4hhb h TRP 14 N 0.08 0.00 0.00 0.00 2.91 -0.45 -2.73 115.95 115.75 4hhb h TRP 14 Ca -0.27 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.75 4hhb h TRP 14 Cb 2.04 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 30.69 4hhb h TRP 14 CO 0.07 0.00 -0.09 0.78 -1.03 0.00 0.00 178.44 178.17 4hhb h GLY 15 N 2.88 0.00 0.00 2.65 0.00 -0.70 0.22 103.07 108.12 4hhb h GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 4hhb h GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 4hhb n LYS 16 N -4.72 0.00 -0.11 4.80 3.00 -1.12 -1.67 118.16 118.33 4hhb n LYS 16 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.20 4hhb n LYS 16 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 4hhb n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 4hhb h VAL 17 N 0.00 1.02 0.00 3.15 2.07 -0.36 -3.45 116.25 118.69 4hhb h VAL 17 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 4hhb h VAL 17 Cb 0.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 4hhb h VAL 17 CO 0.00 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.27 4hhb n GLY 18 N -1.20 2.80 0.92 2.17 0.00 0.03 -2.29 105.19 107.63 4hhb n GLY 18 Ca 0.00 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.42 4hhb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4hhb n ALA 19 N 10.84 2.27 0.13 4.61 0.00 -1.26 -3.21 120.51 133.88 4hhb n ALA 19 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 53.44 52.34 4hhb n ALA 19 Cb 0.00 -0.63 0.25 0.00 0.00 0.00 0.00 19.45 19.07 4hhb n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 4hhb n HIS 20 N 0.95 0.65 0.00 0.00 8.25 -0.97 -4.42 115.22 119.68 4hhb n HIS 20 Ca 0.17 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 4hhb n HIS 20 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 4hhb n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 4hhb n ALA 21 N 1.53 -0.06 -0.20 -1.41 0.00 -1.20 -1.27 120.51 117.90 4hhb n ALA 21 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 4hhb n ALA 21 Cb 0.61 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 20.25 4hhb n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4hhb n GLY 22 N -0.88 -1.17 0.28 0.00 0.00 -1.26 -1.24 105.19 100.91 4hhb n GLY 22 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.62 4hhb n GLY 22 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 4hhb h GLU 23 N 0.00 0.64 -0.22 1.61 4.81 -1.68 -2.75 114.58 116.99 4hhb h GLU 23 Ca 0.12 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 4hhb h GLU 23 Cb 0.24 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 4hhb h GLU 23 CO -0.48 0.42 -0.18 1.88 -0.73 0.00 0.00 179.01 179.93 4hhb h TYR 24 N 0.66 0.60 -0.81 0.92 0.99 -1.06 -1.97 116.97 116.29 4hhb h TYR 24 Ca 0.37 -0.17 0.07 0.00 2.00 0.00 0.00 58.73 61.00 4hhb h TYR 24 Cb 0.38 -0.13 -0.10 0.00 1.00 0.00 0.00 36.73 37.89 4hhb h TYR 24 CO -0.09 0.83 -0.48 0.41 -0.00 0.00 0.00 178.16 178.83 4hhb n GLY 25 N 0.11 -2.35 0.19 3.88 0.00 -0.38 -1.23 105.19 105.41 4hhb n GLY 25 Ca -0.05 1.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.95 4hhb n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4hhb h ALA 26 N 0.33 0.42 -0.74 4.61 0.00 -1.45 -1.77 119.26 120.66 4hhb h ALA 26 Ca 0.13 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 4hhb h ALA 26 Cb 0.33 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 4hhb h ALA 26 CO -0.76 -0.39 0.25 1.49 0.00 0.00 0.00 179.25 179.83 4hhb h GLU 27 N 0.10 1.14 -0.18 0.00 4.81 -1.15 -0.63 114.58 118.68 4hhb h GLU 27 Ca 0.23 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 4hhb h GLU 27 Cb 0.34 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 4hhb h GLU 27 CO -0.39 0.96 -0.29 0.00 -0.73 0.00 0.00 179.01 178.56 4hhb h ALA 28 N 1.13 -0.28 -0.35 2.92 0.00 -1.06 0.57 119.26 122.19 4hhb h ALA 28 Ca 0.24 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.25 4hhb h ALA 28 Cb 0.28 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 4hhb h ALA 28 CO -0.01 -0.75 0.04 -0.07 0.00 0.00 0.00 179.25 178.46 4hhb h LEU 29 N -0.34 -0.06 -0.87 0.00 3.38 -1.15 -0.70 115.31 115.58 4hhb h LEU 29 Ca 0.11 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.31 4hhb h LEU 29 Cb 0.51 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 4hhb h LEU 29 CO -0.37 0.00 0.45 -0.08 0.09 0.00 0.00 178.44 178.53 4hhb h GLU 30 N 0.14 0.59 -0.43 1.13 4.81 -0.69 -0.71 114.58 119.43 4hhb h GLU 30 Ca 0.17 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 4hhb h GLU 30 Cb 0.