#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 4.14 0.76 7.52 1.43 -1.26 -5.03 118.68 126.24 2hhb s LEU 2 Ca 0.00 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 2hhb s LEU 2 Cb 0.00 -2.93 0.05 0.00 0.03 0.00 0.00 46.19 43.34 2hhb s LEU 2 CO 0.00 -0.57 1.09 -0.94 0.23 0.00 0.00 176.35 176.15 2hhb s SER 3 N 1.68 4.68 0.35 2.29 1.04 -1.26 -4.81 113.70 117.67 2hhb s SER 3 Ca 0.28 1.78 0.10 0.00 0.48 0.00 0.00 55.95 58.60 2hhb s SER 3 Cb -0.14 -2.52 0.87 0.00 0.10 0.00 0.00 66.02 64.33 2hhb s SER 3 CO 0.13 -1.92 1.82 -0.65 0.98 0.00 0.00 173.24 173.60 2hhb h PRO 4 N -1.04 0.62 -0.58 4.02 0.11 -1.99 0.60 132.00 133.73 2hhb h PRO 4 Ca -0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2hhb h PRO 4 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2hhb h PRO 4 CO 0.52 0.41 0.04 0.00 -0.21 0.00 0.00 178.00 178.76 2hhb h ALA 5 N 1.62 0.78 -0.90 -0.75 0.00 -1.99 -0.58 119.26 117.43 2hhb h ALA 5 Ca 0.52 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2hhb h ALA 5 Cb 0.96 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2hhb h ALA 5 CO -0.28 0.58 0.59 -0.44 0.00 0.00 0.00 179.25 179.71 2hhb h ASP 6 N 0.89 1.05 -0.64 0.00 3.32 -1.32 -0.43 116.42 119.30 2hhb h ASP 6 Ca 0.17 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2hhb h ASP 6 Cb 0.50 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2hhb h ASP 6 CO 0.02 0.77 0.17 0.11 -1.72 0.00 0.00 179.24 178.59 2hhb h LYS 7 N 1.23 1.01 -0.62 3.56 1.57 -0.65 0.11 116.57 122.79 2hhb h LYS 7 Ca 0.33 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2hhb h LYS 7 Cb -0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 2hhb h LYS 7 CO -0.07 0.91 0.32 1.15 -0.57 0.00 0.00 179.45 181.19 2hhb h THR 8 N 0.94 1.21 -0.60 -0.16 2.02 -0.76 -0.67 112.91 114.89 2hhb h THR 8 Ca 0.20 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2hhb h THR 8 Cb 0.34 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2hhb h THR 8 CO -0.00 0.24 0.26 0.78 0.37 0.00 0.00 175.52 177.17 2hhb h ASN 9 N 0.85 0.81 -0.26 4.18 2.35 -0.57 0.22 115.58 123.16 2hhb h ASN 9 Ca 0.22 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2hhb h ASN 9 Cb 0.09 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2hhb h ASN 9 CO -0.03 0.74 -0.34 0.58 -1.65 0.00 0.00 177.43 176.73 2hhb h VAL 10 N 0.83 1.31 -0.49 2.81 2.07 -0.57 -1.53 116.25 120.67 2hhb h VAL 10 Ca 0.20 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 2hhb h VAL 10 Cb 0.17 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2hhb h VAL 10 CO -0.02 0.49 0.08 0.11 0.02 0.00 0.00 177.57 178.24 2hhb h LYS 11 N 0.42 0.76 0.05 1.57 1.57 -1.00 -0.28 116.57 119.66 2hhb h LYS 11 Ca 0.03 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2hhb h LYS 11 Cb 0.93 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2hhb h LYS 11 CO 0.08 0.72 -0.02 0.00 -0.57 0.00 0.00 179.45 179.66 2hhb h ALA 12 N 1.36 -0.07 -0.01 3.86 0.00 -0.82 -1.23 119.26 122.36 2hhb h ALA 12 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hhb h ALA 12 Cb 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2hhb h ALA 12 CO 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 179.25 178.82 2hhb h ALA 13 N 0.63 -0.01 -0.08 0.00 0.00 -1.16 -1.94 119.26 116.70 2hhb h ALA 13 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2hhb h ALA 13 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2hhb h ALA 13 CO 0.01 -0.51 -0.35 2.35 0.00 0.00 0.00 179.25 180.75 2hhb h TRP 14 N -0.03 0.18 -0.05 0.00 2.91 -1.09 -2.36 115.95 115.51 2hhb h TRP 14 Ca 0.01 -0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.03 2hhb h TRP 14 Cb 0.04 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 2hhb h TRP 14 CO -0.10 0.49 -0.23 0.78 -1.03 0.00 0.00 178.44 178.35 2hhb h GLY 15 N 1.10 -0.30 2.00 2.65 0.00 -0.93 -0.14 103.07 107.45 2hhb h GLY 15 Ca 0.02 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2hhb h GLY 15 CO 0.05 -0.20 0.00 1.17 0.00 0.00 0.00 176.54 177.56 2hhb n LYS 16 N -5.36 0.07 -0.02 4.80 0.00 -0.75 -1.83 118.16 115.06 2hhb n LYS 16 Ca -0.04 0.38 -0.16 0.00 0.00 0.00 0.00 58.31 58.50 2hhb n LYS 16 Cb 0.27 -1.65 -0.12 0.00 0.00 0.00 0.00 35.03 33.53 2hhb n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2hhb h VAL 17 N 0.00 1.58 0.00 3.15 2.07 -0.60 -3.46 116.25 118.99 2hhb h VAL 17 Ca 0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2hhb h VAL 17 Cb 0.21 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2hhb h VAL 17 CO 0.00 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.76 2hhb n GLY 18 N 1.20 3.06 0.07 2.17 0.00 -0.72 -1.27 105.19 109.70 2hhb n GLY 18 Ca -0.10 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 11.21 1.91 1.61 4.61 0.00 -1.26 -2.84 120.51 135.75 2hhb n ALA 19 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2hhb n ALA 19 Cb 0.00 -1.38 