#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hmq s PHE 2 N 0.00 3.12 0.74 1.61 0.08 -1.26 -5.10 117.98 117.17 2hmq s PHE 2 Ca 0.00 0.02 -0.15 0.00 0.12 0.00 0.00 56.93 56.92 2hmq s PHE 2 Cb 0.00 -1.56 0.05 0.00 -0.57 0.00 0.00 43.02 40.94 2hmq s PHE 2 CO 0.00 0.51 1.20 -1.25 -0.10 0.00 0.00 175.22 175.59 2hmq s PRO 3 N -2.63 2.05 -0.27 0.24 0.04 -1.26 -4.98 135.00 128.19 2hmq s PRO 3 Ca 0.29 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2hmq s PRO 3 Cb -0.11 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2hmq s PRO 3 CO 0.22 -1.90 0.18 0.42 0.04 0.00 0.00 177.00 175.96 2hmq s ILE 4 N -2.04 5.30 0.44 0.56 -1.09 -1.26 -5.02 121.20 118.10 2hmq s ILE 4 Ca 0.74 0.17 -0.25 0.00 -2.23 0.00 0.00 60.65 59.08 2hmq s ILE 4 Cb -0.29 -3.52 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 2hmq s ILE 4 CO 0.46 0.26 1.30 -2.16 -1.23 0.00 0.00 174.94 173.57 2hmq s PRO 5 N 1.67 3.76 -0.14 2.79 0.04 -1.26 -5.02 135.00 136.84 2hmq s PRO 5 Ca 0.07 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.22 2hmq s PRO 5 Cb -0.16 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2hmq s PRO 5 CO 0.10 -0.65 -0.02 0.34 0.04 0.00 0.00 177.00 176.81 2hmq s ASP 6 N -0.87 2.44 0.56 6.66 2.15 -1.26 -3.32 116.67 123.04 2hmq s ASP 6 Ca 0.61 -0.51 -0.19 0.00 0.43 0.00 0.00 52.55 52.89 2hmq s ASP 6 Cb -0.37 -0.69 -0.05 0.00 -0.30 0.00 0.00 42.92 41.51 2hmq s ASP 6 CO 0.47 -0.21 1.15 -2.16 -0.17 0.00 0.00 175.17 174.25 2hmq s PRO 7 N 1.80 3.23 -1.13 4.34 0.04 -1.26 -5.03 135.00 136.99 2hmq s PRO 7 Ca 0.02 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.51 2hmq s PRO 7 Cb -0.15 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2hmq s PRO 7 CO -0.07 -0.97 1.82 -0.47 0.04 0.00 0.00 177.00 177.35 2hmq s TYR 8 N -1.72 2.22 -0.00 0.56 6.14 -1.21 -4.84 117.35 118.49 2hmq s TYR 8 Ca 0.74 -0.22 -0.04 0.00 0.64 0.00 0.00 57.07 58.19 2hmq s TYR 8 Cb -0.26 -4.30 -0.00 0.00 0.42 0.00 0.00 41.96 37.82 2hmq s TYR 8 CO 0.29 -1.58 0.09 0.00 0.64 0.00 0.00 175.55 174.99 2hmq n TRP 10 N 1.93 0.01 -4.18 0.00 -0.00 -1.26 -4.84 117.44 109.10 2hmq n TRP 10 Ca -0.20 0.42 -0.12 0.00 -0.00 0.00 0.00 57.50 57.59 2hmq n TRP 10 Cb 0.56 -2.03 -0.09 0.00 -0.00 0.00 0.00 31.31 29.75 2hmq n TRP 10 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 177.69 177.85 2hmq s ASP 11 N -1.30 0.29 0.00 5.87 1.47 -1.26 -5.04 116.67 116.70 2hmq s ASP 11 Ca 0.72 -1.37 0.14 0.00 1.18 0.00 0.00 52.55 53.21 2hmq s ASP 11 Cb -0.41 0.43 0.63 0.00 -0.34 0.00 0.00 42.92 43.24 2hmq s ASP 11 CO 0.51 -0.91 1.40 2.30 0.68 0.00 0.00 175.17 179.15 2hmq n ILE 12 N -0.33 0.87 0.33 2.11 -5.35 -1.26 -1.65 119.36 114.08 2hmq n ILE 12 Ca 0.02 0.22 0.14 0.00 -0.27 0.00 0.00 62.75 62.86 2hmq n ILE 12 Cb 0.65 -0.99 0.61 0.00 -1.74 0.00 0.00 39.64 38.17 2hmq n ILE 12 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2hmq h SER 13 N 0.00 0.00 0.09 7.28 4.64 -2.01 -1.62 113.55 121.92 2hmq h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hmq h SER 13 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2hmq h SER 13 CO 0.00 0.00 -0.32 0.49 -0.87 0.00 0.00 176.83 176.13 2hmq n PHE 14 N -2.52 0.00 -1.62 4.77 3.01 -0.66 -4.97 117.46 115.48 2hmq n PHE 14 Ca 0.01 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.98 2hmq n PHE 14 Cb 0.21 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 2hmq n PHE 14 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2hmq n ARG 15 N -0.19 1.50 -0.00 -1.08 1.74 -0.61 -4.86 116.66 113.15 2hmq n ARG 15 Ca 0.12 0.54 0.09 0.00 -0.77 0.00 0.00 57.85 57.82 2hmq n ARG 15 Cb 0.42 -2.17 -0.13 0.00 -1.02 0.00 0.00 32.46 29.56 2hmq n ARG 15 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2hmq n THR 16 N 2.38 0.00 -0.99 0.55 -2.24 -1.26 -4.98 114.28 107.73 2hmq n THR 16 Ca 0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2hmq n THR 16 Cb 0.24 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2hmq