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 4hhb h GLU 30 CO -0.25 0.39 0.21 0.00 -0.73 0.00 0.00 179.01 178.64 4hhb h ARG 31 N 0.61 0.42 -0.44 1.92 3.08 -0.73 -2.24 114.38 117.00 4hhb h ARG 31 Ca 0.48 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.47 4hhb h ARG 31 Cb 0.71 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 4hhb h ARG 31 CO -0.38 0.27 0.13 1.98 -1.07 0.00 0.00 179.97 180.91 4hhb h MET 32 N 0.43 0.68 -0.44 0.04 4.05 -0.35 0.16 114.93 119.51 4hhb h MET 32 Ca 0.18 -0.15 0.12 0.00 -0.28 0.00 0.00 59.70 59.58 4hhb h MET 32 Cb 0.09 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 4hhb h MET 32 CO -0.13 0.67 0.31 0.74 0.23 0.00 0.00 176.91 178.73 4hhb h PHE 33 N 0.57 0.03 0.13 1.39 0.04 -1.06 0.48 116.94 118.52 4hhb h PHE 33 Ca 0.14 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.55 4hhb h PHE 33 Cb 0.27 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 4hhb h PHE 33 CO 0.01 0.02 -1.95 -0.07 -0.60 0.00 0.00 178.31 175.72 4hhb h LEU 34 N 0.03 0.42 0.00 1.54 3.38 -1.25 -3.32 115.31 116.11 4hhb h LEU 34 Ca 0.21 -0.94 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 4hhb h LEU 34 Cb 0.80 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 4hhb h LEU 34 CO -0.01 1.84 -1.15 0.28 0.09 0.00 0.00 178.44 179.49 4hhb h SER 35 N 0.03 0.00 -3.51 -0.43 0.02 -0.38 -3.40 113.55 105.88 4hhb h SER 35 Ca -0.41 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.92 4hhb h SER 35 Cb 2.01 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.15 4hhb h SER 35 CO 0.08 0.65 -0.73 -0.36 -1.14 0.00 0.00 176.83 175.33 4hhb s PHE 36 N -2.87 2.08 -0.20 3.45 0.40 0.13 -4.98 117.98 115.99 4hhb s PHE 36 Ca -0.01 -2.49 0.28 0.00 -0.60 0.00 0.00 56.93 54.11 4hhb s PHE 36 Cb 0.08 -1.94 1.21 0.00 0.51 0.00 0.00 43.02 42.88 4hhb s PHE 36 CO 0.80 -0.77 1.84 -1.00 0.70 0.00 0.00 175.22 176.78 4hhb h PRO 37 N 6.65 0.00 0.00 0.24 0.13 -1.73 -0.04 132.00 137.24 4hhb h PRO 37 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 4hhb h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 4hhb h PRO 37 CO 0.50 0.00 -0.01 1.79 -0.23 0.00 0.00 178.00 180.05 4hhb h THR 38 N 0.00 0.03 0.00 1.56 1.35 -1.91 -0.97 112.91 112.97 4hhb h THR 38 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 4hhb h THR 38 Cb 0.36 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 4hhb h THR 38 CO 0.00 0.01 0.00 0.35 -0.25 0.00 0.00 175.52 175.63 4hhb n THR 39 N -3.11 0.93 0.96 6.82 -2.24 -0.03 -2.11 114.28 115.50 4hhb n THR 39 Ca -0.01 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 4hhb n THR 39 Cb 0.23 -1.15 0.55 0.00 -2.10 0.00 0.00 70.33 67.86 4hhb n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 4hhb n LYS 40 N -1.98 0.16 0.24 -0.78 5.02 -0.37 -2.62 118.16 117.83 4hhb n LYS 40 Ca 0.02 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.53 4hhb n LYS 40 Cb 0.19 -1.50 0.80 0.00 -0.02 0.00 0.00 35.03 34.50 4hhb n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 4hhb h THR 41 N 0.00 0.67 -0.01 -0.18 1.35 -1.61 -1.28 112.91 111.85 4hhb h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 4hhb h THR 41 Cb 0.32 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 4hhb h THR 41 CO 0.00 0.00 -0.47 -1.22 -0.25 0.00 0.00 175.52 173.58 4hhb n TYR 42 N -4.08 0.00 -1.63 4.73 4.01 -1.08 -4.32 117.16 114.79 4hhb n TYR 42 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 4hhb n TYR 42 Cb 0.18 -0.11 0.11 0.00 -0.31 0.00 0.00 39.34 39.21 4hhb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 4hhb n PHE 43 N -0.85 2.23 1.52 -0.72 3.01 -0.48 -4.84 117.46 117.33 4hhb n PHE 43 Ca 0.09 -2.17 0.15 0.00 1.01 0.00 0.00 57.45 56.53 4hhb n PHE 43 Cb 0.37 -0.67 0.79 0.00 -0.01 0.00 0.00 39.48 39.96 4hhb n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 4hhb n PRO 44 N -0.93 0.52 0.00 -1.08 -0.04 -1.24 -2.36 135.00 129.87 4hhb n PRO 44 Ca 0.45 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 4hhb n PRO 44 Cb 0.94 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 33.36 4hhb n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 4hhb n HIS 45 N -1.24 0.00 -3.74 0.54 1.44 -1.26 -4.90 115.22 106.06 4hhb n HIS 45 Ca 0.16 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.62 4hhb n HIS 45 Cb 0.22 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.15 4hhb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 4hhb s PHE 46 N -2.52 3.48 -0.35 -1.40 2.99 -1.00 -5.06 117.98 114.13 