0.62 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.93 0.00 -0.28 0.00 -0.00 -0.40 -4.43 115.22 108.18 2hhb n HIS 20 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.83 2hhb n HIS 20 Cb 0.28 -0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.44 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 4.27 0.84 -0.18 -1.41 0.00 -1.66 0.16 119.26 121.29 2hhb h ALA 21 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2hhb h ALA 21 Cb 0.39 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2hhb h ALA 21 CO 0.00 -0.45 0.11 0.78 0.00 0.00 0.00 179.25 179.69 2hhb h GLY 22 N 0.07 0.26 1.06 0.00 0.00 -1.85 -0.26 103.07 102.35 2hhb h GLY 22 Ca 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 2hhb h GLY 22 CO -0.75 0.10 0.38 -2.09 0.00 0.00 0.00 176.54 174.18 2hhb h GLU 23 N 0.22 1.21 -0.16 4.80 4.81 -1.08 -2.30 114.58 122.08 2hhb h GLU 23 Ca 0.07 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2hhb h GLU 23 Cb 0.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2hhb h GLU 23 CO -0.01 0.94 -0.42 1.88 -0.73 0.00 0.00 179.01 180.67 2hhb h TYR 24 N 1.19 0.43 -0.49 0.92 0.99 -0.74 -2.01 116.97 117.26 2hhb h TYR 24 Ca 0.28 -0.12 -0.02 0.00 2.00 0.00 0.00 58.73 60.88 2hhb h TYR 24 Cb 0.15 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 2hhb h TYR 24 CO 0.02 0.73 0.25 0.78 -0.00 0.00 0.00 178.16 179.93 2hhb h GLY 25 N 1.17 0.75 1.00 3.88 0.00 -0.66 -0.96 103.07 108.25 2hhb h GLY 25 Ca 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2hhb h GLY 25 CO 0.07 0.35 0.35 0.00 0.00 0.00 0.00 176.54 177.31 2hhb h ALA 26 N 1.09 0.85 -0.65 3.60 0.00 -1.33 -1.86 119.26 120.95 2hhb h ALA 26 Ca 0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2hhb h ALA 26 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2hhb h ALA 26 CO -0.02 0.38 0.23 1.49 0.00 0.00 0.00 179.25 181.32 2hhb h GLU 27 N 0.90 1.00 -0.81 0.00 4.81 -1.17 -1.46 114.58 117.85 2hhb h GLU 27 Ca 0.23 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2hhb h GLU 27 Cb 0.06 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2hhb h GLU 27 CO -0.03 0.86 0.53 0.00 -0.73 0.00 0.00 179.01 179.63 2hhb h ALA 28 N 1.09 1.05 -0.42 2.92 0.00 -0.96 0.23 119.26 123.17 2hhb h ALA 28 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2hhb h ALA 28 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2hhb h ALA 28 CO -0.01 0.39 0.22 -0.07 0.00 0.00 0.00 179.25 179.78 2hhb h LEU 29 N 1.06 0.52 -0.49 0.00 3.38 -0.94 -0.94 115.31 117.90 2hhb h LEU 29 Ca 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2hhb h LEU 29 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2hhb h LEU 29 CO -0.09 0.47 0.25 -0.08 0.09 0.00 0.00 178.44 179.08 2hhb h GLU 30 N 0.54 0.69 -0.58 1.13 4.81 -0.74 0.79 114.58 121.21 2hhb h GLU 30 Ca 0.15 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2hhb h GLU 30 Cb 0.07 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2hhb h GLU 30 CO -0.02 0.57 0.35 0.00 -0.73 0.00 0.00 179.01 179.17 2hhb h ARG 31 N 0.64 0.66 -0.31 1.92 3.08 -0.26 -2.06 114.38 118.05 2hhb h ARG 31 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2hhb h ARG 31 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2hhb h ARG 31 CO -0.02 0.44 0.16 1.98 -1.07 0.00 0.00 179.97 181.45 2hhb h MET 32 N 0.68 0.44 -0.24 0.04 4.05 -0.43 0.05 114.93 119.53 2hhb h MET 32 Ca 0.24 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2hhb h MET 32 Cb 0.04 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2hhb h MET 32 CO -0.11 0.40 -0.12 0.74 0.23 0.00 0.00 176.91 178.05 2hhb h PHE 33 N 0.37 0.41 0.24 1.39 0.04 -0.64 -0.43 116.94 118.32 2hhb h PHE 33 Ca 0.11 -0.05 -0.34 0.00 2.80 0.00 0.00 57.97 60.48 2hhb h PHE 33 Cb 0.09 -0.11 0.03 0.00 2.20 0.00 0.00 35.95 38.16 2hhb h PHE 33 CO -0.02 0.50 -1.54 -0.07 -0.60 0.00 0.00 178.31 176.58 2hhb h LEU 34 N 0.36 0.78 0.00 1.54 3.38 -1.18 -3.30 115.31 116.89 2hhb h LEU 34 Ca 0.07 -0.90 -0.19 0.00 0.09 0.00 0.00 57.88 56.96 2hhb h LEU 34 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2hhb h LEU 34 CO 0.02 1.72 -0.91 0.28 0.09 0.00 0.00 178.44 179.64 2hhb h SER 35 N 0.14 0.00 -2.29 -0.43 0.02 -0.92 -3.40 113.55 106.68 2hhb h SER 35 Ca -0.27 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.09 2hhb h SER 35 Cb 2.15 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.30 2hhb h SER 35 CO 0.25 0.89 -0.94 0.49 -1.14 0.00 0.00 176.83 176.38 2hhb n PHE 36 N -3.31 0.27 0.32 3.45 3.01 -0.18 -4.99 117.46 116.03 2hhb n PHE 36 Ca -0.00 -3.61 0.20 0.00 1.01 0.00 0.00 57.45 55.05 2hhb n PHE 36 Cb 0.90 -0.16 1.07 0.00 -0.01 0.00 0.00 39.48 41.27 2hhb n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2hhb h PRO 37 N 4.81 0.00 0.00 -1.08 0.10 -1.74 0.05 132.00 134.14 2hhb h PRO 37 Ca 0.17 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.25 