n THR 16 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2hmq n PHE 17 N -1.81 0.00 -3.43 4.78 3.72 -1.26 -4.94 117.46 114.52 2hmq n PHE 17 Ca -0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 2hmq n PHE 17 Cb 0.39 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 38.53 2hmq n PHE 17 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2hmq s TYR 18 N -2.00 3.44 0.32 1.38 2.02 -1.26 -4.99 117.35 116.25 2hmq s TYR 18 Ca 0.00 -1.75 0.02 0.00 -0.37 0.00 0.00 57.07 54.97 2hmq s TYR 18 Cb 0.00 -3.66 0.59 0.00 -0.40 0.00 0.00 41.96 38.49 2hmq s TYR 18 CO 0.00 -0.99 1.93 1.79 -1.57 0.00 0.00 175.55 176.70 2hmq h THR 19 N 5.67 1.05 -0.46 -0.71 1.35 -1.95 -0.18 112.91 117.69 2hmq h THR 19 Ca -0.16 -0.33 0.03 0.00 -0.55 0.00 0.00 66.41 65.40 2hmq h THR 19 Cb 1.07 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2hmq h THR 19 CO 0.89 0.17 0.26 -0.29 -0.25 0.00 0.00 175.52 176.30 2hmq h ILE 20 N 0.95 1.02 0.00 6.82 6.09 -1.95 0.19 117.51 130.62 2hmq h ILE 20 Ca 0.37 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.68 2hmq h ILE 20 Cb 0.21 0.46 0.00 0.00 0.47 0.00 0.00 36.82 37.96 2hmq h ILE 20 CO -0.13 0.09 0.00 -0.38 -3.07 0.00 0.00 178.15 174.66 2hmq n ILE 21 N -4.86 0.00 0.00 2.19 2.08 -0.81 -1.00 119.36 116.97 2hmq n ILE 21 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 2hmq n ILE 21 Cb 0.09 -0.89 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 2hmq n ILE 21 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2hmq n VAL 21 N -1.00 0.00 0.01 1.39 0.31 -0.81 -0.70 118.33 117.53 2hmq n VAL 21 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.27 2hmq n VAL 21 Cb 0.02 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.90 2hmq n VAL 21 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2hmq h ASP 22 N 0.00 0.05 -0.61 4.52 3.32 -0.74 0.48 116.42 123.44 2hmq h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2hmq h ASP 22 Cb 0.00 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2hmq h ASP 22 CO 0.00 0.04 0.39 0.44 -1.72 0.00 0.00 179.24 178.39 2hmq h ASP 23 N 0.08 0.71 -0.70 6.45 3.45 -0.80 -2.24 116.42 123.37 2hmq h ASP 23 Ca 0.03 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.48 2hmq h ASP 23 Cb 0.01 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 2hmq h ASP 23 CO -0.03 0.54 0.45 -0.33 -1.57 0.00 0.00 179.24 178.30 2hmq h GLU 24 N 0.82 0.87 -0.89 3.56 5.08 -0.69 -2.96 114.58 120.38 2hmq h GLU 24 Ca 0.22 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 2hmq h GLU 24 Cb -0.06 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 28.93 2hmq h GLU 24 CO -0.04 0.58 0.58 0.45 -1.00 0.00 0.00 179.01 179.58 2hmq h HIS 25 N 0.90 1.04 -0.73 4.33 3.86 0.14 -1.61 115.15 123.07 2hmq h HIS 25 Ca 0.27 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2hmq h HIS 25 Cb -0.04 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 28.04 2hmq h HIS 25 CO -0.03 0.55 0.48 0.87 0.86 0.00 0.00 177.93 180.66 2hmq h LYS 26 N 1.03 0.57 0.00 2.45 1.57 -1.24 -1.20 116.57 119.75 2hmq h LYS 26 Ca 0.38 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 59.01 2hmq h LYS 26 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2hmq h LYS 26 CO -0.14 0.38 -0.56 1.79 -0.57 0.00 0.00 179.45 180.35 2hmq h THR 27 N 0.59 1.33 -0.09 -0.16 1.35 -1.30 -2.39 112.91 112.24 2hmq h THR 27 Ca 0.34 -1.97 -0.16 0.00 -0.55 0.00 0.00 66.41 64.07 2hmq h THR 27 Cb 0.53 2.08 0.01 0.00 -1.73 0.00 0.00 68.15 69.04 2hmq h THR 27 CO -0.12 0.55 -0.56 -0.07 -0.25 0.00 0.00 175.52 175.07 2hmq h LEU 28 N 0.00 0.64 -0.11 3.87 3.38 -1.13 -1.65 115.31 120.31 2hmq h LEU 28 Ca -0.01 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.35 2hmq h LEU 28 Cb 1.04 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2hmq h LEU 28 CO 0.07 1.20 -0.27 -0.26 0.09 0.00 0.00 178.44 179.28 2hmq h PHE 29 N 0.13 -0.73 -0.96 1.13 -1.00 -1.30 -1.82 116.94 112.38 2hmq h PHE 29 Ca -0.05 