4hhb s PHE 46 Ca 0.25 0.23 -0.21 0.00 0.00 0.00 0.00 56.93 57.20 4hhb s PHE 46 Cb 0.19 -1.77 0.00 0.00 0.00 0.00 0.00 43.02 41.45 4hhb s PHE 46 CO 0.51 0.37 0.68 0.34 -0.00 0.00 0.00 175.22 177.12 4hhb s ASP 47 N -3.49 6.47 -0.61 1.36 -1.08 -1.26 -4.89 116.67 113.17 4hhb s ASP 47 Ca 0.37 0.24 -0.00 0.00 -0.52 0.00 0.00 52.55 52.64 4hhb s ASP 47 Cb -0.10 -2.35 0.44 0.00 -1.46 0.00 0.00 42.92 39.46 4hhb s ASP 47 CO 0.30 -0.62 1.87 0.18 0.52 0.00 0.00 175.17 177.43 4hhb n LEU 48 N 6.12 7.16 -4.84 -1.34 4.77 -1.26 -4.49 117.00 123.12 4hhb n LEU 48 Ca -0.00 -4.42 -0.32 0.00 -0.03 0.00 0.00 56.01 51.24 4hhb n LEU 48 Cb 0.48 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 4hhb n LEU 48 CO 0.50 1.62 0.64 -0.94 -1.33 0.00 0.00 177.39 177.88 4hhb s SER 49 N -2.13 6.66 0.38 -1.43 1.04 -1.26 -4.88 113.70 112.07 4hhb s SER 49 Ca 0.61 1.53 -0.14 0.00 0.48 0.00 0.00 55.95 58.43 4hhb s SER 49 Cb 0.49 -2.49 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 4hhb s SER 49 CO -0.03 -0.53 0.78 -2.28 0.98 0.00 0.00 173.24 172.17 4hhb s HIS 50 N -2.52 3.41 -0.15 5.02 2.46 -1.26 -0.94 115.29 121.31 4hhb s HIS 50 Ca 0.58 1.19 0.00 0.00 0.47 0.00 0.00 55.06 57.31 4hhb s HIS 50 Cb -0.10 -2.54 0.00 0.00 -0.13 0.00 0.00 32.58 29.81 4hhb s HIS 50 CO 0.29 -0.03 0.00 0.41 -2.47 0.00 0.00 174.74 172.93 4hhb n GLY 51 N -0.83 0.48 3.42 1.59 0.00 -1.26 -5.02 105.19 103.56 4hhb n GLY 51 Ca 0.04 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 4hhb n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4hhb n SER 52 N 0.06 -1.60 0.11 1.61 3.41 -0.12 -4.83 113.62 112.27 4hhb n SER 52 Ca -0.01 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 4hhb n SER 52 Cb 0.15 -1.12 0.45 0.00 -0.26 0.00 0.00 64.21 63.43 4hhb n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4hhb n ALA 53 N -1.80 2.00 0.01 7.33 0.00 -1.26 -1.55 120.51 125.24 4hhb n ALA 53 Ca 0.10 0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.39 4hhb n ALA 53 Cb 0.48 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 4hhb n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 4hhb h GLN 54 N 0.00 0.40 -0.49 0.00 4.20 -1.90 0.15 115.11 117.47 4hhb h GLN 54 Ca 0.00 -0.45 0.01 0.00 0.06 0.00 0.00 58.65 58.27 4hhb h GLN 54 Cb 0.56 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 4hhb h GLN 54 CO 0.00 1.12 0.31 0.28 -0.67 0.00 0.00 178.83 179.88 4hhb h VAL 55 N -0.12 1.09 -0.03 -0.54 2.07 -1.66 -0.31 116.25 116.75 4hhb h VAL 55 Ca -0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.22 4hhb h VAL 55 Cb 1.36 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 4hhb h VAL 55 CO 0.12 0.12 -0.02 0.29 0.02 0.00 0.00 177.57 178.10 4hhb n LYS 56 N -4.77 -0.01 -0.34 1.57 5.02 -0.59 -0.18 118.16 118.85 4hhb n LYS 56 Ca 0.03 0.75 0.09 0.00 -2.02 0.00 0.00 58.31 57.16 4hhb n LYS 56 Cb 0.04 -1.12 0.27 0.00 -0.02 0.00 0.00 35.03 34.20 4hhb n LYS 56 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 4hhb h GLY 57 N 0.00 1.63 1.11 0.72 0.00 -0.65 -2.26 103.07 103.60 4hhb h GLY 57 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 4hhb h GLY 57 CO -0.03 0.01 -0.37 0.84 0.00 0.00 0.00 176.54 176.99 4hhb h HIS 58 N 0.79 1.09 -0.29 5.60 -0.00 -0.63 -2.01 115.15 119.70 4hhb h HIS 58 Ca 0.52 -0.33 0.04 0.00 -0.00 0.00 0.00 60.37 60.60 4hhb h HIS 58 Cb 0.70 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 4hhb h HIS 58 CO -0.03 1.15 0.20 0.78 -0.00 0.00 0.00 177.93 180.02 4hhb h GLY 59 N 0.72 0.26 1.01 5.26 0.00 -0.43 0.45 103.07 110.33 4hhb h GLY 59 Ca 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 4hhb h GLY 59 CO 0.09 0.07 0.49 1.70 0.00 0.00 0.00 176.54 178.90 4hhb h LYS 60 N 0.22 1.08 0.00 4.80 3.64 -1.14 0.19 116.57 125.37 4hhb h LYS 60 Ca 0.12 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 4hhb h LYS 60 Cb 0.22 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 4hhb h LYS 60 CO -0.02 0.75 -0.27 0.87 -2.27 0.00 0.00 179.45 178.51 4hhb h LYS 61 N 1.10 0.00 -0.12 1.90 1.57 -0.47 0.10 116.57 120.66 4hhb h LYS 61 Ca 0.29 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.86 4hhb h LYS 61 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 4hhb h LYS 61 CO -0.06 0.27 -0.78 0.28 -0.57 0.00 0.00 179.45 178.60 4hhb h VAL 62 N 0.00 1.32 0.00 0.50 2.07 0.43 -1.76 116.25 118.80 4hhb h VAL 62 Ca -0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 4hhb h VAL 62 Cb 0.93 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 4hhb h VAL 62 CO 0.04 0.64 -0.08 0.00 0.02 0.00 0.00 177.57 178.19 4hhb h ALA 63 N 0.69 0.96 0.00 1.67 0.00 -0.39 0.19 119.26 122.38 4hhb h ALA 63 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 4hhb h ALA 63 Cb 1.