#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hhb s LEU 2 N 0.00 4.15 0.86 7.52 1.43 -1.26 -5.03 118.68 126.35 2hhb s LEU 2 Ca 0.00 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 2hhb s LEU 2 Cb 0.00 -3.51 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2hhb s LEU 2 CO 0.00 -0.58 1.09 -0.94 0.23 0.00 0.00 176.35 176.16 2hhb s SER 3 N 1.17 3.82 0.35 2.29 1.04 -1.26 -4.84 113.70 116.26 2hhb s SER 3 Ca 0.45 1.44 0.04 0.00 0.48 0.00 0.00 55.95 58.36 2hhb s SER 3 Cb -0.16 -2.14 0.64 0.00 0.10 0.00 0.00 66.02 64.46 2hhb s SER 3 CO 0.10 -2.42 1.93 -0.65 0.98 0.00 0.00 173.24 173.19 2hhb h PRO 4 N -1.40 0.63 -0.59 4.02 0.11 -1.99 -1.23 132.00 131.55 2hhb h PRO 4 Ca -0.48 -0.09 -0.07 0.00 0.11 0.00 0.00 66.00 65.47 2hhb h PRO 4 Cb 1.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2hhb h PRO 4 CO 0.56 0.53 0.11 0.00 -0.21 0.00 0.00 178.00 178.99 2hhb h ALA 5 N 1.55 0.78 -0.77 -0.75 0.00 -1.99 -0.20 119.26 117.88 2hhb h ALA 5 Ca 0.15 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2hhb h ALA 5 Cb 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2hhb h ALA 5 CO -0.01 0.52 0.45 -0.44 0.00 0.00 0.00 179.25 179.76 2hhb h ASP 6 N 0.87 0.67 -0.35 0.00 3.32 -1.62 -1.12 116.42 118.18 2hhb h ASP 6 Ca 0.18 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2hhb h ASP 6 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2hhb h ASP 6 CO 0.01 0.41 0.01 0.11 -1.72 0.00 0.00 179.24 178.06 2hhb h LYS 7 N 0.80 0.71 -0.58 3.56 1.57 -0.48 -1.03 116.57 121.12 2hhb h LYS 7 Ca 0.35 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2hhb h LYS 7 Cb 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2hhb h LYS 7 CO -0.20 0.72 0.23 1.15 -0.57 0.00 0.00 179.45 180.78 2hhb h THR 8 N 0.67 1.23 -0.44 -0.16 2.02 -0.54 -1.01 112.91 114.68 2hhb h THR 8 Ca 0.14 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2hhb h THR 8 Cb 0.40 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2hhb h THR 8 CO 0.01 0.28 0.20 0.78 0.37 0.00 0.00 175.52 177.16 2hhb h ASN 9 N 0.80 0.59 -0.36 4.18 2.35 -0.73 -0.92 115.58 121.49 2hhb h ASN 9 Ca 0.19 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2hhb h ASN 9 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2hhb h ASN 9 CO -0.01 0.56 -0.02 0.58 -1.65 0.00 0.00 177.43 176.89 2hhb h VAL 10 N 0.57 1.26 -0.44 2.81 2.07 -1.11 -1.39 116.25 120.03 2hhb h VAL 10 Ca 0.15 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 2hhb h VAL 10 Cb 0.14 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2hhb h VAL 10 CO -0.02 0.33 0.20 0.11 0.02 0.00 0.00 177.57 178.21 2hhb h LYS 11 N 0.45 0.61 0.14 1.57 1.57 -1.06 0.48 116.57 120.32 2hhb h LYS 11 Ca 0.10 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 2hhb h LYS 11 Cb 0.48 -0.12 0.03 0.00 0.08 0.00 0.00 32.23 32.70 2hhb h LYS 11 CO 0.02 0.48 -1.26 0.00 -0.57 0.00 0.00 179.45 178.12 2hhb h ALA 12 N 1.61 0.01 -0.26 3.86 0.00 -1.00 -0.80 119.26 122.68 2hhb h ALA 12 Ca 0.15 -0.80 -0.16 0.00 0.00 0.00 0.00 54.91 54.11 2hhb h ALA 12 Cb 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2hhb h ALA 12 CO -0.02 0.74 -0.47 0.00 0.00 0.00 0.00 179.25 179.50 2hhb h ALA 13 N 0.35 0.68 0.00 0.00 0.00 -0.97 -2.68 119.26 116.64 2hhb h ALA 13 Ca -0.18 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.11 2hhb h ALA 13 Cb 1.94 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 2hhb h ALA 13 CO 0.23 0.67 -0.66 2.35 0.00 0.00 0.00 179.25 181.85 2hhb h TRP 14 N 0.55 0.00 -0.37 0.00 2.91 -0.90 -2.26 115.95 115.88 2hhb h TRP 14 Ca 0.03 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.11 2hhb h TRP 14 Cb 1.02 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.62 2hhb h TRP 14 CO 0.05 0.66 0.05 0.78 -1.03 0.00 0.00 178.44 178.95 2hhb h GLY 15 N 2.72 0.41 1.94 2.65 0.00 -1.01 0.88 103.07 110.66 2hhb h GLY 15 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2hhb h GLY 15 CO 0.09 -0.04 0.03 1.70 0.00 0.00 0.00 176.54 178.31 2hhb h LYS 16 N 0.17 0.08 -0.26 4.80 1.63 -1.11 -2.33 116.57 119.56 2hhb h LYS 16 Ca 0.18 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.87 2hhb h LYS 16 Cb 0.22 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2hhb h LYS 16 CO -0.25 0.07 -0.24 0.28 -3.45 0.00 0.00 179.45 175.87 2hhb h VAL 17 N 0.09 1.31 0.00 2.00 2.07 -0.33 -3.44 116.25 117.94 2hhb h VAL 17 Ca 0.02 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2hhb h VAL 17 Cb 0.02 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2hhb h VAL 17 CO -0.00 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2hhb n GLY 18 N 0.14 1.57 0.18 2.17 0.00 -0.30 -1.96 105.19 107.00 2hhb n GLY 18 Ca -0.04 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.61 2hhb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hhb n ALA 19 N 8.94 3.70 1.06 4.61 0.00 -1.26 -3.18 120.51 134.37 2hhb n ALA 19 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 