#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s LYS 2 N 0.00 2.56 0.35 0.54 1.02 -1.26 -5.14 119.74 117.82 2hgq s LYS 2 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 55.32 2hgq s LYS 2 Cb 0.00 -2.38 -0.06 0.00 -0.52 0.00 0.00 37.83 34.88 2hgq s LYS 2 CO 0.00 0.58 0.06 -1.01 -0.92 0.00 0.00 175.35 174.06 2hgq s HIS 3 N -0.62 1.98 -1.29 3.18 3.76 -1.26 -5.09 115.29 115.94 2hgq s HIS 3 Ca 0.09 -0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 53.91 2hgq s HIS 3 Cb -0.11 -1.32 0.15 0.00 1.11 0.00 0.00 32.58 32.42 2hgq s HIS 3 CO 0.01 0.00 1.88 0.41 -0.85 0.00 0.00 174.74 176.19 2hgq n GLY 4 N -0.77 4.60 3.64 -2.22 0.00 -1.26 -4.86 105.19 104.33 2hgq n GLY 4 Ca -0.04 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 2hgq n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 5 N 0.79 0.57 0.34 1.61 3.01 -1.26 -5.00 119.74 119.80 2hgq s LYS 5 Ca 0.41 0.98 0.18 0.00 -1.01 0.00 0.00 55.97 56.53 2hgq s LYS 5 Cb 0.09 0.11 0.19 0.00 -1.01 0.00 0.00 37.83 37.21 2hgq s LYS 5 CO -0.00 -0.12 1.52 0.07 0.51 0.00 0.00 175.35 177.32 2hgq h ARG 6 N 6.59 0.00 -0.23 1.68 -0.00 -2.05 -2.43 114.38 117.93 2hgq h ARG 6 Ca -0.29 0.00 0.07 0.00 -0.00 0.00 0.00 59.98 59.76 2hgq h ARG 6 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 2hgq h ARG 6 CO 0.18 0.33 0.68 -0.92 -0.00 0.00 0.00 179.97 180.24 2hgq h TYR 7 N 0.00 0.00 -0.64 4.08 3.20 -1.98 -2.47 116.97 119.15 2hgq h TYR 7 Ca -0.00 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2hgq h TYR 7 Cb 1.23 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.38 2hgq h TYR 7 CO 0.00 0.00 0.17 -2.13 -1.64 0.00 0.00 178.16 174.56 2hgq n ARG 8 N -2.98 -0.05 0.37 1.82 3.00 -0.92 0.17 116.66 118.08 2hgq n ARG 8 Ca 0.04 0.93 -0.18 0.00 -0.00 0.00 0.00 57.85 58.64 2hgq n ARG 8 Cb 0.78 -1.57 -0.09 0.00 0.00 0.00 0.00 32.46 31.58 2hgq n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgq h ALA 9 N 1.29 -0.90 -0.96 5.13 0.00 -1.74 0.05 119.26 122.13 2hgq h ALA 9 Ca 0.47 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.38 2hgq h ALA 9 Cb 1.11 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2hgq h ALA 9 CO -0.55 -1.00 0.62 1.25 0.00 0.00 0.00 179.25 179.56 2hgq h LEU 10 N -0.92 0.54 -0.61 0.00 5.85 0.15 0.35 115.31 120.67 2hgq h LEU 10 Ca -0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2hgq h LEU 10 Cb 0.70 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2hgq h LEU 10 CO 0.15 0.19 0.34 0.25 -0.34 0.00 0.00 178.44 179.04 2hgq h LEU 11 N 0.52 0.76 -0.90 2.25 5.85 -0.34 0.03 115.31 123.49 2hgq h LEU 11 Ca 0.52 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.22 2hgq h LEU 11 Cb 1.13 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2hgq h LEU 11 CO -0.25 0.62 0.56 -0.33 -0.34 0.00 0.00 178.44 178.70 2hgq h GLU 12 N 0.83 1.00 -0.32 1.25 4.39 0.16 0.26 114.58 122.15 2hgq h GLU 12 Ca 0.22 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.92 2hgq h GLU 12 Cb 0.03 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.40 2hgq h GLU 12 CO -0.04 0.66 -0.03 0.87 -1.16 0.00 0.00 179.01 179.31 2hgq h LYS 13 N 1.03 0.05 -5.60 2.33 1.57 -0.02 -3.38 116.57 112.55 2hgq h LYS 13 Ca 0.39 -0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.71 2hgq h LYS 13 Cb 0.16 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.47 2hgq h LYS 13 CO -0.17 0.03 1.64 0.28 -0.57 0.00 0.00 179.45 180.66 2hgq n VAL 14 N -5.21 -0.09 -3.74 0.50 0.31 0.91 -4.95 118.33 106.07 2hgq n VAL 14 Ca 0.00 -0.80 -0.34 0.00 -0.01 0.00 0.00 64.34 63.20 2hgq n VAL 14 Cb 0.17 -2.78 -0.09 0.00 -0.91 0.00 0.00 33.84 30.23 2hgq n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hgq s ASP 15 N 12.24 5.47 -0.85 4.52 2.15 -1.26 -4.87 116.67 134.07 2hgq s ASP 15 Ca 0.99 -3.60 -0.23 0.00 0.43 0.00 0.00 52.55 50.14 2hgq s ASP 15 Cb -0.19 -1.81 -0.15 0.00 -0.30 0.00 0.00 42.92 40.47 2hgq s ASP 15 CO 0.26 -0.18 1.91 -0.81 -0.17 0.00 0.00 175.17 176.18 2hgq n PRO 16 N 2.43 1.41 0.00 4.34 -0.04 -1.26 -4.02 135.00 137.86 2hgq n PRO 16 Ca 0.18 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 2hgq n PRO 16 Cb 0.36 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2hgq n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hgq n ASN 17 N 9.84 2.76 -4.75 3.54 3.02 -1.26 -5.07 115.26 123.34 2hgq n ASN 17 Ca 0.48 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.77 2hgq n ASN 17 Cb 0.42 0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 2hgq n ASN 17 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2hgq s LYS 18 N -1.61 2.71 0.00 3.52 2.20 -1.26 -5.00 119.74 120.31 2hgq s LYS 18 Ca 0.00 -1.00 0.18 0.00 -0.36 0.00 0.00 55.97 54.79 2hgq s LYS 18 Cb 0.00 -2.51 0.14 0.00 -1.51 0.00 0.00 37.83 33.95 2hgq s LYS 18 CO 0.00 0.46 1.07 -0.89 -0.36 0.00 0.00 175.35 175.63 2hgq n ILE 19 N -0.43 0.00 0.00 5.43 2.08 -1.26 -4.68 119.36 120.50 2hgq n ILE 19 Ca -0.09 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.73 2hgq n ILE 19 Cb 0.56 1.37 0.00 0.00 -0.75 0.00 0.00 39.64 40.82 2hgq n ILE 19 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2hgq n TYR 20 N 1.01 0.00 -3.73 1.39 4.02 -1.26 -2.59 117.16 115.99 2hgq n TYR 20 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.90 2hgq n TYR 20 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 2hgq n TYR 20 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2hgq s THR 21 N 0.00 0.03 0.00 -0.72 -4.23 -1.26 -2.42 115.64 107.04 2hgq s THR 21 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2hgq s THR 21 Cb 0.00 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2hgq s THR 21 CO 0.00 -0.13 0.64 -0.38 -0.54 0.00 0.00 174.62 174.21 2hgq n ILE 22 N -0.33 0.00 -0.24 2.99 5.41 -1.24 -1.09 119.36 124.86 2hgq n ILE 22 Ca -0.10 1.14 0.04 0.00 1.00 0.00 0.00 62.75 64.83 2hgq n ILE 22 Cb 0.63 -1.64 0.16 0.00 -0.71 0.00 0.00 39.64 38.07 2hgq n ILE 22 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2hgq h ASP 23 N 0.00 -0.01 -0.35 4.38 3.32 -1.87 0.47 116.42 122.36 2hgq h ASP 23 Ca 0.00 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2hgq h ASP 23 Cb 0.00 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 2hgq h ASP 23 CO 0.00 -0.03 -0.41 -0.33 -1.72 0.00 0.00 179.24 176.74 2hgq h GLU 24 N 0.26 -0.34 -0.64 3.56 5.08 -1.91 0.33 114.58 120.91 2hgq h GLU 24 Ca 0.39 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.87 2hgq h GLU 24 Cb 0.64 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.86 2hgq h GLU 24 CO -0.49 -0.22 -0.42 0.00 -1.00 0.00 0.00 179.01 176.87 2hgq h ALA 25 N 0.41 -0.24 -0.68 3.43 0.00 0.15 0.34 119.26 122.67 2hgq h ALA 25 Ca 0.13 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2hgq h ALA 25 Cb 0.59 0.95 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 2hgq h ALA 25 CO -0.53 -0.79 -0.35 0.00 0.00 0.00 0.00 179.25 177.58 2hgq h ALA 26 N 0.75 -0.00 0.85 0.00 0.00 0.67 0.14 119.26 121.67 2hgq h ALA 26 Ca 0.20 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2hgq h ALA 26 Cb 0.56 0.83 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2hgq h ALA 26 CO -0.73 -0.67 -0.41 0.45 0.00 0.00 0.00 179.25 