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 4hhb h ALA 63 CO 0.15 0.00 -0.46 -0.44 0.00 0.00 0.00 179.25 178.50 4hhb h ASP 64 N 0.00 0.00 -0.05 0.00 5.19 -0.66 0.16 116.42 121.06 4hhb h ASP 64 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 4hhb h ASP 64 Cb 0.92 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 4hhb h ASP 64 CO 0.00 0.46 -0.02 0.00 -3.12 0.00 0.00 179.24 176.56 4hhb h ALA 65 N 1.54 1.73 0.02 3.45 0.00 -0.77 0.28 119.26 125.50 4hhb h ALA 65 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 4hhb h ALA 65 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 4hhb h ALA 65 CO 0.06 0.21 -0.92 -0.07 0.00 0.00 0.00 179.25 178.53 4hhb h LEU 66 N 0.19 0.17 -0.65 0.00 3.38 0.23 -1.21 115.31 117.42 4hhb h LEU 66 Ca 0.05 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.96 4hhb h LEU 66 Cb 0.16 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 4hhb h LEU 66 CO 0.00 1.00 0.26 0.74 0.09 0.00 0.00 178.44 180.54 4hhb h THR 67 N 0.06 0.77 0.00 0.22 2.02 -0.17 0.24 112.91 116.05 4hhb h THR 67 Ca -0.04 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 4hhb h THR 67 Cb 1.58 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 4hhb h THR 67 CO 0.13 0.08 -0.36 -1.13 0.37 0.00 0.00 175.52 174.62 4hhb h ASN 68 N 0.45 0.00 0.94 4.18 -1.24 -0.07 -0.25 115.58 119.60 4hhb h ASN 68 Ca 0.33 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.13 4hhb h ASN 68 Cb 0.42 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 4hhb h ASN 68 CO -0.32 0.36 -1.10 0.00 -1.29 0.00 0.00 177.43 175.09 4hhb h ALA 69 N 1.64 0.47 0.00 1.57 0.00 0.09 -1.91 119.26 121.12 4hhb h ALA 69 Ca -0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.88 4hhb h ALA 69 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 4hhb h ALA 69 CO 0.05 1.24 -0.29 0.28 0.00 0.00 0.00 179.25 180.53 4hhb h VAL 70 N 0.00 1.19 -0.53 0.00 2.07 0.05 -2.07 116.25 116.95 4hhb h VAL 70 Ca -0.07 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 4hhb h VAL 70 Cb 1.77 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 4hhb h VAL 70 CO 0.11 0.28 0.03 0.00 0.02 0.00 0.00 177.57 178.01 4hhb h ALA 71 N 1.71 0.71 -0.68 1.67 0.00 -0.80 -3.15 119.26 118.72 4hhb h ALA 71 Ca -0.00 -0.28 -0.49 0.00 0.00 0.00 0.00 54.91 54.14 4hhb h ALA 71 Cb 0.51 -0.20 -0.41 0.00 0.00 0.00 0.00 17.79 17.70 4hhb h ALA 71 CO 0.04 0.51 -0.84 0.72 0.00 0.00 0.00 179.25 179.67 4hhb n HIS 72 N -4.31 2.46 -0.33 0.00 -0.00 -0.74 -4.85 115.22 107.45 4hhb n HIS 72 Ca 0.02 -2.17 0.14 0.00 -0.00 0.00 0.00 57.72 55.70 4hhb n HIS 72 Cb 0.30 -0.32 0.33 0.00 -0.00 0.00 0.00 29.99 30.30 4hhb n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 4hhb h VAL 73 N 2.52 0.61 0.00 1.59 3.04 -1.34 -0.80 116.25 121.87 4hhb h VAL 73 Ca 0.30 -0.21 -0.07 0.00 -1.01 0.00 0.00 66.70 65.71 4hhb h VAL 73 Cb 1.49 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 4hhb h VAL 73 CO 0.66 0.11 -0.33 0.44 -1.01 0.00 0.00 177.57 177.45 4hhb h ASP 74 N 0.62 0.00 -2.15 3.17 3.32 -1.88 -3.31 116.42 116.19 4hhb h ASP 74 Ca 0.58 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 57.07 4hhb h ASP 74 Cb 1.00 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.17 4hhb h ASP 74 CO -0.44 0.33 -1.02 -0.67 -1.72 0.00 0.00 179.24 175.72 4hhb n ASP 75 N -3.39 -0.29 0.12 6.45 4.64 -0.33 -4.97 116.55 118.78 4hhb n ASP 75 Ca 0.01 -2.53 0.07 0.00 -1.38 0.00 0.00 54.79 50.95 4hhb n ASP 75 Cb 0.52 -0.52 0.02 0.00 -1.04 0.00 0.00 41.12 40.11 4hhb n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 4hhb h MET 76 N 4.88 0.00 -0.25 -0.67 2.86 -1.59 0.79 114.93 120.95 4hhb h MET 76 Ca 0.17 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 4hhb h MET 76 Cb 0.90 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 4hhb h MET 76 CO 0.40 0.17 -0.15 -2.30 1.06 0.00 0.00 176.91 176.10 4hhb n PRO 77 N -2.94 -0.11 0.04 -0.22 -0.02 -1.26 -0.87 135.00 129.62 4hhb n PRO 77 Ca -0.01 1.03 -0.10 0.00 -2.02 0.00 0.00 63.50 62.40 4hhb n PRO 77 Cb 0.65 -1.54 0.03 0.00 -0.02 0.00 0.00 33.50 32.63 4hhb n PRO 77 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 4hhb h ASN 78 N 0.00 0.51 -0.46 2.55 4.21 -1.81 -2.63 115.58 117.94 4hhb h ASN 78 Ca 0.04 -0.32 -0.03 0.00 1.21 