2hhb h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.95 2hhb h PRO 37 CO 0.50 0.00 -0.12 1.79 0.10 0.00 0.00 178.00 180.26 2hhb h THR 38 N 0.00 0.82 0.00 -1.15 1.35 -1.91 -1.65 112.91 110.38 2hhb h THR 38 Ca 0.01 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 2hhb h THR 38 Cb 0.19 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2hhb h THR 38 CO -0.00 0.12 -0.03 0.71 -0.25 0.00 0.00 175.52 176.07 2hhb h THR 39 N 0.00 0.10 0.00 6.82 1.35 -1.30 -2.40 112.91 117.48 2hhb h THR 39 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2hhb h THR 39 Cb 0.26 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 2hhb h THR 39 CO 0.02 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.60 2hhb n LYS 40 N -3.18 0.18 0.18 4.72 5.02 -0.62 -2.56 118.16 121.90 2hhb n LYS 40 Ca -0.01 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 2hhb n LYS 40 Cb 0.23 -1.83 0.61 0.00 -0.02 0.00 0.00 35.03 34.02 2hhb n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2hhb h THR 41 N 0.00 0.00 -0.01 -0.18 1.35 -1.61 -1.43 112.91 111.03 2hhb h THR 41 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2hhb h THR 41 Cb 0.36 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2hhb h THR 41 CO 0.00 0.00 -0.17 -1.22 -0.25 0.00 0.00 175.52 173.88 2hhb n TYR 42 N -2.40 0.00 -2.59 4.73 4.01 -1.06 -4.37 117.16 115.49 2hhb n TYR 42 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 2hhb n TYR 42 Cb 0.15 -0.05 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.03 2.24 0.28 -0.72 3.01 -0.54 -4.86 117.46 116.83 2hhb n PHE 43 Ca 0.14 -2.97 0.17 0.00 1.01 0.00 0.00 57.45 55.80 2hhb n PHE 43 Cb 0.40 -0.24 0.73 0.00 -0.01 0.00 0.00 39.48 40.36 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 2.80 0.00 -0.23 -1.08 0.13 -1.76 -2.49 132.00 129.37 2hhb h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2hhb h PRO 44 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2hhb h PRO 44 CO 0.67 0.02 0.00 -2.39 -0.23 0.00 0.00 178.00 176.06 2hhb n HIS 45 N -3.12 0.30 -4.11 1.56 1.44 -1.26 -4.89 115.22 105.13 2hhb n HIS 45 Ca 0.00 -0.15 -0.27 0.00 -2.01 0.00 0.00 57.72 55.29 2hhb n HIS 45 Cb 0.29 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.33 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 -1.70 3.08 -0.38 -1.40 2.99 -0.94 -5.08 117.98 114.54 2hhb s PHE 46 Ca 0.33 -0.03 -0.27 0.00 0.00 0.00 0.00 56.93 56.96 2hhb s PHE 46 Cb 0.18 -1.50 0.02 0.00 0.00 0.00 0.00 43.02 41.72 2hhb s PHE 46 CO 0.27 0.52 1.02 0.34 -0.00 0.00 0.00 175.22 177.36 2hhb s ASP 47 N -2.89 6.73 -0.09 1.36 -1.08 -1.26 -4.93 116.67 114.50 2hhb s ASP 47 Ca 0.29 0.67 0.18 0.00 -0.52 0.00 0.00 52.55 53.17 2hhb s ASP 47 Cb -0.10 -2.51 0.68 0.00 -1.46 0.00 0.00 42.92 39.53 2hhb s ASP 47 CO 0.22 -0.97 1.58 0.18 0.52 0.00 0.00 175.17 176.70 2hhb n LEU 48 N 7.07 4.47 -4.76 -1.34 4.77 -1.26 -4.55 117.00 121.39 2hhb n LEU 48 Ca 0.10 -2.25 -0.32 0.00 -0.03 0.00 0.00 56.01 53.51 2hhb n LEU 48 Cb 0.48 -0.55 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2hhb n LEU 48 CO 0.62 0.80 0.72 -0.94 -1.33 0.00 0.00 177.39 177.26 2hhb s SER 49 N -0.89 4.68 0.14 -1.43 1.04 -1.26 -4.89 113.70 111.09 2hhb s SER 49 Ca 0.49 1.95 -0.32 0.00 0.48 0.00 0.00 55.95 58.55 2hhb s SER 49 Cb 0.31 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.77 2hhb s SER 49 CO 0.25 -1.92 1.81 1.57 0.98 0.00 0.00 173.24 175.93 2hhb n HIS 50 N -3.02 2.64 -0.31 5.02 -0.00 -1.26 -1.80 115.22 116.49 2hhb n HIS 50 Ca 0.10 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.19 2hhb n HIS 50 Cb 0.52 -2.71 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 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 4.15 0.69 3.67 1.57 0.00 -1.26 -5.02 105.19 108.99 2hhb n GLY 51 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 2hhb n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hhb n SER 52 N 0.00 3.21 -0.00 1.61 2.88 -0.74 -4.86 113.62 115.71 2hhb n SER 52 Ca 0.00 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 2hhb n SER 52 Cb 0.00 -1.40 0.53 0.00 -0.75 0.00 0.00 64.21 62.59 2hhb n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hhb h ALA 53 N 7.12 2.01 -0.62 -1.46 0.00 -1.91 -1.42 119.26 122.97 2hhb h ALA 53 Ca -0.46 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2hhb h ALA 53 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2hhb h ALA 53 CO 0.91 -0.10 0.03 1.96 0.00 0.00 0.00 179.25 182.05 2hhb h GLN 54 N 0.33 1.07 -0.25 0.00 4.20 -1.89 0.13 115.11 118.70 2hhb h GLN 54 Ca 0.20 -0.32 -0.19 0.00 0.06 0.00 0.00 58.65 58.40 2hhb h GLN 54 Cb 0.39 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2hhb h GLN 54 CO -0.05 1.03 -0.61 0.28 -0.67 0.00 0.00 178.83 178.81 2hhb h VAL 55 N 0.99 1.28 -0.68 -0.54 2.07 -1.65 -1.06 116.25 116.66 2hhb h VAL 55 Ca 0.18 