177.90 2hgq h HIS 27 N -0.13 -1.06 -0.03 0.00 -0.00 0.16 -0.83 115.15 113.26 2hgq h HIS 27 Ca 0.26 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 2hgq h HIS 27 Cb 0.56 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.32 2hgq h HIS 27 CO -0.69 -0.65 -0.04 1.25 -0.00 0.00 0.00 177.93 177.80 2hgq h LEU 28 N -1.22 0.04 -0.00 2.43 5.85 -0.89 -0.71 115.31 120.81 2hgq h LEU 28 Ca -0.12 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2hgq h LEU 28 Cb 0.88 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2hgq h LEU 28 CO 0.19 0.09 -0.01 1.62 -0.34 0.00 0.00 178.44 179.99 2hgq h VAL 29 N 0.04 1.51 -0.69 1.05 3.04 -0.93 0.90 116.25 121.18 2hgq h VAL 29 Ca 0.01 -1.52 0.14 0.00 -1.01 0.00 0.00 66.70 64.32 2hgq h VAL 29 Cb 0.10 2.54 -0.10 0.00 -2.01 0.00 0.00 31.29 31.82 2hgq h VAL 29 CO 0.01 0.40 0.17 0.11 -1.01 0.00 0.00 177.57 177.24 2hgq h LYS 30 N -0.63 0.27 -0.03 4.17 1.57 -0.80 -0.87 116.57 120.26 2hgq h LYS 30 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2hgq h LYS 30 Cb 0.65 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2hgq h LYS 30 CO 0.00 0.18 -0.01 0.93 -0.57 0.00 0.00 179.45 179.99 2hgq h GLU 31 N 0.28 0.05 -0.75 3.15 5.08 -1.12 -3.33 114.58 117.95 2hgq h GLU 31 Ca 0.38 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.89 2hgq h GLU 31 Cb 0.61 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.73 2hgq h GLU 31 CO -0.46 0.40 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.82 2hgq h LEU 32 N -0.29 -0.44 -7.29 1.33 3.38 0.33 -3.42 115.31 108.91 2hgq h LEU 32 Ca 0.01 0.20 -0.38 0.00 0.09 0.00 0.00 57.88 57.80 2hgq h LEU 32 Cb 0.38 0.38 -0.39 0.00 0.09 0.00 0.00 40.66 41.11 2hgq h LEU 32 CO 0.00 -0.20 -0.74 0.00 0.09 0.00 0.00 178.44 177.59 2hgq s ALA 33 N -6.15 0.24 -0.17 1.53 0.00 -0.44 -4.85 121.76 111.93 2hgq s ALA 33 Ca -0.14 0.15 0.24 0.00 0.00 0.00 0.00 51.96 52.22 2hgq s ALA 33 Cb 0.22 -0.65 0.48 0.00 0.00 0.00 0.00 23.12 23.17 2hgq s ALA 33 CO 0.75 -0.54 1.13 2.41 0.00 0.00 0.00 175.76 179.51 2hgq n THR 34 N 5.30 0.84 0.00 0.00 -1.04 -1.26 -3.59 114.28 114.53 2hgq n THR 34 Ca -0.03 -2.26 0.00 0.00 -2.04 0.00 0.00 64.05 59.72 2hgq n THR 34 Cb 0.50 1.15 0.00 0.00 -1.82 0.00 0.00 70.33 70.16 2hgq n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgq n ALA 35 N -0.21 0.00 -1.78 2.41 0.00 -1.26 -4.61 120.51 115.06 2hgq n ALA 35 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 2hgq n ALA 35 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.36 2hgq n ALA 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2hgq s LYS 36 N 0.00 4.14 4.09 0.00 2.47 -1.26 -4.57 119.74 124.62 2hgq s LYS 36 Ca 0.00 2.54 0.00 0.00 -1.56 0.00 0.00 55.97 56.95 2hgq s LYS 36 Cb 0.00 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 2hgq s LYS 36 CO 0.00 -0.62 0.00 1.97 0.16 0.00 0.00 175.35 176.86 2hgq n PHE 37 N 2.51 0.00 -4.40 4.03 1.16 -1.26 -4.57 117.46 114.93 2hgq n PHE 37 Ca 0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.39 2hgq n PHE 37 Cb 0.38 0.05 -0.17 0.00 -1.61 0.00 0.00 39.48 38.13 2hgq n PHE 37 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2hgq s ASP 38 N -4.00 2.46 0.00 5.98 2.15 -1.26 -4.82 116.67 117.19 2hgq s ASP 38 Ca 0.00 -0.43 -0.00 0.00 0.43 0.00 0.00 52.55 52.55 2hgq s ASP 38 Cb 0.00 -1.10 -0.00 0.00 -0.30 0.00 0.00 42.92 41.52 2hgq s ASP 38 CO 0.00 0.01 0.00 1.21 -0.17 0.00 0.00 175.17 176.22 2hgq n GLU 39 N 4.28 0.00 -2.33 4.34 4.07 -1.24 -4.78 120.64 124.98 2hgq n GLU 39 Ca -0.19 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.67 