0.00 0.00 56.30 57.19 4hhb h ASN 78 Cb 0.10 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 4hhb h ASN 78 CO -0.24 1.05 0.15 0.00 -1.29 0.00 0.00 177.43 177.11 4hhb h ALA 79 N 0.94 0.60 -0.01 -0.83 0.00 -0.16 -1.88 119.26 117.93 4hhb h ALA 79 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 4hhb h ALA 79 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 4hhb h ALA 79 CO 0.12 0.25 -0.09 1.28 0.00 0.00 0.00 179.25 180.80 4hhb n LEU 80 N -4.55 0.69 0.21 0.00 4.77 -0.05 -4.69 117.00 113.39 4hhb n LEU 80 Ca 0.01 -0.13 0.15 0.00 -0.03 0.00 0.00 56.01 56.01 4hhb n LEU 80 Cb 0.18 -0.11 0.64 0.00 -2.33 0.00 0.00 43.42 41.79 4hhb n LEU 80 CO 0.38 0.12 0.94 -1.28 -1.33 0.00 0.00 177.39 176.23 4hhb h SER 81 N 0.94 0.00 0.78 -1.43 0.87 -0.94 -0.10 113.55 113.67 4hhb h SER 81 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 4hhb h SER 81 Cb 0.36 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 4hhb h SER 81 CO 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 176.83 175.93 4hhb h ALA 82 N 2.11 -1.21 0.00 6.23 0.00 -1.84 -1.32 119.26 123.23 4hhb h ALA 82 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 4hhb h ALA 82 Cb 0.39 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.59 4hhb h ALA 82 CO 0.00 -1.13 -0.05 -0.11 0.00 0.00 0.00 179.25 177.96 4hhb n LEU 83 N -4.97 0.48 0.06 0.00 7.94 -0.53 -2.10 117.00 117.87 4hhb n LEU 83 Ca -0.13 0.51 -0.02 0.00 -1.11 0.00 0.00 56.01 55.27 4hhb n LEU 83 Cb 0.41 -0.38 0.25 0.00 0.53 0.00 0.00 43.42 44.23 4hhb n LEU 83 CO 0.31 -0.09 0.75 0.77 -1.11 0.00 0.00 177.39 178.01 4hhb h SER 84 N 0.00 0.35 0.78 1.96 4.64 -0.88 -0.34 113.55 120.06 4hhb h SER 84 Ca 0.00 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 4hhb h SER 84 Cb 0.64 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 4hhb h SER 84 CO 0.00 0.62 -0.52 0.44 -0.87 0.00 0.00 176.83 176.50 4hhb h ASP 85 N 0.31 0.00 -0.37 4.97 3.32 -0.98 -0.96 116.42 122.72 4hhb h ASP 85 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 4hhb h ASP 85 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 4hhb h ASP 85 CO 0.05 0.52 0.04 0.25 -1.72 0.00 0.00 179.24 178.38 4hhb h LEU 86 N 0.00 0.60 0.00 1.55 5.85 -1.21 0.19 115.31 122.29 4hhb h LEU 86 Ca -0.01 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 4hhb h LEU 86 Cb 1.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 4hhb h LEU 86 CO 0.07 0.73 -0.44 0.45 -0.34 0.00 0.00 178.44 178.91 4hhb h HIS 87 N 0.46 0.00 0.02 1.25 3.86 -0.94 -1.39 115.15 118.41 4hhb h HIS 87 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 4hhb h HIS 87 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 4hhb h HIS 87 CO 0.03 0.29 -0.01 0.00 0.86 0.00 0.00 177.93 179.10 4hhb h ALA 88 N 1.71 -0.03 0.00 2.45 0.00 -0.58 0.15 119.26 122.96 4hhb h ALA 88 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 4hhb h ALA 88 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 4hhb h ALA 88 CO 0.03 -0.27 -1.37 0.72 0.00 0.00 0.00 179.25 178.37 4hhb n HIS 89 N -4.87 0.73 -0.07 0.00 8.25 0.60 -4.64 115.22 115.22 4hhb n HIS 89 Ca -0.08 0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.48 4hhb n HIS 89 Cb 0.25 -0.90 -0.04 0.00 1.12 0.00 0.00 29.99 30.43 4hhb n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 4hhb n LYS 90 N -2.64 0.41 -0.04 -0.41 4.76 -0.97 -4.86 118.16 114.41 4hhb n LYS 90 Ca -0.04 0.17 -0.19 0.00 -2.87 0.00 0.00 58.31 55.38 4hhb n LYS 90 Cb 0.65 -1.21 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 4hhb n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 4hhb h LEU 91 N -0.74 0.18 -1.60 -0.35 3.38 -1.36 -3.47 115.31 111.33 4hhb h LEU 91 Ca -0.18 -0.84 -0.31 0.00 0.09 0.00 0.00 57.88 56.63 4hhb h LEU 91 Cb 0.99 -0.06 0.16 0.00 0.09 0.00 0.00 40.66 41.84 4hhb h LEU 91 CO -0.11 1.33 -0.71 0.54 0.09 0.00 0.00 178.44 179.59 4hhb n ARG 92 N -4.31 -6.27 -2.27 1.13 1.74 0.52 -4.96 116.66 102.23 4hhb n ARG 92 Ca -0.19 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 4hhb n ARG 92 Cb 0.69 -5.63 -0.03 0.00 -1.02 0.00 0.00 32.46 26.47 4hhb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 4hhb s VAL 93 N -3.33 3.79 0.53 1.55 1.01 -1.26 -4.98 120.40 117.71 4hhb s VAL 93 Ca 0.05 1.18 -0.22 0.00 0.00 0.00 0.00 61.98 63.00 4hhb s VAL 93 Cb -0.02 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 4hhb s VAL 93 CO 0.68 0.01 1.26 -0.62 0.00 0.00 0.00 175.10 176.43 4hhb s ASP 94 N 1.71 5.55 0.51 3.32 2.15 -1.26 -4.82 