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.86 2hhb h VAL 55 Cb 0.52 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2hhb h VAL 55 CO 0.03 0.58 0.26 0.11 0.02 0.00 0.00 177.57 178.56 2hhb h LYS 56 N 0.62 1.02 -0.29 1.57 1.57 -1.00 0.14 116.57 120.20 2hhb h LYS 56 Ca -0.00 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2hhb h LYS 56 Cb 1.22 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 2hhb h LYS 56 CO 0.13 0.84 -0.25 0.78 -0.57 0.00 0.00 179.45 180.38 2hhb h GLY 57 N 1.07 0.73 1.13 3.86 0.00 -0.58 -1.82 103.07 107.45 2hhb h GLY 57 Ca 0.23 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2hhb h GLY 57 CO -0.02 0.66 0.07 0.84 0.00 0.00 0.00 176.54 178.09 2hhb h HIS 58 N 0.42 1.13 -0.86 5.60 -0.00 -0.91 -2.22 115.15 118.31 2hhb h HIS 58 Ca 0.05 -0.17 0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2hhb h HIS 58 Cb 0.80 -0.31 -0.06 0.00 -0.00 0.00 0.00 27.41 27.85 2hhb h HIS 58 CO 0.07 0.97 0.54 0.78 -0.00 0.00 0.00 177.93 180.29 2hhb h GLY 59 N 1.03 1.29 1.18 5.26 0.00 -0.53 -1.07 103.07 110.24 2hhb h GLY 59 Ca 0.19 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2hhb h GLY 59 CO 0.02 0.29 -0.05 1.70 0.00 0.00 0.00 176.54 178.49 2hhb h LYS 60 N 1.01 0.97 -0.75 4.80 3.64 -1.08 0.04 116.57 125.20 2hhb h LYS 60 Ca 0.37 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2hhb h LYS 60 Cb 0.13 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2hhb h LYS 60 CO -0.16 0.99 0.23 0.87 -2.27 0.00 0.00 179.45 179.11 2hhb h LYS 61 N 0.88 1.16 -0.37 1.90 1.57 -0.73 -1.10 116.57 119.87 2hhb h LYS 61 Ca 0.15 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2hhb h LYS 61 Cb 0.59 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2hhb h LYS 61 CO 0.04 0.98 0.17 0.28 -0.57 0.00 0.00 179.45 180.35 2hhb h VAL 62 N 1.11 1.17 -0.71 0.50 2.07 -0.92 -1.21 116.25 118.25 2hhb h VAL 62 Ca 0.24 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2hhb h VAL 62 Cb 0.31 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2hhb h VAL 62 CO -0.01 0.18 0.27 0.00 0.02 0.00 0.00 177.57 178.04 2hhb h ALA 63 N 1.02 0.93 -0.19 1.67 0.00 -0.89 -1.93 119.26 119.86 2hhb h ALA 63 Ca 0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2hhb h ALA 63 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2hhb h ALA 63 CO -0.01 0.56 -0.55 -0.44 0.00 0.00 0.00 179.25 178.81 2hhb h ASP 64 N 1.03 0.64 -0.55 0.00 3.32 -0.96 -0.23 116.42 119.67 2hhb h ASP 64 Ca 0.24 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2hhb h ASP 64 Cb 0.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2hhb h ASP 64 CO -0.02 1.05 0.35 0.00 -1.72 0.00 0.00 179.24 178.91 2hhb h ALA 65 N 0.96 1.58 -0.38 3.45 0.00 -0.81 -0.57 119.26 123.49 2hhb h ALA 65 Ca 0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2hhb h ALA 65 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2hhb h ALA 65 CO 0.10 0.38 -0.39 -0.07 0.00 0.00 0.00 179.25 179.28 2hhb h LEU 66 N 0.76 1.00 -0.56 0.00 3.38 -0.69 0.19 115.31 119.38 2hhb h LEU 66 Ca 0.20 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2hhb h LEU 66 Cb -0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 2hhb h LEU 66 CO -0.04 1.26 0.34 0.74 0.09 0.00 0.00 178.44 180.83 2hhb h THR 67 N 0.75 1.05 -0.80 0.22 2.02 -0.78 0.22 112.91 115.59 2hhb h THR 67 Ca 0.06 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 2hhb h THR 67 Cb 0.98 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 2hhb h THR 67 CO 0.10 0.12 0.33 -1.13 0.37 0.00 0.00 175.52 175.31 2hhb h ASN 68 N 0.67 1.10 -0.70 4.18 -1.24 -0.72 -2.09 115.58 116.78 2hhb h ASN 68 Ca 0.23 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 2hhb h ASN 68 Cb 0.04 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 2hhb h ASN 68 CO -0.11 0.96 0.18 0.00 -1.29 0.00 0.00 177.43 177.18 2hhb h ALA 69 N 1.18 0.98 -0.43 1.57 0.00 0.39 -2.53 119.26 120.42 2hhb h ALA 69 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2hhb h ALA 69 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2hhb h ALA 69 CO -0.02 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.36 2hhb h VAL 70 N 1.07 1.19 -0.02 0.00 2.07 -0.31 -1.88 116.25 118.36 2hhb h VAL 70 Ca 0.22 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2hhb h VAL 70 Cb 0.36 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2hhb h VAL 70 CO 0.00 0.21 0.03 0.00 0.02 0.00 0.00 177.57 177.83 2hhb h ALA 71 N 1.04 1.53 -0.39 1.67 0.00 -1.21 -2.82 119.26 119.08 2hhb h ALA 71 Ca 0.15 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2hhb h ALA 71 Cb 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.68 2hhb h ALA 71 CO -0.02 -0.04 -0.75 0.72 0.00 0.00 0.00 179.25 179.16 2hhb n HIS 72 N -3.79 1.40 0.29 0.00 -0.00 -0.97 -4.83 115.22 107.32 2hhb n HIS 72 Ca -0.02 -1.82 0.17 0.00 -0.00 0.00 0.00 57.72 56.05 2hhb n HIS 72 Cb 0.11 -0.28 0.85 