53.44 53.01 2hhb n ALA 19 Cb 0.00 -0.97 0.20 0.00 0.00 0.00 0.00 19.45 18.68 2hhb n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2hhb n HIS 20 N -0.92 0.37 -0.32 0.00 -0.00 -0.83 -4.41 115.22 109.12 2hhb n HIS 20 Ca 0.08 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.72 57.58 2hhb n HIS 20 Cb 0.37 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.45 2hhb n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2hhb h ALA 21 N 3.68 1.11 -0.10 -1.41 0.00 -1.70 0.38 119.26 121.22 2hhb h ALA 21 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2hhb h ALA 21 Cb 0.43 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2hhb h ALA 21 CO 0.00 0.48 -0.57 0.78 0.00 0.00 0.00 179.25 179.94 2hhb h GLY 22 N 1.15 0.34 1.40 0.00 0.00 -1.84 0.13 103.07 104.25 2hhb h GLY 22 Ca 0.32 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2hhb h GLY 22 CO -0.08 0.36 -0.54 -2.09 0.00 0.00 0.00 176.54 174.19 2hhb h GLU 23 N 0.24 0.63 -0.32 4.80 4.81 -1.58 -2.12 114.58 121.05 2hhb h GLU 23 Ca 0.00 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 58.72 2hhb h GLU 23 Cb 1.07 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2hhb h GLU 23 CO 0.09 1.01 -0.24 1.88 -0.73 0.00 0.00 179.01 181.02 2hhb h TYR 24 N 0.49 0.85 -0.55 0.92 0.99 -0.70 -1.93 116.97 117.03 2hhb h TYR 24 Ca 0.01 -0.24 0.08 0.00 2.00 0.00 0.00 58.73 60.59 2hhb h TYR 24 Cb 1.10 -0.19 -0.07 0.00 1.00 0.00 0.00 36.73 38.57 2hhb h TYR 24 CO 0.05 0.97 0.19 0.78 -0.00 0.00 0.00 178.16 180.15 2hhb h GLY 25 N 0.48 0.75 1.24 3.88 0.00 -0.64 -1.12 103.07 107.67 2hhb h GLY 25 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 2hhb h GLY 25 CO 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 176.54 176.52 2hhb h ALA 26 N 1.38 0.93 -0.59 3.60 0.00 -1.27 -2.28 119.26 121.03 2hhb h ALA 26 Ca 0.27 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2hhb h ALA 26 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2hhb h ALA 26 CO -0.29 0.63 0.18 1.49 0.00 0.00 0.00 179.25 181.26 2hhb h GLU 27 N 0.82 0.93 -0.83 0.00 4.81 -1.11 -0.85 114.58 118.34 2hhb h GLU 27 Ca 0.14 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2hhb h GLU 27 Cb 0.58 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2hhb h GLU 27 CO 0.04 0.83 0.40 0.00 -0.73 0.00 0.00 179.01 179.55 2hhb h ALA 28 N 1.05 1.14 -0.16 2.92 0.00 -1.12 0.14 119.26 123.23 2hhb h ALA 28 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hhb h ALA 28 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2hhb h ALA 28 CO -0.00 0.65 0.10 -0.07 0.00 0.00 0.00 179.25 179.93 2hhb h LEU 29 N 1.19 0.18 -1.29 0.00 3.38 -1.06 -0.73 115.31 116.99 2hhb h LEU 29 Ca 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2hhb h LEU 29 Cb 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2hhb h LEU 29 CO -0.04 0.14 0.28 -0.08 0.09 0.00 0.00 178.44 178.83 2hhb h GLU 30 N 0.20 0.77 -0.62 1.13 4.81 -0.76 -0.37 114.58 119.74 2hhb h GLU 30 Ca 0.06 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2hhb h GLU 30 Cb -0.01 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2hhb h GLU 30 CO -0.01 0.58 0.35 0.00 -0.73 0.00 0.00 179.01 179.20 2hhb h ARG 31 N 0.77 0.86 -0.10 1.92 3.08 -0.75 -2.25 114.38 117.91 2hhb h ARG 31 Ca 0.19 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 2hhb h ARG 31 Cb 0.06 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2hhb h ARG 31 CO -0.03 0.64 0.05 1.98 -1.07 0.00 0.00 179.97 181.54 2hhb h MET 32 N 0.84 0.14 -0.01 0.04 4.05 -0.38 -0.05 114.93 119.56 2hhb h MET 32 Ca 0.22 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2hhb h MET 32 Cb 0.03 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2hhb h MET 32 CO -0.04 0.21 -0.14 0.74 0.23 0.00 0.00 176.91 177.92 2hhb h PHE 33 N 0.03 0.02 0.11 1.39 0.04 -0.99 0.26 116.94 117.79 2hhb h PHE 33 Ca 0.03 -0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.50 2hhb h PHE 33 Cb 0.12 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2hhb h PHE 33 CO -0.03 0.16 -1.55 -0.07 -0.60 0.00 0.00 178.31 176.22 2hhb h LEU 34 N 0.02 0.35 0.00 1.54 3.38 -1.23 -3.30 115.31 116.07 2hhb h LEU 34 Ca 0.00 -0.51 -0.25 0.00 0.09 0.00 0.00 57.88 57.21 2hhb h LEU 34 Cb 0.26 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2hhb h LEU 34 CO 0.02 1.42 -1.43 0.28 0.09 0.00 0.00 178.44 178.82 2hhb h SER 35 N 0.06 0.00 -2.50 -0.43 0.02 -0.77 -3.40 113.55 106.53 2hhb h SER 35 Ca -0.25 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.11 2hhb h SER 35 Cb 2.01 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 64.15 2hhb h SER 35 CO 0.15 0.97 -0.82 0.49 -1.14 0.00 0.00 176.83 176.48 2hhb n PHE 36 N -3.14 1.15 0.32 3.45 3.01 0.06 -4.99 117.46 117.32 2hhb n PHE 36 Ca -0.10 -3.79 0.21 0.00 1.01 0.00 0.00 57.45 54.77 2hhb n PHE 36 Cb 1.00 -0.24 1.11 0.00 -0.01 0.00 0.00 39.48 41.34 2hhb n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2hhb h