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.80 2hmq h PHE 29 Cb 1.21 0.34 -0.05 0.00 3.61 0.00 0.00 35.95 41.06 2hmq h PHE 29 CO 0.12 -0.35 0.63 -0.97 -1.61 0.00 0.00 178.31 176.12 2hmq h ASN 30 N -0.35 1.06 0.06 2.17 -1.24 -1.39 -0.11 115.58 115.78 2hmq h ASN 30 Ca 0.09 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.10 2hmq h ASN 30 Cb 0.49 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2hmq h ASN 30 CO -0.31 0.73 -0.08 1.23 -1.29 0.00 0.00 177.43 177.71 2hmq h GLY 31 N 1.23 -0.14 1.31 1.57 0.00 -0.92 -0.51 103.07 105.61 2hmq h GLY 31 Ca 0.38 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 2hmq h GLY 31 CO -0.11 -0.08 -0.13 -2.22 0.00 0.00 0.00 176.54 173.99 2hmq h ILE 32 N -0.16 1.26 -0.33 2.60 2.04 -1.06 -2.79 117.51 119.06 2hmq h ILE 32 Ca 0.01 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2hmq h ILE 32 Cb 0.17 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2hmq h ILE 32 CO -0.04 0.42 0.17 0.25 0.00 0.00 0.00 178.15 178.95 2hmq h LEU 33 N 0.73 0.26 -0.36 1.44 5.85 -0.37 -1.70 115.31 121.17 2hmq h LEU 33 Ca 0.12 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2hmq h LEU 33 Cb 0.63 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2hmq h LEU 33 CO 0.04 0.20 0.11 -0.07 -0.34 0.00 0.00 178.44 178.38 2hmq h LEU 34 N 0.36 0.10 -1.38 2.25 3.38 -0.86 -1.83 115.31 117.34 2hmq h LEU 34 Ca 0.13 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.21 2hmq h LEU 34 Cb 0.03 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2hmq h LEU 34 CO -0.08 0.09 0.47 -0.07 0.09 0.00 0.00 178.44 178.94 2hmq h LEU 35 N 0.25 0.67 -0.90 1.67 3.38 -1.26 -0.13 115.31 118.99 2hmq h LEU 35 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2hmq h LEU 35 Cb 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hmq h LEU 35 CO -0.18 0.44 0.00 0.77 0.09 0.00 0.00 178.44 179.56 2hmq h SER 36 N 0.77 0.00 0.00 -0.43 4.64 -0.47 -3.03 113.55 115.02 2hmq h SER 36 Ca 0.30 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.26 2hmq h SER 36 Cb 0.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 2hmq h SER 36 CO -0.10 0.00 -2.38 0.00 -0.87 0.00 0.00 176.83 173.48 2hmq n GLN 37 N -2.58 0.70 -3.46 4.77 6.02 -0.31 -4.92 117.38 117.60 2hmq n GLN 37 Ca 0.02 0.09 -0.04 0.00 -0.01 0.00 0.00 57.00 57.06 2hmq n GLN 37 Cb 0.28 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 2hmq n GLN 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hmq s ALA 38 N -2.49 -1.59 -1.10 -1.58 0.00 -0.22 -5.08 121.76 109.71 2hmq s ALA 38 Ca -0.25 1.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.16 2hmq s ALA 38 Cb 0.08 -1.71 0.14 0.00 0.00 0.00 0.00 23.12 21.63 2hmq s ALA 38 CO 0.65 -1.05 1.36 0.34 0.00 0.00 0.00 175.76 177.05 2hmq s ASP 39 N 2.71 6.85 0.39 0.00 3.68 -1.19 -3.94 116.67 125.19 2hmq s ASP 39 Ca 0.06 -2.49 0.04 0.00 2.13 0.00 0.00 52.55 52.29 2hmq s ASP 39 Cb -0.14 -2.43 -0.03 0.00 -1.45 0.00 0.00 42.92 38.88 2hmq s ASP 39 CO -0.17 -0.96 0.15 0.54 0.13 0.00 0.00 175.17 174.86 2hmq s ASN 40 N 3.41 2.60 0.17 -0.34 6.03 -1.26 -5.07 114.94 120.48 2hmq s ASN 40 Ca 0.40 -1.68 -0.08 0.00 -1.03 0.00 0.00 52.86 50.48 2hmq s ASN 40 Cb -0.03 0.51 0.04 0.00 -3.03 0.00 0.00 41.25 38.74 2hmq s ASN 40 CO -0.03 -0.95 1.50 0.00 -2.03 0.00 0.00 177.10 175.59 2hmq h ALA 41 N 1.85 0.65 -0.23 3.54 0.00 -1.98 -1.76 119.26 121.32 2hmq h ALA 41 Ca -0.34 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.13 2hmq h ALA 41 Cb 1.