0.00 -0.00 0.00 0.00 29.99 30.67 2hhb n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2hhb h VAL 73 N 2.48 0.00 -0.01 1.59 3.04 -1.08 0.10 116.25 122.37 2hhb h VAL 73 Ca 0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2hhb h VAL 73 Cb 1.35 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 2hhb h VAL 73 CO 0.38 0.00 -0.08 0.47 -1.01 0.00 0.00 177.57 177.32 2hhb n ASP 74 N -2.77 0.98 -2.69 3.17 8.00 -1.26 -4.16 116.55 117.82 2hhb n ASP 74 Ca -0.01 -1.10 -0.07 0.00 0.71 0.00 0.00 54.79 54.32 2hhb n ASP 74 Cb 0.14 0.02 0.08 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.41 -0.48 -0.19 -2.24 2.03 0.30 -4.99 116.55 110.57 2hhb n ASP 75 Ca 0.17 -2.51 -0.08 0.00 0.52 0.00 0.00 54.79 52.88 2hhb n ASP 75 Cb 0.31 0.36 0.02 0.00 -0.72 0.00 0.00 41.12 41.08 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 2.33 0.87 -0.96 -0.67 2.86 -1.57 -2.80 114.93 114.98 2hhb h MET 76 Ca -0.22 -0.20 0.17 0.00 -2.06 0.00 0.00 59.70 57.39 2hhb h MET 76 Cb 1.25 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.71 2hhb h MET 76 CO 0.14 0.81 0.61 -1.35 1.06 0.00 0.00 176.91 178.18 2hhb h PRO 77 N 0.77 0.70 0.19 -0.22 0.11 -1.94 -0.80 132.00 130.81 2hhb h PRO 77 Ca 0.17 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.96 2hhb h PRO 77 Cb 0.32 -0.16 0.02 0.00 0.11 0.00 0.00 31.00 31.29 2hhb h PRO 77 CO -0.00 0.46 -1.27 -0.97 -0.21 0.00 0.00 178.00 176.01 2hhb h ASN 78 N 0.72 0.64 -0.54 -2.05 -1.24 -1.96 -2.53 115.58 108.62 2hhb h ASN 78 Ca 0.52 -0.93 0.03 0.00 0.71 0.00 0.00 56.30 56.63 2hhb h ASN 78 Cb 0.84 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.65 2hhb h ASN 78 CO -0.28 1.60 0.36 0.00 -1.29 0.00 0.00 177.43 177.82 2hhb h ALA 79 N 0.10 1.74 -0.62 1.57 0.00 -1.15 -2.55 119.26 118.34 2hhb h ALA 79 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hhb h ALA 79 Cb 1.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2hhb h ALA 79 CO 0.20 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2hhb n LEU 80 N -4.47 3.89 -0.15 0.00 4.77 -0.35 -4.69 117.00 116.00 2hhb n LEU 80 Ca 0.06 -2.11 -0.03 0.00 -0.03 0.00 0.00 56.01 53.90 2hhb n LEU 80 Cb 0.15 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.83 2hhb n LEU 80 CO 0.35 0.89 0.82 -1.28 -1.33 0.00 0.00 177.39 176.84 2hhb h SER 81 N 3.69 -0.27 0.39 -1.43 0.87 -1.00 0.11 113.55 115.90 2hhb h SER 81 Ca 0.00 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 2hhb h SER 81 Cb 1.04 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2hhb h SER 81 CO 0.05 -0.09 -0.45 0.00 -0.53 0.00 0.00 176.83 175.80 2hhb h ALA 82 N 1.44 1.18 -0.07 6.23 0.00 -1.84 -0.53 119.26 125.67 2hhb h ALA 82 Ca 0.24 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 2hhb h ALA 82 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hhb h ALA 82 CO -0.42 0.59 -0.74 -0.07 0.00 0.00 0.00 179.25 178.60 2hhb h LEU 83 N 0.07 0.47 -0.84 0.00 3.38 -1.58 -0.87 115.31 115.94 2hhb h LEU 83 Ca 0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2hhb h LEU 83 Cb 0.83 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2hhb h LEU 83 CO 0.06 1.06 0.15 0.28 0.09 0.00 0.00 178.44 180.09 2hhb h SER 84 N 0.27 0.96 -0.89 -0.43 0.02 -0.40 -0.88 113.55 112.19 2hhb h SER 84 Ca -0.03 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2hhb h SER 84 Cb 1.32 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2hhb h SER 84 CO 0.13 0.93 0.56 0.44 -1.14 0.00 0.00 176.83 177.74 2hhb h ASP 85 N 0.97 1.06 -0.20 3.07 3.32 -0.95 -1.53 116.42 122.17 2hhb h ASP 85 Ca 0.20 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2hhb h ASP 85 Cb 0.35 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2hhb h ASP 85 CO 0.00 0.80 -0.01 0.25 -1.72 0.00 0.00 179.24 178.56 2hhb h LEU 86 N 1.23 0.36 -0.37 1.55 5.85 -0.78 -1.08 115.31 122.07 2hhb h LEU 86 Ca 0.32 -0.33 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 2hhb h LEU 86 Cb -0.08 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2hhb h LEU 86 CO -0.06 0.60 -0.76 0.45 -0.34 0.00 0.00 178.44 178.33 2hhb h HIS 87 N 0.11 0.55 -0.39 1.25 3.86 -1.14 -1.53 115.15 117.87 2hhb h HIS 87 Ca 0.06 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.93 2hhb h HIS 87 Cb 0.42 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2hhb h HIS 87 CO 0.04 1.01 -0.08 0.00 0.86 0.00 0.00 177.93 179.77 2hhb h ALA 88 N 0.92 0.53 0.00 2.45 0.00 -1.15 0.36 119.26 122.36 2hhb h ALA 88 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2hhb h ALA 88 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2hhb h ALA 88 CO 0.13 0.38 -1.50 0.72 0.00 0.00 0.00 179.25 178.98 2hhb n HIS 89 N -4.37 0.00 0.04 0.00 8.25 -0.42 -4.56 115.22 114.16 2hhb n HIS 89 Ca -0.01 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2hhb n HIS 89 Cb 0.34 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 2hhb n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2hhb n LYS 90 N -1.90 0.00 -0.12 -0.41 4.81 -0.70 -4.85 118.16 115.00 2hhb n LYS 90 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.31 2hhb n LYS 90 Cb 0.36 -0.