PRO 37 N 5.05 0.00 0.00 -1.08 0.13 -1.73 -0.72 132.00 133.65 2hhb h PRO 37 Ca 0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.30 2hhb h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2hhb h PRO 37 CO 0.56 0.00 -0.08 1.79 -0.23 0.00 0.00 178.00 180.05 2hhb h THR 38 N 0.00 0.43 0.00 1.56 1.35 -1.91 -1.42 112.91 112.93 2hhb h THR 38 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2hhb h THR 38 Cb 0.08 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2hhb h THR 38 CO -0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.05 2hhb h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.45 -2.37 112.91 117.26 2hhb h THR 39 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2hhb h THR 39 Cb 0.26 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2hhb h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 2hhb h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.45 -2.54 116.57 118.87 2hhb h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hhb h LYS 40 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2hhb h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 2hhb h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.60 -1.71 112.91 110.78 2hhb h THR 41 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2hhb h THR 41 Cb 0.43 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2hhb h THR 41 CO 0.00 0.00 -0.49 -1.22 -0.25 0.00 0.00 175.52 173.56 2hhb n TYR 42 N -2.56 0.00 -2.37 4.73 4.01 -0.96 -4.38 117.16 115.64 2hhb n TYR 42 Ca -0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 2hhb n TYR 42 Cb 0.14 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.01 2hhb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2hhb n PHE 43 N -1.17 2.94 0.37 -0.72 3.01 -0.64 -4.84 117.46 116.40 2hhb n PHE 43 Ca 0.07 -2.78 0.13 0.00 1.01 0.00 0.00 57.45 55.89 2hhb n PHE 43 Cb 0.35 -0.19 0.54 0.00 -0.01 0.00 0.00 39.48 40.17 2hhb n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2hhb h PRO 44 N 2.49 0.00 -0.23 -1.08 0.13 -1.76 -2.53 132.00 129.01 2hhb h PRO 44 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2hhb h PRO 44 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2hhb h PRO 44 CO 0.77 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.15 2hhb n HIS 45 N -2.42 0.29 -4.05 1.56 1.44 -1.26 -4.91 115.22 105.88 2hhb n HIS 45 Ca 0.02 -0.15 -0.32 0.00 -2.01 0.00 0.00 57.72 55.26 2hhb n HIS 45 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 2hhb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2hhb s PHE 46 N -1.71 3.29 -0.46 -1.40 2.99 -0.96 -5.06 117.98 114.67 2hhb s PHE 46 Ca 0.35 0.17 -0.29 0.00 0.00 0.00 0.00 56.93 57.15 2hhb s PHE 46 Cb 0.20 -1.70 0.03 0.00 0.00 0.00 0.00 43.02 41.54 2hhb s PHE 46 CO 0.29 0.55 1.20 0.34 -0.00 0.00 0.00 175.22 177.59 2hhb s ASP 47 N -2.09 6.57 -0.26 1.36 2.15 -1.26 -4.88 116.67 118.27 2hhb s ASP 47 Ca 0.27 0.55 0.07 0.00 0.43 0.00 0.00 52.55 53.87 2hhb s ASP 47 Cb -0.12 -2.55 0.57 0.00 -0.30 0.00 0.00 42.92 40.52 2hhb s ASP 47 CO 0.19 -1.29 1.58 0.18 -0.17 0.00 0.00 175.17 175.66 2hhb n LEU 48 N 8.04 5.24 -4.87 -1.34 4.77 -1.26 -4.52 117.00 123.06 2hhb n LEU 48 Ca 0.13 -2.73 -0.31 0.00 -0.03 0.00 0.00 56.01 53.07 2hhb n LEU 48 Cb 0.49 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2hhb n LEU 48 CO 0.71 0.73 0.71 -0.94 -1.33 0.00 0.00 177.39 177.27 2hhb s SER 49 N -0.67 6.30 0.13 -1.43 1.04 -1.26 -4.92 113.70 112.89 2hhb s SER 49 Ca 0.43 1.44 -0.33 0.00 0.48 0.00 0.00 55.95 57.97 2hhb s SER 49 Cb 0.34 -2.47 -0.12 0.00 0.10 0.00 0.00 66.02 63.87 2hhb s SER 49 CO 0.10 -0.81 1.74 1.57 0.98 0.00 0.00 173.24 176.83 2hhb n HIS 50 N -2.52 2.52 -0.69 5.02 -0.00 -1.26 -1.69 115.22 116.60 2hhb n HIS 50 Ca 0.06 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.27 2hhb n HIS 50 Cb 0.54 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 2hhb n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2hhb n GLY 51 N 3.96 0.71 3.75 1.57 0.00 -1.26 -5.01 105.19 108.91 2hhb n GLY 51 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2hhb n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hhb s SER 52 N -2.29 5.41 0.46 1.61 1.04 -0.68 -4.83 113.70 114.42 2hhb s SER 52 Ca 0.00 2.78 0.13 0.00 0.48 0.00 0.00 55.95 59.34 2hhb s SER 52 Cb 0.00 -2.64 1.06 0.00 0.10 0.00 0.00 66.02 64.55 2hhb s SER 52 CO 0.00 -1.48 2.05 0.00 0.98 0.00 0.00 173.24 174.79 2hhb h ALA 53 N 1.64 1.96 -0.40 5.32 0.00 -1.91 -1.22 119.26 124.66 2hhb h ALA 53 Ca -0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 2hhb h ALA 53 Cb 1.