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2hmq h ALA 41 CO 0.54 0.67 0.07 -0.44 0.00 0.00 0.00 179.25 180.09 2hmq h ASP 42 N 0.64 0.06 -0.51 0.00 3.32 -1.98 -1.48 116.42 116.47 2hmq h ASP 42 Ca 0.04 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2hmq h ASP 42 Cb 0.99 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2hmq h ASP 42 CO 0.10 0.06 0.02 0.45 -1.72 0.00 0.00 179.24 178.15 2hmq h HIS 43 N 0.17 1.00 -0.01 4.55 3.86 -1.87 -2.20 115.15 120.65 2hmq h HIS 43 Ca 0.10 -0.15 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 2hmq h HIS 43 Cb 0.08 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2hmq h HIS 43 CO -0.14 0.89 -0.59 1.25 0.86 0.00 0.00 177.93 180.20 2hmq h LEU 44 N 0.86 0.03 -0.39 2.43 5.85 -1.13 -1.94 115.31 121.03 2hmq h LEU 44 Ca 0.16 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2hmq h LEU 44 Cb 0.48 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2hmq h LEU 44 CO 0.02 0.62 -0.10 0.78 -0.34 0.00 0.00 178.44 179.41 2hmq h ASN 45 N 0.02 0.76 0.34 1.25 -0.26 -1.08 -0.12 115.58 116.49 2hmq h ASN 45 Ca -0.01 -0.37 -0.02 0.00 -0.56 0.00 0.00 56.30 55.35 2hmq h ASN 45 Cb 1.05 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 2hmq h ASN 45 CO 0.08 0.95 -0.16 -0.08 -1.06 0.00 0.00 177.43 177.16 2hmq h GLU 46 N 0.56 -0.44 0.02 0.81 4.57 -1.34 -0.39 114.58 118.37 2hmq h GLU 46 Ca 0.10 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2hmq h GLU 46 Cb 0.63 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2hmq h GLU 46 CO 0.04 -0.27 -0.01 1.25 -1.18 0.00 0.00 179.01 178.84 2hmq h LEU 47 N -0.50 -0.02 -0.54 1.64 5.85 -1.24 -2.67 115.31 117.83 2hmq h LEU 47 Ca -0.05 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2hmq h LEU 47 Cb 0.38 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 2hmq h LEU 47 CO 0.08 0.04 0.20 -0.09 -0.34 0.00 0.00 178.44 178.33 2hmq h ARG 48 N -0.09 0.38 0.67 1.25 9.65 -0.94 -0.52 114.38 124.78 2hmq h ARG 48 Ca -0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2hmq h ARG 48 Cb 0.08 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2hmq h ARG 48 CO 0.00 0.25 -0.39 -0.09 2.80 0.00 0.00 179.97 182.55 2hmq h ARG 49 N 0.39 -0.95 -0.99 0.20 2.43 -1.05 -0.99 114.38 113.43 2hmq h ARG 49 Ca 0.26 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.67 2hmq h ARG 49 Cb 0.29 0.21 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 2hmq h ARG 49 CO -0.26 -0.63 0.62 0.00 -1.51 0.00 0.00 179.97 178.19 2hmq h THR 51 N 0.78 0.98 -0.65 0.00 2.02 -1.01 -0.16 112.91 114.87 2hmq h THR 51 Ca 0.54 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 67.09 2hmq h THR 51 Cb 0.82 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 2hmq h THR 51 CO -0.32 0.16 0.36 1.23 0.37 0.00 0.00 175.52 177.32 2hmq h GLY 52 N -0.54 0.96 0.76 2.16 0.00 -1.02 -1.19 103.07 104.20 2hmq h GLY 52 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2hmq h GLY 52 CO 0.03 0.16 0.00 1.70 0.00 0.00 0.00 176.54 178.43 2hmq h LYS 53 N 0.67 0.19 -0.35 4.80 3.64 -1.19 -2.26 116.57 122.08 2hmq h LYS 53 Ca 0.29 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2hmq h LYS 53 Cb 0.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2hmq h LYS 53 CO -0.18 0.43 0.21 1.25 -2.27 0.00 0.00 179.45 178.89 2hmq h HIS 54 N -0.08 0.46 -0.82 1.91 2.76 -0.82 -1.33 115.15 117.23 2hmq h HIS 54 Ca 0.03 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 2hmq h HIS 54 Cb 0.34 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 2hmq h HIS 54 CO 0.03 0.34 0.36 0.74 -1.30 0.00 0.00 177.93 178.10 2hmq h PHE 55 N 0.45 1.21 -0.21 5.26 0.04 -1.21 -0.68 116.94 121.79 2hmq h PHE 55 Ca 0.12 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 2hmq h PHE 55 Cb 0.02 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 2hmq h PHE 55 CO -0.04 0.90 -0.19 1.25 -0.60 0.00 0.00 178.31 179.63 2hmq h LEU 56 N 1.18 0.54 -0.35 1.54 5.85 -1.08 -1.45 115.31 121.53 2hmq h LEU 56 Ca 0.28 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2hmq h LEU 56 Cb 0.17 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2hmq h LEU 56 CO -0.03 0.89 0.17 0.78 -0.34 0.00 0.00 178.44 179.91 2hmq h ASN 57 N 0.19 0.24 -0.34 1.25 -0.26 -1.17 -1.13 115.58 114.36 2hmq h ASN 57 Ca 0.04 0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.72 2hmq h ASN 57 Cb 0.73 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 2hmq h ASN 57 CO 0.05 0.18 -0.03 -0.08 -1.06 0.00 0.00 177.43 176.49 2hmq h GLU 58 N 0.35 0.72 -0.81 0.81 4.81 -1.09 -1.66 114.58 117.70 2hmq h GLU 58 Ca 0.15 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2hmq h GLU 58 Cb 0.07 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2hmq h GLU 58 CO -0.11 0.75 0.43 1.96 -0.73 0.00 0.00 179.01 181.32 2hmq h GLN 59 N 0.67 1.14 -0.41 1.92 4.20 -0.88 -1.00 115.11 120.76 2hmq h GLN 59 Ca 0.13 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2hmq h GLN 59 Cb 0.45 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2hmq h GLN 59 CO 0.02 0.85 0.09 1.96 -0.67 0.00 0.00 178.83 181.09 2hmq h GLN 60 N 1.14 0.66 -0.63 1.46 4.20 -0.95 -0.99 115.11 119.99 2hmq h GLN 60 Ca 0.28 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2hmq h GLN 60 Cb 0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2hmq h GLN 60 CO -0.04 0.69 0.39 1.25 -0.67 0.00 0.00 178.83 180.45 2hmq h LEU 61 N 0.52 0.65 -0.43 1.46 5.85 -0.92 -0.85 115.31 121.58 2hmq h LEU 61 Ca 0.13 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2hmq h LEU 61 Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2hmq h LEU 61 CO 0.00 0.45 0.21 0.24 -0.34 0.00 0.00 178.44 179.01 2hmq h MET 62 N 0.78 0.62 -0.41 1.25 2.86 -0.93 -3.08 114.93 116.02 2hmq h MET 62 Ca 0.25 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2hmq h MET 62 Cb 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2hmq h MET 62 CO -0.10 0.53 0.16 1.96 1.06 0.00 0.00 176.91 180.53 2hmq h GLN 63 N 0.56 0.58 0.00 1.72 4.20 -0.61 -1.46 115.11 120.10 2hmq h GLN 63 Ca 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2hmq h GLN 63 Cb 0.12 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2hmq h GLN 63 CO -0.02 0.49 -0.01 0.00 -0.67 0.00 0.00 178.83 178.62 2hmq h ALA 64 N 1.60 1.19 -0.06 3.87 0.00 -1.08 -1.86 119.26 122.91 2hmq h ALA 64 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hmq h ALA 64 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hmq h ALA 64 CO -0.01 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2hmq n SER 65 N -3.37 2.43 -3.90 0.00 7.64 -1.10 -4.98 113.62 110.34 2hmq n SER 65 Ca -0.03 -2.52 -0.25 0.00 1.01 0.00 0.00 58.87 57.08 2hmq n SER 65 Cb 0.10 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.04 2hmq n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hmq n GLN 66 N -0.76 -3.54 -1.66 1.43 6.02 -0.70 -4.83 117.38 113.34 2hmq n GLN 66 Ca 0.10 0.44 -0.47 0.00 -0.01 0.00 0.00 57.00 57.06 2hmq n GLN 66 Cb 0.48 -4.63 -0.04 0.00 1.02 0.00 0.00 30.24 27.07 2hmq n GLN 66 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2hmq n TYR 67 N -4.37 2.20 0.23 1.08 4.19 -0.57 -4.88 117.16 115.04 2hmq n TYR 67 Ca -0.31 0.28 0.07 0.00 3.31 0.00 0.00 57.90 61.26 2hmq n TYR 67 Cb 0.68 -2.53 0.61 0.00 0.49 0.00 0.00 39.34 38.59 2hmq n TYR 67 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2hmq h ALA 68 N 6.06 1.96 -0.47 2.98 0.00 -1.91 -2.71 119.26 125.16 2hmq h ALA 68 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2hmq h ALA 68 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2hmq h ALA 68 CO 0.88 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2hmq n GLY 69 N -1.52 2.54 0.45 0.00 0.00 -1.26 -4.58 105.19 100.82 2hmq n GLY 69 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 2hmq n GLY 69 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2hmq h TYR 70 N 3.18 -1.04 -0.83 1.61 5.03 -1.86 -2.39 116.97 120.67 2hmq h TYR 70 Ca 0.00 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.39 2hmq h TYR 70 Cb 1.55 0.35 -0.06 0.00 1.55 0.00 0.00 36.73 40.11 2hmq h TYR 70 CO 0.80 -0.64 0.54 0.00 -1.32 0.00 0.00 178.16 177.54 2hmq h ALA 71 N -0.91 1.74 -0.19 1.82 0.00 -1.86 0.55 119.26 120.42 2hmq h ALA 71 Ca -0.11 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 2hmq h ALA 71 Cb 0.85 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2hmq h ALA 71 CO 0.17 0.08 -0.62 0.93 0.00 0.00 0.00 