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.99 2hhb n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2hhb h LEU 91 N -0.00 0.63 -1.47 3.14 3.38 -1.42 -3.48 115.31 116.10 2hhb h LEU 91 Ca 0.00 -0.35 -0.39 0.00 0.09 0.00 0.00 57.88 57.23 2hhb h LEU 91 Cb 0.00 -0.17 0.09 0.00 0.09 0.00 0.00 40.66 40.67 2hhb h LEU 91 CO 0.00 0.83 -0.78 0.54 0.09 0.00 0.00 178.44 179.13 2hhb n ARG 92 N -4.46 -6.09 -2.35 1.13 1.74 0.13 -4.94 116.66 101.83 2hhb n ARG 92 Ca -0.02 0.73 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 2hhb n ARG 92 Cb 0.32 -5.57 -0.03 0.00 -1.02 0.00 0.00 32.46 26.15 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 3.84 0.29 1.55 1.01 -1.25 -4.97 120.40 117.41 2hhb s VAL 93 Ca 0.19 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 2hhb s VAL 93 Cb -0.09 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 2hhb s VAL 93 CO 0.77 0.09 1.56 -0.62 0.00 0.00 0.00 175.10 176.91 2hhb s ASP 94 N 1.13 6.42 0.57 3.32 2.15 -1.26 -4.84 116.67 124.16 2hhb s ASP 94 Ca 0.60 2.90 0.28 0.00 0.43 0.00 0.00 52.55 56.77 2hhb s ASP 94 Cb -0.31 -2.63 1.49 0.00 -0.30 0.00 0.00 42.92 41.16 2hhb s ASP 94 CO 0.29 -0.87 1.96 -0.65 -0.17 0.00 0.00 175.17 175.73 2hhb h PRO 95 N 4.80 0.00 -0.17 4.34 0.11 -2.00 -1.11 132.00 137.97 2hhb h PRO 95 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2hhb h PRO 95 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2hhb h PRO 95 CO 0.78 0.00 0.13 -0.39 -0.21 0.00 0.00 178.00 178.31 2hhb h VAL 96 N 0.00 0.85 0.00 3.15 -1.51 -2.04 -2.40 116.25 114.30 2hhb h VAL 96 Ca 0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.69 2hhb h VAL 96 Cb 1.07 0.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2hhb h VAL 96 CO -0.00 0.00 -0.04 0.78 -1.23 0.00 0.00 177.57 177.08 2hhb h ASN 97 N 0.00 0.00 -0.41 4.19 2.35 -1.55 -2.67 115.58 117.48 2hhb h ASN 97 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2hhb h ASN 97 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2hhb h ASN 97 CO -0.00 0.04 0.11 -0.26 -1.65 0.00 0.00 177.43 175.67 2hhb h PHE 98 N 0.00 0.74 0.00 1.19 0.04 -1.60 -1.45 116.94 115.86 2hhb h PHE 98 Ca -0.00 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 2hhb h PHE 98 Cb 0.67 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2hhb h PHE 98 CO 0.00 0.63 -0.44 1.57 -0.60 0.00 0.00 178.31 179.47 2hhb h LYS 99 N 0.70 0.00 -0.04 1.51 2.10 -1.64 -0.87 116.57 118.34 2hhb h LYS 99 Ca 0.16 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.65 2hhb h LYS 99 Cb 0.27 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2hhb h LYS 99 CO -0.00 0.44 -0.58 -0.07 -2.00 0.00 0.00 179.45 177.25 2hhb h LEU 100 N 0.00 0.58 -0.77 7.07 3.38 -1.35 -1.56 115.31 122.66 2hhb h LEU 100 Ca -0.00 -0.71 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 2hhb h LEU 100 Cb 0.79 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2hhb h LEU 100 CO 0.06 1.20 -0.11 0.25 0.09 0.00 0.00 178.44 179.93 2hhb h LEU 101 N -0.00 0.81 -0.55 1.67 5.85 -1.15 -2.30 115.31 119.64 2hhb h LEU 101 Ca -0.06 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2hhb h LEU 101 Cb 1.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2hhb h LEU 101 CO 0.12 0.94 0.23 0.28 -0.34 0.00 0.00 178.44 179.66 2hhb h SER 102 N 0.74 0.76 -0.75 1.25 0.02 -1.05 0.14 113.55 114.66 2hhb h SER 102 Ca 0.12 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2hhb h SER 102 Cb 0.61 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2hhb h SER 102 CO 0.04 0.72 0.49 -0.74 -1.14 0.00 0.00 176.83 176.20 2hhb h HIS 103 N 0.75 0.93 -0.20 3.45 -0.00 -1.12 -1.20 115.15 117.77 2hhb h HIS 103 Ca 0.18 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.48 2hhb h HIS 103 Cb 0.19 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2hhb h HIS 103 CO 0.01 0.58 -0.28 0.00 -0.00 0.00 0.00 177.93 178.24 2hhb h LEU 105 N 0.34 0.64 -0.46 0.00 5.85 -0.44 -1.76 115.31 119.49 2hhb h LEU 105 Ca 0.05 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2hhb h LEU 105 Cb 0.67 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2hhb h LEU 105 CO 0.05 0.76 0.27 -0.07 -0.34 0.00 0.00 178.44 179.11 2hhb h LEU 106 N 0.51 0.43 -0.70 2.25 4.07 -0.39 -0.38 115.31 121.10 2hhb h LEU 106 Ca 0.12 0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.17 2hhb h LEU 106 Cb 0.40 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 2hhb h LEU 106 CO 0.01 0.31 0.35 0.58 -1.08 0.00 0.00 178.44 178.61 2hhb h VAL 107 N 0.54 0.86 -0.42 1.22 2.07 -1.07 0.01 116.25 119.45 2hhb h VAL 107 Ca 0.18 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2hhb h