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2hhb h ALA 53 CO 0.58 -0.03 -0.14 1.96 0.00 0.00 0.00 179.25 181.62 2hhb h GLN 54 N 0.33 0.79 -0.24 0.00 4.20 -1.90 0.18 115.11 118.47 2hhb h GLN 54 Ca 0.17 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2hhb h GLN 54 Cb 0.27 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2hhb h GLN 54 CO -0.04 0.94 -0.13 0.28 -0.67 0.00 0.00 178.83 179.22 2hhb h VAL 55 N 0.60 1.30 -0.62 -0.54 2.07 -1.67 -0.51 116.25 116.88 2hhb h VAL 55 Ca 0.09 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2hhb h VAL 55 Cb 0.68 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2hhb h VAL 55 CO 0.05 0.38 0.36 0.11 0.02 0.00 0.00 177.57 178.48 2hhb h LYS 56 N 0.23 0.67 -0.38 1.57 1.57 -1.17 0.17 116.57 119.23 2hhb h LYS 56 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2hhb h LYS 56 Cb 0.64 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2hhb h LYS 56 CO 0.04 0.44 0.21 0.78 -0.57 0.00 0.00 179.45 180.35 2hhb h GLY 57 N 0.69 0.56 1.33 3.86 0.00 -0.58 -2.15 103.07 106.78 2hhb h GLY 57 Ca 0.27 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2hhb h GLY 57 CO -0.14 0.24 -0.23 0.84 0.00 0.00 0.00 176.54 177.25 2hhb h HIS 58 N 0.48 0.88 -0.72 5.60 -0.00 -0.68 -2.24 115.15 118.47 2hhb h HIS 58 Ca 0.13 -0.20 0.11 0.00 -0.00 0.00 0.00 60.37 60.42 2hhb h HIS 58 Cb 0.05 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.17 2hhb h HIS 58 CO -0.03 0.92 0.33 0.78 -0.00 0.00 0.00 177.93 179.93 2hhb h GLY 59 N 0.96 1.09 1.21 5.26 0.00 -0.50 0.14 103.07 111.23 2hhb h GLY 59 Ca 0.09 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2hhb h GLY 59 CO 0.06 -0.01 -0.05 1.70 0.00 0.00 0.00 176.54 178.24 2hhb h LYS 60 N 0.53 0.94 -0.47 4.80 3.64 -1.10 -0.38 116.57 124.54 2hhb h LYS 60 Ca 0.38 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 2hhb h LYS 60 Cb 0.48 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2hhb h LYS 60 CO -0.32 0.96 -0.17 0.87 -2.27 0.00 0.00 179.45 178.52 2hhb h LYS 61 N 0.86 0.90 -0.21 1.90 1.57 -0.68 0.12 116.57 121.03 2hhb h LYS 61 Ca 0.15 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2hhb h LYS 61 Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2hhb h LYS 61 CO 0.03 1.00 0.08 0.28 -0.57 0.00 0.00 179.45 180.27 2hhb h VAL 62 N 0.80 1.18 -0.84 0.50 2.07 -0.42 -2.49 116.25 117.04 2hhb h VAL 62 Ca 0.12 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2hhb h VAL 62 Cb 0.71 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2hhb h VAL 62 CO 0.05 0.18 0.48 0.00 0.02 0.00 0.00 177.57 178.30 2hhb h ALA 63 N 0.91 1.08 -0.56 1.67 0.00 -0.96 -0.69 119.26 120.71 2hhb h ALA 63 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2hhb h ALA 63 Cb 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2hhb h ALA 63 CO -0.00 0.57 0.00 -0.44 0.00 0.00 0.00 179.25 179.38 2hhb h ASP 64 N 1.17 0.93 -0.94 0.00 3.32 -0.84 0.93 116.42 120.99 2hhb h ASP 64 Ca 0.30 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2hhb h ASP 64 Cb 0.00 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2hhb h ASP 64 CO -0.05 0.99 0.56 0.00 -1.72 0.00 0.00 179.24 179.02 2hhb h ALA 65 N 1.11 1.22 -0.50 3.45 0.00 -1.00 0.20 119.26 123.74 2hhb h ALA 65 Ca 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2hhb h ALA 65 Cb 0.51 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2hhb h ALA 65 CO 0.03 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.77 2hhb h LEU 66 N 1.30 0.94 -0.72 0.00 3.38 -0.56 -0.89 115.31 118.76 2hhb h LEU 66 Ca 0.34 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hhb h LEU 66 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2hhb h LEU 66 CO -0.06 1.07 0.46 0.74 0.09 0.00 0.00 178.44 180.75 2hhb h THR 67 N 0.80 1.14 -0.93 0.22 2.02 -0.31 0.57 112.91 116.40 2hhb h THR 67 Ca 0.13 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2hhb h THR 67 Cb 0.65 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2hhb h THR 67 CO 0.04 0.17 0.61 -1.13 0.37 0.00 0.00 175.52 175.58 2hhb h ASN 68 N 0.92 0.97 0.24 4.18 -1.24 -0.29 -1.32 115.58 119.05 2hhb h ASN 68 Ca 0.28 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 57.08 2hhb h ASN 68 Cb -0.04 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.80 2hhb h ASN 68 CO -0.09 0.64 -0.82 0.00 -1.29 0.00 0.00 177.43 175.87 2hhb h ALA 69 N 1.48 0.47 -0.64 1.57 0.00 0.19 -2.10 119.26 120.23 2hhb h ALA 69 Ca 0.39 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2hhb h ALA 69 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2hhb h ALA 69 CO -0.14 0.77 0.25 0.28 0.00 0.00 0.00 179.25 180.42 2hhb h VAL 70 N 0.29 1.22 -0.25 0.00 2.07 -0.65 -1.56 116.25 117.37 2hhb h VAL 70 Ca -0.05 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2hhb h VAL 70 Cb 1.43 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2hhb h VAL 70 CO 0.14 0.28 0.02 0.00 0.02 0.00 0.00 177.57 178.04 2hhb h ALA 71 N 1.35 1.57 -1.15 1.67 0.00 -1.01 -3.14 119.26 118.55 2hhb h ALA 71 Ca 0.22 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.44 2hhb h ALA 71 Cb 0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 17.79 17.44 2hhb h ALA 71 CO -0.02 0.32 -0.81 0.72 0.00 0.00 0.00 179.25 179.46 2hhb n HIS 72 N -4.36 2.94 0.28 0.00 8.25 -0.81 -4.84 115.22 116.68 2hhb n HIS 72 Ca 0.01 -2.72 0.14 0.00 -0.26 0.00 0.00 57.72 54.88 2hhb n HIS 72 Cb 0.19 -0.20 0.80 0.00 1.12 0.00 0.00 29.99 31.89 2hhb n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2hhb h VAL 73 N 2.59 0.55 -0.00 1.59 3.04 -1.26 0.05 116.25 122.82 2hhb h VAL 73 Ca 0.28 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 2hhb h VAL 73 Cb 1.19 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 2hhb h VAL 73 CO 0.77 0.07 -0.06 0.47 -1.01 0.00 0.00 177.57 177.81 2hhb n ASP 74 N -3.72 0.16 -2.76 3.17 8.00 -1.26 -4.04 116.55 116.09 2hhb n ASP 74 Ca -0.02 -0.15 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 2hhb n ASP 74 Cb 0.18 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.11 2hhb n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2hhb n ASP 75 N -1.25 0.56 -0.15 -2.24 2.03 -0.03 -4.99 116.55 110.48 2hhb n ASP 75 Ca 0.13 -2.20 -0.09 0.00 0.52 0.00 0.00 54.79 53.15 2hhb n ASP 75 Cb 0.27 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 2hhb n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2hhb h MET 76 N 2.22 0.66 -0.88 -0.67 2.86 -1.61 -0.57 114.93 116.94 2hhb h MET 76 Ca -0.22 -0.11 0.17 0.00 -2.06 0.00 0.00 59.70 57.48 2hhb h MET 76 Cb 1.27 -0.11 -0.16 0.00 0.06 0.00 0.00 31.60 32.65 2hhb h MET 76 CO 0.12 0.59 -0.25 -1.00 1.06 0.00 0.00 176.91 177.43 2hhb h PRO 77 N 0.57 -0.01 -0.04 -0.22 0.13 -1.94 0.04 132.00 130.53 2hhb h PRO 77 Ca 0.15 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.07 2hhb h PRO 77 Cb 0.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2hhb h PRO 77 CO -0.01 -0.01 -0.86 -0.91 -0.23 0.00 0.00 178.00 175.98 2hhb h ASN 78 N -0.01 0.57 -0.22 1.44 4.21 -1.83 -2.93 115.58 116.82 2hhb h ASN 78 Ca 0.41 -0.42 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 2hhb h ASN 78 Cb 0.64 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 2hhb h ASN 78 CO -0.91 1.20 -0.25 0.00 -1.29 0.00 0.00 177.43 176.17 2hhb h ALA 79 N 0.77 0.90 -0.63 -0.83 0.00 -0.06 -2.93 119.26 116.48 2hhb h ALA 79 Ca -0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2hhb h ALA 79 Cb 1.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2hhb h ALA 79 CO 0.15 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.30 2hhb n LEU 80 N -4.10 4.68 -0.37 0.00 4.77 -0.10 -4.67 117.00 117.21 2hhb n LEU 80 Ca -0.00 -2.36 0.02 0.00 -0.03 0.00 0.00 56.01 53.64 2hhb n LEU 80 Cb 0.44 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 41.13 2hhb n LEU 80 CO 0.44 0.78 1.27 -1.28 -1.33 0.00 0.00 177.39 177.27 2hhb h SER 81 N 3.98 1.04 -0.51 -1.43 0.87 -1.32 0.12 113.55 116.29 2hhb h SER 81 Ca 0.00 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2hhb h SER 81 Cb 1.44 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2hhb h SER 81 CO 0.24 0.68 0.03 0.00 -0.53 0.00 0.00 176.83 177.25 2hhb h ALA 82 N 1.45 0.69 -0.08 6.23 0.00 -1.85 -1.39 119.26 124.31 2hhb h ALA 82 Ca 0.42 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2hhb h ALA 82 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2hhb h ALA 82 CO -0.16 0.47 -0.74 1.25 0.00 0.00 0.00 179.25 180.07 2hhb h LEU 83 N 0.75 0.52 -1.10 0.00 5.85 -1.39 -2.07 115.31 117.87 2hhb h LEU 83 Ca 0.15 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 2hhb h LEU 83 Cb 0.48 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2hhb h LEU 83 CO 0.02 1.09 0.01 0.77 -0.34 0.00 0.00 178.44 179.99 2hhb h SER 84 N 0.29 0.60 -0.53 1.25 4.64 -0.66 -0.82 113.55 118.33 2hhb h SER 84 Ca -0.03 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2hhb h SER 84 Cb 1.32 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2hhb h SER 84 CO 0.13 0.67 -0.05 0.44 -0.87 0.00 0.00 176.83 177.14 2hhb h ASP 85 N 0.61 0.97 -0.52 4.97 3.32 -0.97 -1.33 116.42 123.47 2hhb h ASP 85 Ca 0.13 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 2hhb h ASP 85 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2hhb h ASP 85 CO 0.01 1.07 0.20 0.25 -1.72 0.00 0.00 179.24 179.05 2hhb h LEU 86 N 0.85 0.72 -0.39 1.55 5.85 -1.08 0.17 115.31 122.98 2hhb h LEU 86 Ca 0.14 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 2hhb h LEU 86 Cb 0.60 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2hhb h LEU 86 CO 0.04 0.70 -0.74 0.45 -0.34 0.00 0.00 178.44 178.55 2hhb h HIS 87 N 0.70 0.54 -0.13 1.25 3.86 -1.13 -0.94 115.15 119.30 2hhb h HIS 87 Ca 0.17 -0.24 -0.20 0.00 -1.16 0.00 0.00 60.37 58.94 2hhb h HIS 87 Cb 0.21 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2hhb h HIS 87 CO 0.01 1.00 -0.72 0.00 0.86 0.00 0.00 177.93 179.08 2hhb h ALA 88 N 0.93 0.49 0.00 2.45 0.00 -0.82 0.14 119.26 122.44 2hhb h ALA 88 Ca -0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2hhb h ALA 88 Cb 1.