116.67 123.83 4hhb s ASP 94 Ca 0.62 2.53 0.30 0.00 0.43 0.00 0.00 52.55 56.43 4hhb s ASP 94 Cb -0.31 -2.62 1.28 0.00 -0.30 0.00 0.00 42.92 40.98 4hhb s ASP 94 CO 0.26 -1.36 1.96 -0.65 -0.17 0.00 0.00 175.17 175.22 4hhb h PRO 95 N 1.54 0.00 0.00 4.34 0.11 -2.00 -2.01 132.00 133.97 4hhb h PRO 95 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 4hhb h PRO 95 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 4hhb h PRO 95 CO 0.58 0.10 -0.01 -0.24 -0.21 0.00 0.00 178.00 178.22 4hhb h VAL 96 N 0.00 0.78 -0.00 3.15 3.04 -2.04 -2.47 116.25 118.71 4hhb h VAL 96 Ca -0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 4hhb h VAL 96 Cb 0.54 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 4hhb h VAL 96 CO 0.01 0.01 -0.05 0.59 -1.01 0.00 0.00 177.57 177.12 4hhb n ASN 97 N -4.21 0.13 0.00 3.17 3.02 -0.76 -2.70 115.26 113.92 4hhb n ASN 97 Ca -0.03 -0.16 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 4hhb n ASN 97 Cb 0.09 -0.24 0.12 0.00 -0.61 0.00 0.00 39.78 39.14 4hhb n ASN 97 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 4hhb h PHE 98 N 0.13 0.62 0.00 3.10 0.04 -1.63 -1.95 116.94 117.25 4hhb h PHE 98 Ca 0.00 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.60 4hhb h PHE 98 Cb 0.34 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.35 4hhb h PHE 98 CO 0.00 0.84 0.00 0.87 -0.60 0.00 0.00 178.31 179.42 4hhb h LYS 99 N 0.44 0.00 0.16 1.51 1.57 -1.68 0.12 116.57 118.70 4hhb h LYS 99 Ca 0.04 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.55 4hhb h LYS 99 Cb 0.87 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.20 4hhb h LYS 99 CO 0.07 0.00 -1.29 -0.07 -0.57 0.00 0.00 179.45 177.59 4hhb h LEU 100 N 0.00 0.53 -0.88 2.94 3.38 -1.43 -1.61 115.31 118.24 4hhb h LEU 100 Ca 0.00 -0.91 -0.09 0.00 0.09 0.00 0.00 57.88 56.97 4hhb h LEU 100 Cb 0.60 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 4hhb h LEU 100 CO 0.00 1.59 -0.44 0.25 0.09 0.00 0.00 178.44 179.93 4hhb h LEU 101 N -0.18 0.00 0.03 1.67 5.85 -1.34 -2.40 115.31 118.94 4hhb h LEU 101 Ca -0.25 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 4hhb h LEU 101 Cb 1.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.89 4hhb h LEU 101 CO 0.15 0.44 -0.01 0.28 -0.34 0.00 0.00 178.44 178.96 4hhb h SER 102 N 0.00 -0.03 -0.89 1.25 0.02 -0.83 0.19 113.55 113.25 4hhb h SER 102 Ca -0.00 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 60.87 4hhb h SER 102 Cb 0.95 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.39 4hhb h SER 102 CO 0.06 0.14 -0.52 1.57 -1.14 0.00 0.00 176.83 176.93 4hhb n HIS 103 N -5.03 -0.39 0.21 3.45 -0.00 -0.62 -0.76 115.22 112.09 4hhb n HIS 103 Ca -0.08 1.11 0.08 0.00 -0.00 0.00 0.00 57.72 58.84 4hhb n HIS 103 Cb 0.12 -0.57 0.43 0.00 -0.00 0.00 0.00 29.99 29.96 4hhb n HIS 103 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 4hhb h LEU 105 N 0.00 0.00 -1.11 0.00 3.38 -0.13 -2.10 115.31 115.35 4hhb h LEU 105 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 4hhb h LEU 105 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 4hhb h LEU 105 CO 0.04 0.90 -0.07 -0.07 0.09 0.00 0.00 178.44 179.33 4hhb h LEU 106 N 0.00 0.52 -0.98 1.67 3.38 -0.47 0.52 115.31 119.96 4hhb h LEU 106 Ca -0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 4hhb h LEU 106 Cb 1.65 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 4hhb h LEU 106 CO 0.12 0.64 0.30 0.58 0.09 0.00 0.00 178.44 180.17 4hhb h VAL 107 N 0.51 1.24 -0.07 1.22 2.07 -1.07 0.19 116.25 120.34 4hhb h VAL 107 Ca 0.10 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 4hhb h VAL 107 Cb 0.43 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 4hhb h VAL 107 CO 0.02 0.29 0.00 0.74 0.02 0.00 0.00 177.57 178.65 4hhb h THR 108 N 1.02 1.25 -0.85 2.57 2.02 -0.58 -2.35 112.91 115.99 4hhb h THR 108 Ca 0.24 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.69 4hhb h THR 108 Cb 0.17 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 4hhb h THR 108 CO -0.02 0.21 0.54 -0.07 0.37 0.00 0.00 175.52 176.55 4hhb h LEU 109 N -0.17 0.89 -1.33 2.58 3.38 -0.56 -2.44 115.31 117.65 4hhb h LEU 109 Ca 0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 4hhb h LEU 109 Cb 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 4hhb h LEU 109 CO 0.00 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 179.05 4hhb h ALA 110 N 1.36 1.45 -0.84 1.53 0.00 -0.28 0.23 119.26 122.72 4hhb h ALA 110 Ca 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 