179.25 179.81 2hmq h GLU 72 N 0.76 0.66 -0.06 0.00 3.07 -1.90 -1.14 114.58 115.97 2hmq h GLU 72 Ca 0.39 -0.46 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2hmq h GLU 72 Cb 0.48 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2hmq h GLU 72 CO -0.16 1.08 -0.28 1.25 -1.40 0.00 0.00 179.01 179.51 2hmq h HIS 73 N 0.49 0.40 -0.74 4.33 2.76 -0.72 -1.94 115.15 119.73 2hmq h HIS 73 Ca -0.01 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 2hmq h HIS 73 Cb 1.20 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 2hmq h HIS 73 CO 0.06 0.90 0.40 -0.22 -1.30 0.00 0.00 177.93 177.76 2hmq h LYS 74 N -0.21 1.02 -0.68 5.26 3.64 0.14 -2.13 116.57 123.62 2hmq h LYS 74 Ca -0.02 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2hmq h LYS 74 Cb 0.92 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 2hmq h LYS 74 CO 0.06 0.76 0.17 -0.22 -2.27 0.00 0.00 179.45 177.95 2hmq h LYS 75 N 1.03 1.07 -0.14 1.90 1.63 -1.02 -0.92 116.57 120.11 2hmq h LYS 75 Ca 0.26 -0.24 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 2hmq h LYS 75 Cb 0.04 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 2hmq h LYS 75 CO -0.04 0.93 -0.12 0.00 -3.45 0.00 0.00 179.45 176.77 2hmq h ALA 76 N 1.17 -0.01 -0.29 5.00 0.00 -0.77 -2.37 119.26 121.98 2hmq h ALA 76 Ca 0.22 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2hmq h ALA 76 Cb 0.34 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2hmq h ALA 76 CO -0.00 -0.57 0.08 0.45 0.00 0.00 0.00 179.25 179.22 2hmq h HIS 77 N -0.13 0.14 0.00 0.00 3.86 -1.01 -2.86 115.15 115.15 2hmq h HIS 77 Ca 0.09 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2hmq h HIS 77 Cb 0.27 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2hmq h HIS 77 CO -0.25 0.05 -0.18 -0.44 0.86 0.00 0.00 177.93 177.98 2hmq h ASP 78 N 0.20 0.00 -0.17 2.45 3.45 -0.96 -1.17 116.42 120.22 2hmq h ASP 78 Ca 0.13 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.43 2hmq h ASP 78 Cb 0.12 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2hmq h ASP 78 CO -0.15 0.18 -0.54 0.44 -1.57 0.00 0.00 179.24 177.60 2hmq h ASP 79 N 0.00 0.78 -0.26 6.45 3.45 -1.31 -2.49 116.42 123.03 2hmq h ASP 79 Ca -0.00 -0.60 -0.04 0.00 0.43 0.00 0.00 57.03 56.82 2hmq h ASP 79 Cb 0.34 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 2hmq h ASP 79 CO 0.02 1.24 0.01 0.15 -1.57 0.00 0.00 179.24 179.09 2hmq h PHE 80 N 0.36 0.50 -0.38 4.55 3.57 -1.25 -1.86 116.94 122.43 2hmq h PHE 80 Ca -0.02 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.48 2hmq h PHE 80 Cb 1.17 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 2hmq h PHE 80 CO 0.09 0.61 -0.18 0.82 -2.23 0.00 0.00 178.31 177.43 2hmq h ILE 81 N 0.25 0.46 -0.86 1.41 1.08 -1.21 -1.29 117.51 117.35 2hmq h ILE 81 Ca 0.08 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.69 2hmq h ILE 81 Cb 0.41 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.52 2hmq h ILE 81 CO 0.01 0.00 0.46 -0.74 -0.69 0.00 0.00 178.15 177.19 2hmq h HIS 82 N -0.11 0.80 -0.81 1.37 2.76 -1.18 0.34 115.15 118.32 2hmq h HIS 82 Ca 0.19 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2hmq h HIS 82 Cb 0.40 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 2hmq h HIS 82 CO -0.41 0.21 0.47 0.87 -1.30 0.00 0.00 177.93 177.78 2hmq h LYS 83 N 0.66 1.10 -0.01 5.26 1.79 -0.43 -2.26 116.57 122.68 2hmq h LYS 83 Ca 0.46 -0.10 -0.13 0.00 -2.18 0.00 0.00 60.65 58.70 2hmq h LYS 83 Cb 0.62 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2hmq h LYS 83 CO -0.34 0.78 -0.60 -0.07 -1.08 0.00 0.00 179.45 178.13 2hmq h LEU 84 N 1.11 0.05 -0.14 2.94 3.38 -0.21 -1.84 115.31 120.60 2hmq h LEU 84 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2hmq h LEU 84 Cb -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2hmq h LEU 84 CO -0.05 0.63 0.00 0.44 0.09 0.00 0.00 178.44 179.55 2hmq h ASP 85 N 0.03 0.00 -0.90 -0.43 3.45 -0.44 -3.01 116.42 115.12 2hmq h ASP 85 Ca -0.01 