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2hhb h ALA 88 CO 0.13 0.72 -1.92 0.72 0.00 0.00 0.00 179.25 178.90 2hhb n HIS 89 N -3.90 0.00 0.00 0.00 8.25 0.56 -4.60 115.22 115.53 2hhb n HIS 89 Ca -0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 2hhb n HIS 89 Cb 0.71 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 2hhb n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hhb n LYS 90 N -2.27 0.15 0.01 -0.41 4.76 -0.80 -4.86 118.16 114.73 2hhb n LYS 90 Ca -0.10 0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.22 2hhb n LYS 90 Cb 0.64 -0.76 -0.12 0.00 -1.84 0.00 0.00 35.03 32.95 2hhb n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2hhb h LEU 91 N -0.28 0.46 -1.83 -0.35 3.38 -1.29 -3.48 115.31 111.92 2hhb h LEU 91 Ca -0.03 -0.82 -0.35 0.00 0.09 0.00 0.00 57.88 56.76 2hhb h LEU 91 Cb 0.43 -0.14 0.14 0.00 0.09 0.00 0.00 40.66 41.17 2hhb h LEU 91 CO -0.02 1.23 -0.80 0.54 0.09 0.00 0.00 178.44 179.48 2hhb n ARG 92 N -4.24 -5.43 -2.58 1.13 1.74 0.47 -4.95 116.66 102.79 2hhb n ARG 92 Ca -0.11 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 2hhb n ARG 92 Cb 0.69 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.50 2hhb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hhb s VAL 93 N -3.46 4.36 0.36 1.55 1.01 -1.26 -4.97 120.40 117.98 2hhb s VAL 93 Ca 0.07 1.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 2hhb s VAL 93 Cb -0.01 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 2hhb s VAL 93 CO 0.76 0.19 1.45 -0.62 0.00 0.00 0.00 175.10 176.88 2hhb s ASP 94 N 0.66 6.46 0.58 3.32 2.15 -1.26 -4.83 116.67 123.75 2hhb s ASP 94 Ca 0.53 2.95 0.28 0.00 0.43 0.00 0.00 52.55 56.74 2hhb s ASP 94 Cb -0.26 -2.66 1.55 0.00 -0.30 0.00 0.00 42.92 41.25 2hhb s ASP 94 CO 0.30 -0.79 2.00 -0.65 -0.17 0.00 0.00 175.17 175.86 2hhb h PRO 95 N 3.30 0.00 0.00 4.34 0.11 -2.00 -1.94 132.00 135.81 2hhb h PRO 95 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2hhb h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hhb h PRO 95 CO 0.66 0.00 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.11 2hhb h VAL 96 N 0.00 0.94 0.00 3.15 3.04 -2.03 -2.41 116.25 118.94 2hhb h VAL 96 Ca 0.16 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2hhb h VAL 96 Cb 0.83 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2hhb h VAL 96 CO -0.00 0.10 0.00 0.78 -1.01 0.00 0.00 177.57 177.44 2hhb h ASN 97 N 0.00 0.00 -0.37 3.17 2.35 -1.71 -2.81 115.58 116.21 2hhb h ASN 97 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2hhb h ASN 97 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2hhb h ASN 97 CO 0.01 0.00 0.07 -0.26 -1.65 0.00 0.00 177.43 175.60 2hhb h PHE 98 N 0.00 0.72 -0.56 1.19 0.04 -1.62 -2.15 116.94 114.56 2hhb h PHE 98 Ca 0.00 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2hhb h PHE 98 Cb 0.69 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2hhb h PHE 98 CO 0.00 0.64 0.10 0.87 -0.60 0.00 0.00 178.31 179.33 2hhb h LYS 99 N 0.67 0.89 -0.12 1.51 1.57 -1.64 -0.61 116.57 118.83 2hhb h LYS 99 Ca 0.15 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 2hhb h LYS 99 Cb 0.32 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.51 2hhb h LYS 99 CO 0.00 0.82 -0.54 -0.07 -0.57 0.00 0.00 179.45 179.09 2hhb h LEU 100 N 0.85 0.69 -0.71 2.94 3.38 -1.46 -1.84 115.31 119.16 2hhb h LEU 100 Ca 0.18 -0.63 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2hhb h LEU 100 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2hhb h LEU 100 CO 0.01 1.21 -0.19 0.25 0.09 0.00 0.00 178.44 179.80 2hhb h LEU 101 N 0.22 0.80 -0.38 1.67 5.85 -1.33 -2.41 115.31 119.73 2hhb h LEU 101 Ca -0.03 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.43 2hhb h LEU 101 Cb 1.18 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2hhb h LEU 101 CO 0.11 0.98 0.21 0.28 -0.34 0.00 0.00 178.44 179.69 2hhb h SER 102 N 0.70 0.34 -0.64 1.25 0.02 -1.00 0.27 113.55 114.49 2hhb h SER 102 Ca 0.10 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2hhb h SER 102 Cb 0.70 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 2hhb h SER 102 CO 0.05 0.24 0.31 -0.74 -1.14 0.00 0.00 176.83 175.55 2hhb h HIS 103 N 0.43 0.55 0.00 3.45 -0.00 -1.20 -0.48 115.15 117.91 2hhb h HIS 103 Ca 0.16 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.44 2hhb h HIS 103 Cb 0.03 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 2hhb h HIS 103 CO -0.08 0.21 -0.51 0.00 -0.00 0.00 0.00 177.93 177.55 2hhb h LEU 105 N 0.00 0.71 -0.59 0.00 5.85 -0.54 -1.54 115.31 119.20 2hhb h LEU 105 Ca -0.01 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2hhb h LEU 105 Cb 1.14 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2hhb h LEU 105 CO 0.07 1.24 0.19 0.25 -0.34 0.00 0.00 178.44 179.85 2hhb h LEU 106 N 0.41 0.85 -1.02 2.25 5.85 -0.64 -0.07 115.31 122.93 2hhb h LEU 106 Ca -0.04 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2hhb h LEU 106 Cb 1.36 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2hhb h LEU 106 CO 0.14 0.83 0.59 0.58 -0.34 0.00 0.00 178.44 180.24 2hhb h VAL 107 N 0.83 1.25 -0.31 1.05 2.07 -1.05 0.67 116.25 120.76 2hhb h VAL 107 Ca 0.19 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 2hhb h VAL 107 Cb 0.27 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2hhb h VAL 107 CO -0.01 0.25 -0.19 0.74 0.02 0.00 0.00 177.57 178.39 2hhb h THR 108 N 1.28 1.29 -0.57 2.57 2.02 -0.62 -2.00 112.91 116.88 2hhb h THR 108 Ca 0.34 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 2hhb h THR 108 Cb -0.10 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2hhb h THR 108 CO -0.07 0.42 0.23 -0.07 0.37 0.00 0.00 175.52 176.41 2hhb h LEU 109 N 0.43 0.78 -1.02 2.58 4.07 -0.69 -2.60 115.31 118.87 2hhb h LEU 109 Ca 0.06 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 57.89 2hhb h LEU 109 Cb 0.73 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.21 2hhb h LEU 109 CO 0.05 0.74 0.66 0.00 -1.08 0.00 0.00 178.44 178.81 2hhb h ALA 110 N 1.08 1.33 0.00 1.53 0.00 -0.62 1.00 119.26 123.58 2hhb h ALA 110 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2hhb h ALA 110 Cb 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2hhb h ALA 110 CO -0.02 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2hhb h ALA 111 N 1.41 1.00 0.00 0.00 0.00 -1.02 -3.27 119.26 117.37 2hhb h ALA 111 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2hhb h ALA 111 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hhb h ALA 111 CO -0.11 0.00 -0.99 0.72 0.00 0.00 0.00 179.25 178.86 2hhb n HIS 112 N -2.91 0.00 -3.05 0.00 -0.00 -0.72 -4.78 115.22 103.75 2hhb n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 2hhb n HIS 112 Cb 0.27 -0.10 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 2hhb n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hhb n LEU 113 N -1.55 3.89 -0.24 2.41 4.77 0.27 -4.93 117.00 121.62 2hhb n LEU 113 Ca -0.00 -5.55 0.04 0.00 -0.03 0.00 0.00 56.01 50.46 2hhb n LEU 113 Cb 0.14 -0.42 0.16 0.00 -2.33 0.00 0.00 43.42 40.97 2hhb n LEU 113 CO 0.13 2.29 0.96 1.55 -1.33 0.00 0.00 177.39 180.99 2hhb h PRO 114 N 3.21 0.33 0.00 3.23 0.13 -1.83 -2.30 132.00 134.77 2hhb h PRO 114 Ca 0.14 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.07 2hhb h PRO 114 Cb 0.59 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2hhb h PRO 114 CO 0.78 0.22 -0.85 0.00 -0.23 0.00 0.00 178.00 177.92 2hhb h ALA 115 N 1.54 0.60 0.00 -0.56 0.00 -1.94 -3.34 119.26 115.56 2hhb h ALA 115 Ca 0.38 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2hhb h ALA 115 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hhb h ALA 115 CO -0.43 1.05 -1.21 0.39 0.00 0.00 0.00 179.25 179.05 2hhb n GLU 116 N -3.54 0.50 -1.47 0.00 4.71 -1.02 -4.62 120.64 115.20 2hhb n GLU 116 Ca -0.01 0.01 -0.40 0.00 -0.01 0.00 0.00 57.16 56.76 2hhb n GLU 116 Cb 0.81 -1.68 -0.02 0.00 -1.01 0.00 0.00 31.44 29.54 2hhb n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2hhb n PHE 117 N -2.33 2.76 -1.98 -0.32 7.35 -0.90 -4.75 117.46 117.28 2hhb n PHE 117 Ca -0.00 -3.05 -0.29 0.00 -0.76 0.00 0.00 57.45 53.35 2hhb n PHE 117 Cb 0.51 -2.49 0.07 0.00 0.35 0.00 0.00 39.48 37.92 2hhb n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2hhb s THR 118 N 2.34 2.59 0.24 -2.13 -4.23 -1.26 -4.76 115.64 108.44 2hhb s THR 118 Ca 0.62 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.17 2hhb s THR 118 Cb 0.17 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 71.04 2hhb s THR 118 CO -0.07 -0.22 1.72 -0.65 -0.54 0.00 0.00 174.62 174.87 2hhb h PRO 119 N -0.80 0.38 -0.16 3.99 0.11 -1.99 0.18 132.00 133.71 2hhb h PRO 119 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 2hhb h PRO 119 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2hhb h PRO 119 CO 0.64 0.25 -0.49 0.00 -0.21 0.00 0.00 178.00 178.19 2hhb h ALA 120 N 1.53 0.85 -0.08 -0.75 0.00 -1.96 -1.58 119.26 117.27 2hhb h ALA 120 Ca 0.39 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2hhb h ALA 120 Cb 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2hhb h ALA 120 CO -0.41 0.67 -0.83 0.28 0.00 0.00 0.00 179.25 178.96 2hhb h VAL 121 N 0.34 1.30 -0.55 0.00 2.07 -1.59 -1.65 116.25 116.17 2hhb h VAL 121 Ca 0.02 -2.06 0.11 0.00 0.82 0.00 0.00 66.70 65.59 2hhb h VAL 121 Cb 0.99 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 2hhb h VAL 121 CO 0.09 0.64 0.02 -0.74 0.02 0.00 0.00 177.57 177.60 2hhb h HIS 122 N 0.38 0.00 -0.54 1.57 6.17 -0.59 0.43 115.15 122.58 2hhb h HIS 122 Ca -0.08 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 2hhb h HIS 122 Cb 1.47 0.08 -0.03 0.00 2.52 0.00 0.00 27.41 31.46 2hhb h HIS 122 CO 0.10 -0.12 0.31 0.00 0.71 0.00 0.00 177.93 178.94 2hhb h ALA 123 N 1.49 0.69 -0.50 5.26 0.00 -1.12 -0.88 119.26 124.18 2hhb h ALA 123 Ca 0.28 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2hhb h ALA 123 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2hhb h ALA 123 CO -0.45 0.20 -0.16 0.77 0.00 0.00 0.00 179.25 179.60 2hhb h SER 124 N 0.73 1.02 