4hhb h ALA 110 Cb 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 4hhb h ALA 110 CO -0.13 0.38 0.40 0.00 0.00 0.00 0.00 179.25 179.91 4hhb h ALA 111 N 1.59 1.08 -0.00 0.00 0.00 -1.21 -3.26 119.26 117.46 4hhb h ALA 111 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 4hhb h ALA 111 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.82 4hhb h ALA 111 CO 0.02 0.65 -0.59 0.72 0.00 0.00 0.00 179.25 180.05 4hhb n HIS 112 N -4.32 0.00 -3.04 0.00 8.25 -0.79 -4.77 115.22 110.56 4hhb n HIS 112 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.29 4hhb n HIS 112 Cb 0.14 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 4hhb n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 4hhb n LEU 113 N -1.26 3.53 0.13 2.41 4.77 0.74 -4.92 117.00 122.41 4hhb n LEU 113 Ca 0.02 -5.50 0.06 0.00 -0.03 0.00 0.00 56.01 50.56 4hhb n LEU 113 Cb 0.20 -0.26 0.53 0.00 -2.33 0.00 0.00 43.42 41.56 4hhb n LEU 113 CO 0.25 2.31 1.10 1.55 -1.33 0.00 0.00 177.39 181.28 4hhb h PRO 114 N 3.10 0.26 0.09 3.23 0.13 -1.82 -2.48 132.00 134.50 4hhb h PRO 114 Ca 0.13 -0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.98 4hhb h PRO 114 Cb 0.62 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.71 4hhb h PRO 114 CO 0.74 0.19 -1.14 0.00 -0.23 0.00 0.00 178.00 177.56 4hhb h ALA 115 N 1.86 0.18 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.47 4hhb h ALA 115 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.17 4hhb h ALA 115 Cb -0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 4hhb h ALA 115 CO -0.01 0.87 -1.12 0.39 0.00 0.00 0.00 179.25 179.38 4hhb n GLU 116 N -3.65 0.29 -0.88 0.00 4.71 -1.01 -4.63 120.64 115.47 4hhb n GLU 116 Ca -0.09 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.16 56.81 4hhb n GLU 116 Cb 0.95 -1.57 -0.05 0.00 -1.01 0.00 0.00 31.44 29.76 4hhb n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 4hhb n PHE 117 N -1.93 1.30 -1.37 -0.32 7.35 -0.97 -4.76 117.46 116.75 4hhb n PHE 117 Ca 0.02 -2.04 -0.17 0.00 -0.76 0.00 0.00 57.45 54.50 4hhb n PHE 117 Cb 0.44 -1.78 0.13 0.00 0.35 0.00 0.00 39.48 38.61 4hhb n PHE 117 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 4hhb n THR 118 N 3.64 0.00 -0.09 -2.13 -2.24 -1.26 -4.75 114.28 107.44 4hhb n THR 118 Ca 0.50 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 4hhb n THR 118 Cb 0.29 -1.58 -0.04 0.00 -2.10 0.00 0.00 70.33 66.90 4hhb n THR 118 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 4hhb h PRO 119 N 0.00 0.52 -0.34 -0.78 0.11 -1.99 -0.30 132.00 129.22 4hhb h PRO 119 Ca -0.25 -0.19 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 4hhb h PRO 119 Cb 0.71 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 4hhb h PRO 119 CO 0.17 0.71 -0.10 0.00 -0.21 0.00 0.00 178.00 178.57 4hhb h ALA 120 N 0.79 1.20 -0.08 -0.75 0.00 -1.96 -1.63 119.26 116.83 4hhb h ALA 120 Ca 0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 4hhb h ALA 120 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 4hhb h ALA 120 CO 0.02 0.52 -0.24 0.28 0.00 0.00 0.00 179.25 179.84 4hhb h VAL 121 N 0.53 1.42 0.00 0.00 2.07 -1.68 -1.47 116.25 117.11 4hhb h VAL 121 Ca 0.10 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.02 4hhb h VAL 121 Cb 0.50 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 4hhb h VAL 121 CO 0.03 0.45 0.00 1.57 0.02 0.00 0.00 177.57 179.64 4hhb n HIS 122 N -4.50 0.00 -0.27 1.57 -0.00 -0.19 0.27 115.22 112.10 4hhb n HIS 122 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.72 4hhb n HIS 122 Cb 0.44 -0.49 0.21 0.00 -0.00 0.00 0.00 29.99 30.15 4hhb n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 4hhb h ALA 123 N -1.06 1.05 -0.15 1.57 0.00 -1.13 -1.57 119.26 117.97 4hhb h ALA 123 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 4hhb h ALA 123 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 4hhb h ALA 123 CO 0.00 -0.37 -0.69 0.77 0.00 0.00 0.00 179.25 178.96 4hhb h SER 124 N 0.26 0.73 0.42 0.00 0.02 -0.17 -1.43 113.55 113.37 4hhb h SER 124 Ca 0.46 -0.45 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 4hhb h SER 124 Cb 0.83 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 4hhb h SER 124 CO -0.56 1.21 -0.62 -0.07 -1.14 0.00 0.00 176.83 175.66 4hhb h LEU 125 N 0.44 0.21 -0.30 5.07 3.38 0.08 0.49 115.31 124.69 4hhb h LEU 125 Ca -0.03 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.87 4hhb h LEU 125 Cb 1.28 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 