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 2hmq h ASP 85 Cb 1.06 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 39.41 2hmq h ASP 85 CO 0.08 0.00 -0.84 0.35 -1.57 0.00 0.00 179.24 177.26 2hmq n THR 86 N -2.32 2.34 -1.56 0.35 -2.24 -0.92 -5.08 114.28 104.85 2hmq n THR 86 Ca 0.05 -4.23 -0.44 0.00 -2.27 0.00 0.00 64.05 57.16 2hmq n THR 86 Cb 0.40 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.71 2hmq n THR 86 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2hmq n TRP 87 N -0.63 0.94 -0.14 4.78 -0.00 -0.71 -4.90 117.44 116.79 2hmq n TRP 87 Ca 0.39 0.69 0.00 0.00 -0.00 0.00 0.00 57.50 58.58 2hmq n TRP 87 Cb 0.88 -2.20 0.00 0.00 -0.00 0.00 0.00 31.31 29.99 2hmq n TRP 87 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2hmq n ASP 88 N 1.18 0.86 0.00 5.87 3.85 -1.26 -4.98 116.55 122.07 2hmq n ASP 88 Ca 0.10 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.18 2hmq n ASP 88 Cb 0.33 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 2hmq n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2hmq n GLY 89 N -0.00 0.73 3.57 6.12 0.00 -1.26 -4.98 105.19 109.37 2hmq n GLY 89 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2hmq n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hmq s ASP 90 N -2.34 6.62 0.45 1.61 3.68 -1.26 -4.71 116.67 120.72 2hmq s ASP 90 Ca 0.00 -1.87 0.25 0.00 2.13 0.00 0.00 52.55 53.06 2hmq s ASP 90 Cb 0.00 -2.57 0.90 0.00 -1.45 0.00 0.00 42.92 39.80 2hmq s ASP 90 CO 0.00 -1.39 1.81 0.58 0.13 0.00 0.00 175.17 176.30 2hmq h VAL 91 N 6.27 0.41 0.11 1.11 2.07 -1.96 -3.02 116.25 121.23 2hmq h VAL 91 Ca 0.31 -1.06 -0.28 0.00 0.82 0.00 0.00 66.70 66.49 2hmq h VAL 91 Cb 0.95 1.78 0.02 0.00 -1.52 0.00 0.00 31.29 32.52 2hmq h VAL 91 CO 1.44 0.17 -1.19 0.74 0.02 0.00 0.00 177.57 178.75 2hmq h THR 92 N 0.00 1.38 -0.27 2.57 2.02 -2.00 -1.64 112.91 114.97 2hmq h THR 92 Ca -0.00 -2.68 0.04 0.00 0.77 0.00 0.00 66.41 64.54 2hmq h THR 92 Cb 0.77 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.88 2hmq h THR 92 CO 0.02 0.80 0.03 0.22 0.37 0.00 0.00 175.52 176.96 2hmq h TYR 93 N 0.19 0.05 -0.39 3.16 5.03 -1.93 -2.40 116.97 120.67 2hmq h TYR 93 Ca -0.15 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 2hmq h TYR 93 Cb 1.87 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.16 2hmq h TYR 93 CO 0.09 -0.01 0.01 0.00 -1.32 0.00 0.00 178.16 176.93 2hmq h ALA 94 N 1.21 0.52 -0.74 1.82 0.00 -1.47 0.69 119.26 121.29 2hmq h ALA 94 Ca 0.13 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2hmq h ALA 94 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2hmq h ALA 94 CO -0.19 0.28 0.49 0.87 0.00 0.00 0.00 179.25 180.70 2hmq h LYS 95 N 0.50 0.83 0.03 0.00 1.57 -1.23 -1.61 116.57 116.67 2hmq h LYS 95 Ca 0.11 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2hmq h LYS 95 Cb 0.45 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2hmq h LYS 95 CO 0.02 0.55 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.46 2hmq h ASN 96 N 0.86 -0.04 -0.04 0.86 -1.24 -1.30 -3.04 115.58 111.64 2hmq h ASN 96 Ca 0.31 -0.64 0.04 0.00 0.71 0.00 0.00 56.30 56.71 2hmq h ASN 96 Cb 0.13 0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.13 2hmq h ASN 96 CO -0.09 0.66 -0.38 -0.25 -1.29 0.00 0.00 177.43 176.08 2hmq h TRP 97 N -0.78 -1.06 -0.49 0.67 7.01 -0.54 -2.67 115.95 118.08 2hmq h TRP 97 Ca -0.00 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 2hmq h TRP 97 Cb 0.68 0.47 -0.02 0.00 -2.10 0.00 0.00 29.16 28.19 2hmq h TRP 97 CO 0.16 -0.46 0.32 1.25 -2.79 0.00 0.00 178.44 176.93 2hmq h LEU 98 N -0.50 0.57 -0.19 0.65 5.85 -1.40 0.13 115.31 120.41 2hmq h LEU 98 Ca 0.06 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2hmq h LEU 98 Cb 0.61 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2hmq h LEU 98 CO -0.32 0.42 0.00 0.58 -0.34 0.00 0.00 178.44 178.78 2hmq h VAL 99 N 0.66 0.87 -0.22 1.05 2.07 -1.40 -2.10 116.25 117.18 2hmq h VAL 99 Ca 0.18 