0.04 0.00 0.02 -0.28 -1.61 113.55 113.46 2hhb h SER 124 Ca 0.19 -0.38 -0.13 0.00 -0.84 0.00 0.00 61.79 60.64 2hhb h SER 124 Cb 0.02 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2hhb h SER 124 CO -0.03 1.16 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.32 2hhb h LEU 125 N 0.87 0.52 -0.69 5.07 3.38 0.06 0.27 115.31 124.78 2hhb h LEU 125 Ca 0.12 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2hhb h LEU 125 Cb 0.74 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2hhb h LEU 125 CO 0.06 0.88 0.05 -0.78 0.09 0.00 0.00 178.44 178.74 2hhb h ASP 126 N 0.40 1.03 -0.11 -0.43 3.58 -0.89 -0.87 116.42 119.13 2hhb h ASP 126 Ca 0.03 -0.27 -0.17 0.00 0.42 0.00 0.00 57.03 57.05 2hhb h ASP 126 Cb 0.92 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 2hhb h ASP 126 CO 0.08 1.05 -0.53 0.50 -2.88 0.00 0.00 179.24 177.46 2hhb h LYS 127 N 0.98 0.69 -0.57 0.28 3.64 -1.01 -0.98 116.57 119.59 2hhb h LYS 127 Ca 0.18 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 2hhb h LYS 127 Cb 0.50 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2hhb h LYS 127 CO 0.02 1.04 0.34 0.35 -2.27 0.00 0.00 179.45 178.93 2hhb h PHE 128 N 0.53 0.77 -0.07 1.91 3.57 -0.67 -1.54 116.94 121.44 2hhb h PHE 128 Ca 0.02 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2hhb h PHE 128 Cb 1.09 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 2hhb h PHE 128 CO 0.05 0.54 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.08 2hhb h LEU 129 N 0.77 0.20 -0.87 0.59 3.38 -0.94 -0.51 115.31 117.94 2hhb h LEU 129 Ca 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2hhb h LEU 129 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2hhb h LEU 129 CO -0.04 0.69 0.31 0.00 0.09 0.00 0.00 178.44 179.49 2hhb h ALA 130 N 1.32 1.10 -0.31 1.53 0.00 -0.88 -1.09 119.26 120.92 2hhb h ALA 130 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2hhb h ALA 130 Cb 0.97 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2hhb h ALA 130 CO 0.08 0.65 -0.41 0.77 0.00 0.00 0.00 179.25 180.33 2hhb h SER 131 N 1.11 0.91 -0.46 0.00 0.02 -0.51 -0.24 113.55 114.39 2hhb h SER 131 Ca 0.26 -0.50 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 2hhb h SER 131 Cb 0.20 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2hhb h SER 131 CO -0.02 1.22 0.27 0.58 -1.14 0.00 0.00 176.83 177.74 2hhb h VAL 132 N 0.61 1.04 -0.82 2.27 2.07 -0.98 -0.70 116.25 119.74 2hhb h VAL 132 Ca 0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2hhb h VAL 132 Cb 1.01 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2hhb h VAL 132 CO 0.10 0.10 0.53 0.28 0.02 0.00 0.00 177.57 178.60 2hhb h SER 133 N 0.54 0.96 -0.54 0.57 0.02 -0.86 0.49 113.55 114.73 2hhb h SER 133 Ca 0.18 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2hhb h SER 133 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2hhb h SER 133 CO -0.09 0.71 -0.11 0.74 -1.14 0.00 0.00 176.83 176.95 2hhb h THR 134 N 1.12 1.27 -0.20 -2.27 2.02 -0.57 -2.26 112.91 112.01 2hhb h THR 134 Ca 0.30 -1.27 -0.18 0.00 0.77 0.00 0.00 66.41 66.03 2hhb h THR 134 Cb -0.10 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2hhb h THR 134 CO -0.06 0.45 -0.61 0.58 0.37 0.00 0.00 175.52 176.25 2hhb h VAL 135 N 0.92 1.30 0.00 3.16 2.07 -0.35 -2.49 116.25 120.86 2hhb h VAL 135 Ca 0.14 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2hhb h VAL 135 Cb 0.68 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2hhb h VAL 135 CO 0.05 0.58 0.00 -0.07 0.02 0.00 0.00 177.57 178.15 2hhb h LEU 136 N 0.51 0.00 -1.91 2.57 3.38 -0.72 -2.64 115.31 116.49 2hhb h LEU 136 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2hhb h LEU 136 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2hhb h LEU 136 CO 0.12 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.06 2hhb n THR 137 N -2.48 0.18 -0.29 0.22 -1.04 -0.87 -4.51 114.28 105.48 2hhb n THR 137 Ca 0.02 -0.59 0.06 0.00 -2.04 0.00 0.00 64.05 61.50 2hhb n THR 137 Cb 0.26 1.23 0.28 0.00 -1.82 0.00 0.00 70.33 70.29 2hhb n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hhb h SER 138 N 3.61 0.83 -0.44 8.00 0.02 -1.06 -2.84 113.55 121.68 2hhb h SER 138 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2hhb h SER 138 Cb 0.80 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2hhb h SER 138 CO 0.00 0.50 0.00 0.29 -1.14 0.00 0.00 176.83 176.48 2hhb n LYS 139 N -4.52 3.42 0.20 3.45 5.02 -1.26 -4.57 118.16 119.90 2hhb n LYS 139 Ca 0.15 -2.74 0.04 0.00 -2.02 0.00 0.00 58.31 53.74 2hhb n LYS 139 Cb 0.28 -1.80 0.42 0.00 -0.02 0.00 0.00 35.03 33.91 2hhb n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2hhb h TYR 140 N 2.83 0.00 0.00 2.13 0.99 -1.83 -3.46 116.97 117.63 2hhb h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2hhb h TYR 140 Cb 1.37 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.10 2hhb h TYR 140 CO 0.60 0.32 0.00 2.89 -0.00 0.00 0.00 178.16 181.97