4hhb h LEU 125 CO 0.13 0.78 -0.01 -0.78 0.09 0.00 0.00 178.44 178.65 4hhb h ASP 126 N 0.14 -0.13 0.48 -0.43 3.58 -1.13 -0.43 116.42 118.50 4hhb h ASP 126 Ca -0.01 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 4hhb h ASP 126 Cb 1.12 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.29 4hhb h ASP 126 CO 0.09 -0.03 -0.29 0.50 -2.88 0.00 0.00 179.24 176.63 4hhb h LYS 127 N 0.08 -0.71 -0.88 0.28 3.64 -1.00 -1.80 116.57 116.18 4hhb h LYS 127 Ca 0.14 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 4hhb h LYS 127 Cb 0.19 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 4hhb h LYS 127 CO -0.25 -0.47 0.57 0.35 -2.27 0.00 0.00 179.45 177.38 4hhb h PHE 128 N -0.74 1.03 0.00 1.91 3.57 -0.65 -1.39 116.94 120.67 4hhb h PHE 128 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 4hhb h PHE 128 Cb 0.60 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 4hhb h PHE 128 CO -0.09 0.57 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.39 4hhb h LEU 129 N 1.04 0.00 -0.73 0.59 3.38 -0.80 0.52 115.31 119.31 4hhb h LEU 129 Ca 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.25 4hhb h LEU 129 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 4hhb h LEU 129 CO -0.12 0.10 0.04 0.00 0.09 0.00 0.00 178.44 178.55 4hhb h ALA 130 N 1.90 0.94 -0.04 1.53 0.00 -1.09 -1.66 119.26 120.84 4hhb h ALA 130 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 4hhb h ALA 130 Cb 1.01 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.59 4hhb h ALA 130 CO 0.01 0.65 -0.85 0.77 0.00 0.00 0.00 179.25 179.83 4hhb h SER 131 N 0.94 0.82 -0.74 0.00 0.02 -0.41 -0.46 113.55 113.72 4hhb h SER 131 Ca 0.18 -0.71 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 4hhb h SER 131 Cb 0.49 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 4hhb h SER 131 CO 0.02 1.41 0.36 0.58 -1.14 0.00 0.00 176.83 178.06 4hhb h VAL 132 N 0.30 1.24 -0.69 2.27 2.07 -0.77 -1.40 116.25 119.27 4hhb h VAL 132 Ca -0.09 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 66.79 4hhb h VAL 132 Cb 1.51 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 4hhb h VAL 132 CO 0.17 0.28 0.46 0.28 0.02 0.00 0.00 177.57 178.78 4hhb h SER 133 N 1.04 0.71 0.68 0.57 0.02 -1.08 0.41 113.55 115.90 4hhb h SER 133 Ca 0.26 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.01 4hhb h SER 133 Cb 0.12 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 4hhb h SER 133 CO -0.03 0.49 -0.87 0.74 -1.14 0.00 0.00 176.83 176.01 4hhb h THR 134 N 0.83 1.53 0.01 -2.27 2.02 -0.57 -2.50 112.91 111.96 4hhb h THR 134 Ca 0.28 -2.72 -0.21 0.00 0.77 0.00 0.00 66.41 64.53 4hhb h THR 134 Cb 0.07 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 4hhb h THR 134 CO -0.08 0.79 -0.91 0.58 0.37 0.00 0.00 175.52 176.27 4hhb h VAL 135 N 0.07 1.49 -0.01 3.16 2.07 -0.72 -2.69 116.25 119.62 4hhb h VAL 135 Ca -0.03 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.83 4hhb h VAL 135 Cb 1.51 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 4hhb h VAL 135 CO 0.13 0.77 -0.05 -0.07 0.02 0.00 0.00 177.57 178.37 4hhb h LEU 136 N 0.12 0.01 -2.38 2.57 3.38 -0.72 -2.79 115.31 115.50 4hhb h LEU 136 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 4hhb h LEU 136 Cb 1.55 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 4hhb h LEU 136 CO 0.14 0.07 0.00 0.41 0.09 0.00 0.00 178.44 179.15 4hhb n THR 137 N -4.47 0.59 0.09 0.22 -1.04 -0.96 -4.47 114.28 104.24 4hhb n THR 137 Ca -0.03 -0.79 0.03 0.00 -2.04 0.00 0.00 64.05 61.22 4hhb n THR 137 Cb 0.14 0.88 0.41 0.00 -1.82 0.00 0.00 70.33 69.94 4hhb n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 4hhb h SER 138 N 3.90 0.30 -0.31 8.00 0.02 -1.19 -2.99 113.55 121.27 4hhb h SER 138 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 4hhb h SER 138 Cb 0.90 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.37 4hhb h SER 138 CO 0.00 0.36 0.00 0.29 -1.14 0.00 0.00 176.83 176.34 4hhb n LYS 139 N -4.35 2.17 0.28 3.45 5.02 -1.26 -4.59 118.16 118.88 4hhb n LYS 139 Ca 0.00 -1.95 0.13 0.00 -2.02 0.00 0.00 58.31 54.47 4hhb n LYS 139 Cb 0.20 -1.36 0.81 0.00 -0.02 0.00 0.00 35.03 34.66 4hhb n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 4hhb h TYR 140 N 3.01 0.00 0.00 2.13 0.99 -1.84 -3.47 116.97 117.80 4hhb h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 4hhb h TYR 140 Cb 0.77 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.50 4hhb h TYR 140 CO 0.20 0.05 0.00 2.89 -0.00 0.00 0.00 178.16 181.30