VAL 107 Cb 0.02 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2hhb h VAL 107 CO -0.09 0.11 0.07 0.74 0.02 0.00 0.00 177.57 178.43 2hhb h THR 108 N 0.61 1.24 -0.50 2.57 2.02 -0.78 -0.64 112.91 117.43 2hhb h THR 108 Ca 0.34 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2hhb h THR 108 Cb 0.34 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2hhb h THR 108 CO -0.26 0.31 0.02 -0.07 0.37 0.00 0.00 175.52 175.89 2hhb h LEU 109 N 0.56 0.85 -0.90 2.58 3.38 -0.67 -2.45 115.31 118.66 2hhb h LEU 109 Ca 0.13 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.90 2hhb h LEU 109 Cb 0.37 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2hhb h LEU 109 CO 0.01 0.94 0.54 0.00 0.09 0.00 0.00 178.44 180.02 2hhb h ALA 110 N 0.94 1.30 0.00 1.53 0.00 -0.60 0.16 119.26 122.60 2hhb h ALA 110 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hhb h ALA 110 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hhb h ALA 110 CO 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 2hhb h ALA 111 N 1.47 0.99 0.00 0.00 0.00 -0.74 -3.29 119.26 117.70 2hhb h ALA 111 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2hhb h ALA 111 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2hhb h ALA 111 CO -0.24 0.07 -0.95 0.72 0.00 0.00 0.00 179.25 178.85 2hhb n HIS 112 N -3.14 0.00 -3.28 0.00 -0.00 -0.87 -4.76 115.22 103.17 2hhb n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.47 2hhb n HIS 112 Cb 0.41 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.23 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 -1.53 3.98 -0.20 2.41 4.77 0.51 -4.92 117.00 122.02 2hhb n LEU 113 Ca -0.00 -5.52 0.00 0.00 -0.03 0.00 0.00 56.01 50.46 2hhb n LEU 113 Cb 0.16 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 40.72 2hhb n LEU 113 CO 0.15 2.15 0.94 1.55 -1.33 0.00 0.00 177.39 180.86 2hhb h PRO 114 N 3.82 0.30 0.00 3.23 0.13 -1.83 -2.18 132.00 135.47 2hhb h PRO 114 Ca 0.18 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 2hhb h PRO 114 Cb 0.61 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2hhb h PRO 114 CO 0.83 0.20 -0.68 0.00 -0.23 0.00 0.00 178.00 178.12 2hhb h ALA 115 N 1.45 0.71 0.00 -0.56 0.00 -1.93 -3.34 119.26 115.59 2hhb h ALA 115 Ca 0.31 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2hhb h ALA 115 Cb 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2hhb h ALA 115 CO -0.36 0.45 -1.23 0.93 0.00 0.00 0.00 179.25 179.04 2hhb h GLU 116 N 0.00 0.00 -3.02 0.00 4.39 -1.82 -3.40 114.58 110.73 2hhb h GLU 116 Ca -0.04 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.00 2hhb h GLU 116 Cb 1.28 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.96 2hhb h GLU 116 CO 0.04 0.24 3.81 0.34 -1.16 0.00 0.00 179.01 182.28 2hhb n PHE 117 N -2.88 2.37 -1.35 4.33 7.35 -0.88 -4.75 117.46 121.65 2hhb n PHE 117 Ca -0.06 -3.05 -0.31 0.00 -0.76 0.00 0.00 57.45 53.26 2hhb n PHE 117 Cb 0.77 -2.47 0.08 0.00 0.35 0.00 0.00 39.48 38.21 2hhb n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2hhb s THR 118 N 2.22 3.52 0.24 -2.13 2.01 -1.26 -4.76 115.64 115.47 2hhb s THR 118 Ca 0.69 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 63.12 2hhb s THR 118 Cb 0.18 -3.06 0.22 0.00 0.01 0.00 0.00 72.50 69.85 2hhb s THR 118 CO -0.06 -0.64 1.68 -0.65 -0.69 0.00 0.00 174.62 174.26 2hhb h PRO 119 N -0.99 0.23 -0.27 4.92 0.11 -1.99 0.79 132.00 134.80 2hhb h PRO 119 Ca -0.44 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 2hhb h PRO 119 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2hhb h PRO 119 CO 0.53 0.15 -0.28 0.00 -0.21 0.00 0.00 178.00 178.19 2hhb h ALA 120 N 1.59 1.00 -0.28 -0.75 0.00 -1.96 -1.38 119.26 117.49 2hhb h ALA 120 Ca 0.39 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2hhb h ALA 120 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2hhb h ALA 120 CO -0.51 0.59 -0.57 0.28 0.00 0.00 0.00 179.25 179.05 2hhb h VAL 121 N 0.48 1.27 -0.75 0.00 2.07 -1.75 -2.18 116.25 115.39 2hhb h VAL 121 Ca 0.06 -1.75 0.06 0.00 0.82 0.00 0.00 66.70 65.89 2hhb h VAL 121 Cb 0.73 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 2hhb h VAL 121 CO 0.06 0.57 0.44 -0.74 0.02 0.00 0.00 177.57 177.92 2hhb h HIS 122 N 0.66 0.82 -0.41 1.57 6.17 -0.61 0.58 115.15 123.92 2hhb h HIS 122 Ca 0.01 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.03 2hhb h HIS 122 Cb 1.18 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.84 2hhb h HIS 122 CO 0.07 0.41 -0.06 0.00 0.71 0.00 0.00 177.93 179.06 2hhb h ALA 123 N 1.37 0.56 -0.43 5.26 0.00 -1.08 -1.77 119.26 123.16 2hhb h ALA 123 Ca 0.33 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2hhb h ALA 123 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2hhb h ALA 123 CO -0.17 0.40 -0.13 0.77 0.00 0.00 0.00 179.25 180.12 2hhb h SER 124 N 0.59 0.85 -0.80 0.00 0.02 -0.99 -1.74 113.55 111.48 