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 2hmq h VAL 99 Cb -0.06 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2hmq h VAL 99 CO -0.04 0.01 -0.15 0.78 0.02 0.00 0.00 177.57 178.20 2hmq h ASN 100 N 0.07 0.51 -0.16 0.57 4.21 -1.31 -2.35 115.58 117.11 2hmq h ASN 100 Ca 0.09 -0.44 0.05 0.00 1.21 0.00 0.00 56.30 57.21 2hmq h ASN 100 Cb 0.11 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.11 2hmq h ASN 100 CO -0.15 0.84 -0.22 -0.74 -1.29 0.00 0.00 177.43 175.87 2hmq h HIS 101 N 0.18 -0.58 0.49 1.19 2.76 -0.66 0.42 115.15 118.95 2hmq h HIS 101 Ca 0.04 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2hmq h HIS 101 Cb 0.67 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2hmq h HIS 101 CO 0.07 -0.30 -0.23 0.82 -1.30 0.00 0.00 177.93 176.99 2hmq h ILE 102 N -0.26 0.52 0.00 6.26 2.04 -1.39 -1.06 117.51 123.62 2hmq h ILE 102 Ca 0.11 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2hmq h ILE 102 Cb 0.43 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2hmq h ILE 102 CO -0.31 0.01 0.00 0.29 0.00 0.00 0.00 178.15 178.14 2hmq n LYS 103 N -5.36 0.17 0.01 2.37 5.02 -0.89 -0.98 118.16 118.51 2hmq n LYS 103 Ca -0.12 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 2hmq n LYS 103 Cb 0.28 -1.81 -0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2hmq n LYS 103 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2hmq n THR 104 N -2.14 0.86 -0.03 -0.18 -2.24 0.12 -4.51 114.28 106.16 2hmq n THR 104 Ca 0.03 0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2hmq n THR 104 Cb 0.24 -1.53 -0.11 0.00 -2.10 0.00 0.00 70.33 66.83 2hmq n THR 104 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2hmq h ILE 105 N -0.13 1.53 -0.35 2.28 1.08 -1.46 -2.92 117.51 117.54 2hmq h ILE 105 Ca 0.00 -1.64 -0.11 0.00 -0.39 0.00 0.00 64.86 62.72 2hmq h ILE 105 Cb 0.13 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 2hmq h ILE 105 CO 0.00 0.43 -0.22 0.44 -0.69 0.00 0.00 178.15 178.11 2hmq h ASP 106 N -0.60 0.81 0.05 1.72 5.19 -1.19 -2.97 116.42 119.43 2hmq h ASP 106 Ca -0.00 -0.43 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2hmq h ASP 106 Cb 0.74 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2hmq h ASP 106 CO 0.01 1.06 -0.00 -0.26 -3.12 0.00 0.00 179.24 176.93 2hmq h PHE 107 N 0.56 0.00 -0.02 4.55 0.05 -1.07 -1.97 116.94 119.03 2hmq h PHE 107 Ca 0.07 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.77 2hmq h PHE 107 Cb 0.78 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.72 2hmq h PHE 107 CO 0.06 0.00 -0.41 -0.22 -0.18 0.00 0.00 178.31 177.57 2hmq h LYS 108 N 0.00 0.04 -0.00 1.51 3.64 -1.34 -2.67 116.57 117.75 2hmq h LYS 108 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hmq h LYS 108 Cb 0.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2hmq h LYS 108 CO 0.00 0.44 -0.12 2.48 -2.27 0.00 0.00 179.45 179.99 2hmq n TYR 109 N -4.05 0.00 -1.71 1.91 0.18 -0.74 -4.87 117.16 107.88 2hmq n TYR 109 Ca -0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.33 2hmq n TYR 109 Cb 0.44 -0.28 -0.01 0.00 -0.38 0.00 0.00 39.34 39.11 2hmq n TYR 109 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2hmq n ARG 110 N -1.20 2.26 -0.23 -3.48 1.74 -1.01 -1.13 116.66 113.61 2hmq n ARG 110 Ca 0.12 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 2hmq n ARG 110 Cb 0.29 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 2hmq n ARG 110 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hmq n GLY 111 N 1.35 2.37 0.02 -0.13 0.00 -1.26 -4.80 105.19 102.73 2hmq n GLY 111 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2hmq n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hmq n LYS 112 N -2.00 4.08 0.00 1.61 5.02 -0.28 -5.27 118.16 121.32 2hmq n LYS 112 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2hmq n LYS 112 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2hmq n LYS 112 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32