2hhb h SER 124 Ca 0.11 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2hhb h SER 124 Cb 0.57 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 2hhb h SER 124 CO 0.03 1.03 0.42 -0.07 -1.14 0.00 0.00 176.83 177.10 2hhb h LEU 125 N 0.67 1.03 -0.74 5.07 3.38 -0.68 0.09 115.31 124.14 2hhb h LEU 125 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2hhb h LEU 125 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hhb h LEU 125 CO 0.05 0.85 -0.18 -0.78 0.09 0.00 0.00 178.44 178.47 2hhb h ASP 126 N 1.14 0.78 -0.42 -0.43 3.58 -1.06 0.13 116.42 120.15 2hhb h ASP 126 Ca 0.28 -0.26 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2hhb h ASP 126 Cb 0.07 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2hhb h ASP 126 CO -0.04 0.95 -0.33 0.11 -2.88 0.00 0.00 179.24 177.05 2hhb h LYS 127 N 0.69 0.96 -0.34 0.28 1.57 -1.02 -1.88 116.57 116.82 2hhb h LYS 127 Ca 0.10 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 2hhb h LYS 127 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2hhb h LYS 127 CO 0.05 1.14 0.09 0.35 -0.57 0.00 0.00 179.45 180.51 2hhb h PHE 128 N 0.79 0.56 -0.39 -1.35 3.57 -0.42 -0.36 116.94 119.36 2hhb h PHE 128 Ca 0.08 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2hhb h PHE 128 Cb 0.92 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2hhb h PHE 128 CO 0.06 0.57 0.05 -0.07 -2.23 0.00 0.00 178.31 176.69 2hhb h LEU 129 N 0.39 0.55 -0.67 0.59 3.38 -0.67 -0.25 115.31 118.62 2hhb h LEU 129 Ca 0.11 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2hhb h LEU 129 Cb 0.29 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2hhb h LEU 129 CO 0.00 0.58 0.30 0.00 0.09 0.00 0.00 178.44 179.41 2hhb h ALA 130 N 1.49 0.87 -0.51 1.53 0.00 -1.17 0.25 119.26 121.72 2hhb h ALA 130 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2hhb h ALA 130 Cb 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2hhb h ALA 130 CO 0.00 0.46 0.10 0.77 0.00 0.00 0.00 179.25 180.59 2hhb h SER 131 N 0.94 0.79 -0.51 0.00 0.02 -0.52 0.24 113.55 114.51 2hhb h SER 131 Ca 0.23 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2hhb h SER 131 Cb 0.16 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2hhb h SER 131 CO -0.02 0.84 0.28 0.58 -1.14 0.00 0.00 176.83 177.36 2hhb h VAL 132 N 0.71 1.01 -0.49 2.27 2.07 -0.87 -1.70 116.25 119.25 2hhb h VAL 132 Ca 0.16 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2hhb h VAL 132 Cb 0.37 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2hhb h VAL 132 CO 0.01 0.10 0.20 0.28 0.02 0.00 0.00 177.57 178.18 2hhb h SER 133 N 0.55 0.24 -0.50 0.57 0.02 -0.82 0.43 113.55 114.05 2hhb h SER 133 Ca 0.21 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2hhb h SER 133 Cb 0.07 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2hhb h SER 133 CO -0.12 0.17 0.33 0.74 -1.14 0.00 0.00 176.83 176.81 2hhb h THR 134 N 0.40 1.12 -0.18 -2.27 2.02 -0.69 -2.28 112.91 111.03 2hhb h THR 134 Ca 0.23 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2hhb h THR 134 Cb 0.21 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2hhb h THR 134 CO -0.21 0.12 0.07 0.58 0.37 0.00 0.00 175.52 176.45 2hhb h VAL 135 N 0.67 1.17 0.00 3.16 2.07 -0.83 -1.59 116.25 120.90 2hhb h VAL 135 Ca 0.19 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2hhb h VAL 135 Cb -0.06 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2hhb h VAL 135 CO -0.05 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 2hhb h LEU 136 N 0.13 0.00 -1.85 2.57 3.38 -0.66 -1.89 115.31 116.99 2hhb h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hhb h LEU 136 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2hhb h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2hhb n THR 137 N -2.56 0.29 -0.22 0.22 -2.24 -0.88 -4.56 114.28 104.33 2hhb n THR 137 Ca -0.00 -0.65 0.29 0.00 -2.27 0.00 0.00 64.05 61.41 2hhb n THR 137 Cb 0.14 1.01 0.70 0.00 -2.10 0.00 0.00 70.33 70.08 2hhb n THR 137 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2hhb h SER 138 N 2.09 0.07 -0.22 3.42 0.02 -0.44 -2.96 113.55 115.54 2hhb h SER 138 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2hhb h SER 138 Cb 0.53 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2hhb h SER 138 CO 0.00 0.02 0.00 0.29 -1.14 0.00 0.00 176.83 176.00 2hhb n LYS 139 N -4.30 2.67 0.06 3.45 5.02 -1.26 -4.64 118.16 119.15 2hhb n LYS 139 Ca 0.20 -2.44 -0.01 0.00 -2.02 0.00 0.00 58.31 54.04 2hhb n LYS 139 Cb 0.98 -1.54 0.27 0.00 -0.02 0.00 0.00 35.03 34.72 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 1.40 0.40 0.00 2.13 0.99 -1.84 -3.47 116.97 116.58 2hhb h TYR 140 Ca 0.00 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2hhb h TYR 140 Cb 1.08 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.71 2hhb h TYR 140 CO 0.29 0.57 0.00 2.89 -0.00 0.00 0.00 178.16 181.92