2hgq n GLU 39 Cb 0.51 -0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.90 2hgq n GLU 39 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2hgq n THR 40 N -0.00 2.34 -1.18 6.31 -1.04 -1.26 -3.63 114.28 115.81 2hgq n THR 40 Ca 0.00 -4.54 -0.38 0.00 -2.04 0.00 0.00 64.05 57.09 2hgq n THR 40 Cb 0.00 -1.07 0.03 0.00 -1.82 0.00 0.00 70.33 67.47 2hgq n THR 40 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2hgq n VAL 41 N -0.55 0.31 -3.85 12.58 0.31 -1.26 -4.00 118.33 121.87 2hgq n VAL 41 Ca 0.39 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 64.14 2hgq n VAL 41 Cb 0.78 -0.13 -0.06 0.00 -0.91 0.00 0.00 33.84 33.53 2hgq n VAL 41 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hgq s GLU 42 N -1.58 1.19 0.10 5.55 0.41 0.01 -4.73 118.70 119.64 2hgq s GLU 42 Ca 0.54 -1.02 0.08 0.00 -0.41 0.00 0.00 54.97 54.17 2hgq s GLU 42 Cb -0.38 0.43 -0.04 0.00 -1.78 0.00 0.00 34.13 32.36 2hgq s GLU 42 CO 0.69 -0.46 -0.18 0.08 -0.49 0.00 0.00 175.26 174.91 2hgq s VAL 43 N -3.91 2.86 0.04 2.63 1.01 -0.25 -0.88 120.40 121.89 2hgq s VAL 43 Ca 0.12 -1.43 -0.07 0.00 0.00 0.00 0.00 61.98 60.60 2hgq s VAL 43 Cb 0.02 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2hgq s VAL 43 CO -0.03 0.15 0.15 -1.00 0.00 0.00 0.00 175.10 174.37 2hgq s HIS 44 N -1.10 0.14 0.20 5.22 0.09 -0.16 -1.17 115.29 118.51 2hgq s HIS 44 Ca 0.17 -0.42 -0.23 0.00 -0.00 0.00 0.00 55.06 54.58 2hgq s HIS 44 Cb -0.11 -0.09 0.05 0.00 -0.00 0.00 0.00 32.58 32.44 2hgq s HIS 44 CO 0.09 -0.41 0.90 0.00 -0.00 0.00 0.00 174.74 175.32 2hgq s ALA 45 N -2.73 -1.48 -0.01 -1.40 0.00 -0.37 -1.11 121.76 114.64 2hgq s ALA 45 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2hgq s ALA 45 Cb -0.00 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2hgq s ALA 45 CO -0.05 -1.04 -0.05 -1.59 0.00 0.00 0.00 175.76 173.02 2hgq s LYS 46 N -3.30 0.54 0.05 0.00 0.00 -0.17 -0.86 119.74 116.01 2hgq s LYS 46 Ca 0.13 -0.18 0.06 0.00 0.00 0.00 0.00 55.97 55.98 2hgq s LYS 46 Cb -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 37.83 37.22 2hgq s LYS 46 CO 0.04 0.07 -0.14 -0.48 0.00 0.00 0.00 175.35 174.85 2hgq s LEU 47 N 0.13 2.83 -1.00 2.77 2.34 -0.12 -1.17 118.68 124.45 2hgq s LEU 47 Ca -0.01 -0.36 -0.20 0.00 0.06 0.00 0.00 54.13 53.62 2hgq s LEU 47 Cb -0.05 -1.65 -0.09 0.00 -0.56 0.00 0.00 46.19 43.84 2hgq s LEU 47 CO -0.00 0.25 2.00 0.61 -1.06 0.00 0.00 176.35 178.14 2hgq n GLY 48 N 1.37 2.90 0.00 -3.48 0.00 0.12 -4.77 105.19 101.33 2hgq n GLY 48 Ca -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2hgq n GLY 48 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hgq n ILE 49 N 5.95 0.00 -2.68 -0.61 -5.35 -1.26 -4.41 119.36 110.99 2hgq n ILE 49 Ca 0.50 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.98 2hgq n ILE 49 Cb 0.41 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.33 2hgq n ILE 49 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2hgq s ASP 50 N 0.29 -0.14 0.00 7.28 -1.08 -1.26 -5.06 116.67 116.70 2hgq s ASP 50 Ca 0.00 -0.11 0.09 0.00 -0.52 0.00 0.00 52.55 52.00 2hgq s ASP 50 Cb 0.00 0.18 0.41 0.00 -1.46 0.00 0.00 42.92 42.06 2hgq s ASP 50 CO 0.00 -0.01 1.21 -0.81 0.52 0.00 0.00 175.17 176.08 2hgq n PRO 51 N 3.13 0.07 -0.01 4.34 -0.04 -1.26 -3.37 135.00 137.86 2hgq n PRO 51 Ca 0.07 0.26 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2hgq n PRO 51 Cb 0.65 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 2hgq n PRO 51 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2hgq h ARG 52 N 0.00 0.07 -4.85 0.54 0.11 -1.97 -3.26 114.38 105.02 2hgq h ARG 52 Ca 0.00 -0.03 -0.73 0.00 0.10 0.00 0.00 59.98 59.33 2hgq h ARG 52 Cb 0.11 -0.01 -0.17 0.00 1.11 0.00 0.00 29.97 31.01 2hgq h ARG 52 CO 0.00 0.40 1.35 1.03 0.10 0.00 0.00 179.97 182.85 2hgq s ARG 53 N -4.82 4.04 0.00 0.08 0.52 -1.22 -4.87 118.95 112.68 2hgq s ARG 53 Ca -0.15 -2.46 0.00 0.00 -0.52 0.00 0.00 55.73 52.60 2hgq s ARG 53 Cb 0.04 -5.08 0.00 0.00 0.52 0.00 0.00 34.95 30.43 2hgq s ARG 53 CO 0.68 -1.80 0.00 0.43 0.02 0.00 0.00 175.30 174.64 2hgq n SER 54 N 5.90 0.00 -1.16 0.23 7.64 -1.23 -3.67 113.62 121.34 2hgq n SER 54 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2hgq n SER 54 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 2hgq n SER 54 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2hgq n ASP 55 N -0.32 2.22 0.00 6.43 5.75 -1.26 -1.60 116.55 127.76 2hgq n ASP 55 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2hgq n ASP 55 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2hgq n ASP 55 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgq n GLN 56 N 0.91 0.00 -1.64 0.11 6.02 -1.24 -4.40 117.38 117.14 2hgq n GLN 56 Ca 0.00 0.00 -0.54 0.00 -0.01 0.00 0.00 57.00 56.45 2hgq n GLN 56 Cb 0.31 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.51 2hgq n GLN 56 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2hgq n ASN 57 N 0.00 2.55 -4.73 1.08 3.02 -0.63 -4.56 115.26 111.99 2hgq n ASN 57 Ca 0.00 0.90 -0.29 0.00 -0.03 0.00 0.00 54.58 55.16 2hgq n ASN 57 Cb 0.00 -1.21 -0.08 0.00 -0.61 0.00 0.00 39.78 37.88 2hgq n ASN 57 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hgq s VAL 58 N 4.56 1.71 0.00 2.41 -7.23 -1.26 -5.04 120.40 115.55 2hgq s VAL 58 Ca 1.00 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2hgq s VAL 58 Cb -0.95 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 33.40 2hgq s VAL 58 CO 0.59 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 174.24 2hgq n ARG 59 N -1.23 -0.74 0.00 4.82 0.63 -1.26 -3.48 116.66 115.40 2hgq n ARG 59 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 2hgq n ARG 59 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2hgq n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgq n GLY 60 N -0.74 -0.48 0.00 5.14 0.00 -1.18 -4.89 105.19 103.05 2hgq n GLY 60 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2hgq n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hgq n THR 61 N 0.00 0.00 -3.04 2.61 5.66 -1.26 -4.29 114.28 113.96 2hgq n THR 61 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2hgq n THR 61 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 2hgq n THR 61 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2hgq n VAL 62 N -1.32 0.00 -3.67 1.08 3.14 -1.25 -5.01 118.33 111.30 2hgq n VAL 62 Ca 0.00 -0.69 -0.27 0.00 -2.96 0.00 0.00 64.34 60.42 2hgq n VAL 62 Cb 0.00 -0.81 -0.11 0.00 -1.06 0.00 0.00 33.84 31.87 2hgq n VAL 62 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2hgq n SER 63 N -2.73 2.25 -4.55 6.55 7.64 -1.26 -4.80 113.62 116.72 2hgq n SER 63 Ca 0.06 -3.05 -0.35 0.00 1.01 0.00 0.00 58.87 56.54 2hgq n SER 63 Cb 0.21 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2hgq n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hgq s LEU 64 N -1.31 3.26 0.35 -3.43 1.43 -1.26 -4.94 118.68 112.78 2hgq s LEU 64 Ca 0.30 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.31 2hgq s LEU 64 Cb 0.02 -2.53 -0.11 0.00 0.03 0.00 0.00 46.19 43.60 2hgq s LEU 64 CO -0.15 -2.55 1.39 -2.84 0.23 0.00 0.00 176.35 172.44 2hgq s PRO 65 N 7.21 4.24 0.00 1.29 0.02 -1.26 -4.58 135.00 141.92 2hgq s PRO 65 Ca 0.71 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2hgq s PRO 65 Cb -0.12 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2hgq s PRO 65 CO 0.16 -0.35 0.00 0.72 -0.33 0.00 0.00 177.00 177.20 2hgq n HIS 66 N 0.67 0.00 -0.35 6.54 8.25 -1.25 -4.96 115.22 124.11 2hgq n HIS 66 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2hgq n HIS 66 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2hgq n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgq n GLY 67 N 0.00 -0.83 3.34 -1.41 0.00 -1.01 -3.97 105.19 101.32 2hgq n GLY 67 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2hgq n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hgq s LEU 68 N 1.30 1.11 0.00 0.99 0.20 -0.91 -4.68 118.68 116.68 2hgq s LEU 68 Ca 0.16 -1.41 0.00 0.00 0.69 0.00 0.00 54.13 53.57 2hgq s LEU 68 Cb -0.16 0.88 0.00 0.00 -0.43 0.00 0.00 46.19 46.48 2hgq s LEU 68 CO 0.18 -1.03 0.00 0.61 -0.29 0.00 0.00 176.35 175.82 2hgq n GLY 69 N -0.42 0.19 3.27 7.98 0.00 -1.24 -4.70 105.19 110.26 2hgq n GLY 69 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 2hgq n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgq s LYS 70 N 0.00 1.12 0.00 1.61 0.00 -1.26 -5.10 119.74 116.12 2hgq s LYS 70 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 55.97 54.50 2hgq s LYS 70 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 37.83 37.07 2hgq s LYS 70 CO 0.00 0.11 0.00 0.94 0.00 0.00 0.00 175.35 176.40 2hgq n GLN 71 N -0.20 0.00 -0.57 1.78 -0.06 -1.26 -5.03 117.38 112.04 2hgq n GLN 71 Ca -0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 57.00 54.90 2hgq n GLN 71 Cb 0.60 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 2hgq n GLN 71 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2hgq n VAL 72 N 0.85 -0.05 -1.19 1.69 0.31 -1.26 -4.90 118.33 113.78 2hgq n VAL 72 Ca 0.00 0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.03 2hgq n VAL 72 Cb 0.00 -0.08 0.10 0.00 -0.91 0.00 0.00 33.84 32.96 2hgq n VAL 72 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2hgq s ARG 73 N -0.03 2.06 0.01 5.55 0.52 -1.26 -4.82 118.95 120.99 2hgq s ARG 73 Ca 0.00 1.20 -0.06 0.00 -0.52 0.00 0.00 55.73 56.36 2hgq s ARG 73 Cb -0.00 -1.87 -0.00 0.00 0.52 0.00 0.00 34.95 33.59 2hgq s ARG 73 CO 0.00 -1.79 0.10 0.08 0.02 0.00 0.00 175.30 173.71 2hgq s VAL 74 N -2.87 0.09 -0.27 3.52 1.01 -1.25 -1.18 120.40 119.44 2hgq s VAL 74 Ca 0.62 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2hgq s VAL 74 Cb -0.18 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2hgq s VAL 74 CO 0.56 -0.41 0.12 -0.22 0.00 0.00 0.00 175.10 175.15 2hgq s LEU 75 N -1.42 3.74 -0.64 3.92 2.96 -0.33 -1.25 118.68 125.66 2hgq s LEU 75 Ca -0.15 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.34 2hgq s LEU 75 Cb -0.08 -2.00 0.09 0.00 0.50 0.00 0.00 46.19 44.70 2hgq s LEU 75 CO 0.01 -0.07 0.87 0.00 -1.32 0.00 0.00 176.35 175.84 2hgq s ALA 76 N 1.66 3.24 -0.33 5.97 0.00 0.14 -0.94 121.76 131.50 2hgq s ALA 76 Ca 0.06 -2.03 -0.11 0.00 0.00 0.00 0.00 51.96 49.88 2hgq s ALA 76 Cb -0.16 -3.74 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2hgq s ALA 76 CO 0.06 -2.62 0.20 0.42 0.00 0.00 0.00 175.76 173.83 2hgq s ILE 77 N 3.47 4.91 0.00 0.00 1.01 -0.25 -1.22 121.20 129.13 2hgq s ILE 77 Ca 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.44 2hgq s ILE 77 Cb -0.19 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2hgq s ILE 77 CO 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.00 2hgq n ALA 78 N 5.04 0.00 -3.77 9.38 0.00 -0.19 -1.09 120.51 129.88 2hgq n ALA 78 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2hgq n ALA 78 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 2hgq n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgq n LYS 79 N 0.00 0.39 0.00 0.00 5.02 -1.26 -4.10 118.16 118.21 2hgq n LYS 79 Ca 0.00 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 2hgq n LYS 79 Cb 0.00 1.85 0.00 0.00 -0.02 0.00 0.00 35.03 36.86 2hgq n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgq n GLY 80 N -0.41 0.00 0.36 0.72 0.00 -1.26 -0.94 105.19 103.66 2hgq n GLY 80 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2hgq n GLY 80 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hgq h GLU 81 N 0.00 0.67 -0.29 1.61 -0.00 -1.99 -0.46 114.58 114.11 2hgq h GLU 81 Ca 0.00 -0.04 -0.12 0.00 -0.00 0.00 0.00 59.36 59.20 2hgq h GLU 81 Cb 0.00 -0.15 -0.00 0.00 -0.00 0.00 0.00 28.75 28.60 2hgq h GLU 81 CO 0.00 0.44 -0.29 0.87 -0.00 0.00 0.00 179.01 180.03 2hgq h LYS 82 N 0.69 0.72 -0.46 1.06 1.79 -1.82 -0.30 116.57 118.24 2hgq h LYS 82 Ca 0.37 -0.38 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2hgq h LYS 82 Cb 0.51 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.11 2hgq h LYS 82 CO -0.14 0.99 0.12 0.82 -1.08 0.00 0.00 179.45 180.16 2hgq h ILE 83 N 0.46 0.79 0.00 1.86 2.04 -0.19 -0.71 117.51 121.76 2hgq h ILE 83 Ca 0.05 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2hgq h ILE 83 Cb 0.86 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2hgq h ILE 83 CO 0.07 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.56 2hgq n LYS 84 N -5.07 0.00 -0.04 2.37 4.76 -0.26 -1.02 118.16 118.90 2hgq n LYS 84 Ca 0.04 0.63 -0.14 0.00 -2.87 0.00 0.00 58.31 55.98 2hgq n LYS 84 Cb 0.21 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.01 2hgq n LYS 84 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2hgq h GLU 85 N 0.00 -0.51 -0.22 1.97 5.08 -0.89 -1.32 114.58 118.69 2hgq h GLU 85 Ca 0.00 0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 2hgq h GLU 85 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2hgq h GLU 85 CO 0.00 -0.34 -0.49 0.00 -1.00 0.00 0.00 179.01 177.18 2hgq h ALA 86 N -0.14 0.35 0.19 3.43 0.00 -1.21 0.18 119.26 122.06 2hgq h ALA 86 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2hgq h ALA 86 Cb 0.66 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2hgq h ALA 86 CO -0.47 0.53 -0.45 1.49 0.00 0.00 0.00 179.25 180.35 2hgq h GLU 87 N 0.44 -0.67 -0.70 0.00 4.81 -1.06 -1.07 114.58 116.33 2hgq h GLU 87 Ca 0.00 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2hgq h GLU 87 Cb 1.10 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 2hgq h GLU 87 CO 0.11 -0.45 0.40 1.49 -0.73 0.00 0.00 179.01 179.83 2hgq h GLU 88 N -0.70 0.73 -0.82 1.92 4.57 -1.24 -0.96 114.58 118.08 2hgq h GLU 88 Ca -0.02 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 2hgq h GLU 88 Cb 0.67 -0.16 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 2hgq h GLU 88 CO -0.19 0.48 -0.52 0.00 -1.18 0.00 0.00 179.01 177.60 2hgq h ALA 89 N 1.35 -0.52 0.00 2.92 0.00 -0.38 -3.44 119.26 119.19 2hgq h ALA 89 Ca 0.31 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2hgq h ALA 89 Cb 0.16 1.30 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2hgq h ALA 89 CO -0.17 -0.88 0.00 0.41 0.00 0.00 0.00 179.25 178.61 2hgq n GLY 90 N -1.24 -0.29 3.84 0.00 0.00 -0.46 -4.05 105.19 102.99 2hgq n GLY 90 Ca 0.01 0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2hgq n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq s ALA 91 N 0.00 3.66 -0.18 4.61 0.00 -0.41 -3.75 121.76 125.69 2hgq s ALA 91 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 2hgq s ALA 91 Cb 0.00 -2.45 -0.22 0.00 0.00 0.00 0.00 23.12 20.45 2hgq s ALA 91 CO 0.00 0.47 0.16 -3.47 0.00 0.00 0.00 175.76 172.92 2hgq n ASP 92 N 1.55 2.04 -4.13 0.00 2.03 -1.25 -4.87 116.55 111.91 2hgq n ASP 92 Ca -0.11 0.17 -0.30 0.00 0.52 0.00 0.00 54.79 55.07 2hgq n ASP 92 Cb 0.52 -0.78 -0.17 0.00 -0.72 0.00 0.00 41.12 39.98 2hgq n ASP 92 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2hgq s TYR 93 N -2.52 2.33 -0.01 -0.67 2.02 -0.38 -4.98 117.35 113.14 2hgq s TYR 93 Ca -0.27 -1.08 0.01 0.00 -0.37 0.00 0.00 57.07 55.35 2hgq s TYR 93 Cb 0.08 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2hgq s TYR 93 CO 0.68 -0.50 -0.03 0.08 -1.57 0.00 0.00 175.55 174.21 2hgq s VAL 94 N 0.75 0.30 0.00 0.71 1.01 -1.26 -0.68 120.40 121.22 2hgq s VAL 94 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2hgq s VAL 94 Cb -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2hgq s VAL 94 CO 0.01 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2hgq n GLY 95 N 3.16 -0.69 0.00 4.51 0.00 -0.35 -4.96 105.19 106.86 2hgq n GLY 95 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2hgq n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 96 N 0.00 4.23 0.01 -0.02 0.00 -1.26 -1.03 105.19 107.13 2hgq n GLY 96 Ca 0.00 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.74 2hgq n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgq n GLU 97 N 0.00 0.02 0.01 1.61 1.02 -1.26 -1.09 120.64 120.96 2hgq n GLU 97 Ca 0.00 0.17 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 2hgq n GLU 97 Cb 0.00 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 29.78 2hgq n GLU 97 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2hgq h GLU 98 N 0.00 0.50 -0.59 3.49 5.08 -1.93 -0.19 114.58 120.95 2hgq h GLU 98 Ca 0.00 -0.52 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 2hgq h GLU 98 Cb 0.37 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2hgq h GLU 98 CO 0.00 1.16 0.15 0.82 -1.00 0.00 0.00 179.01 180.14 2hgq h ILE 99 N 0.06 1.25 -0.23 3.13 2.04 -1.68 -0.33 117.51 121.75 2hgq h ILE 99 Ca -0.08 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 64.94 2hgq h ILE 99 Cb 1.40 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2hgq h ILE 99 CO 0.14 0.34 -0.25 0.40 0.00 0.00 0.00 178.15 178.78 2hgq h ILE 100 N 0.86 0.39 -0.18 -0.67 2.04 -1.00 -0.29 117.51 118.65 2hgq h ILE 100 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 2hgq h ILE 100 Cb 0.35 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2hgq h ILE 100 CO 0.00 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.53 2hgq h GLN 101 N -0.26 0.04 -0.77 2.37 -0.00 -0.73 -0.33 115.11 115.43 2hgq h GLN 101 Ca 0.13 -0.00 0.14 0.00 -0.00 0.00 0.00 58.65 58.92 2hgq h GLN 101 Cb 0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.84 2hgq h GLN 101 CO -0.38 0.03 0.32 0.87 0.00 0.00 0.00 178.83 179.66 2hgq h LYS 102 N 0.04 0.45 0.03 1.69 1.79 -0.57 -0.39 116.57 119.61 2hgq h LYS 102 Ca 0.08 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2hgq h LYS 102 Cb 0.11 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2hgq h LYS 102 CO -0.15 0.30 -0.01 0.82 -1.08 0.00 0.00 179.45 179.32 2hgq h ILE 103 N 0.46 1.08 -0.96 1.86 2.04 -0.65 0.03 117.51 121.37 2hgq h ILE 103 Ca 0.42 -0.33 0.22 0.00 1.00 0.00 0.00 64.86 66.18 2hgq h ILE 103 Cb 0.64 1.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.90 2hgq h ILE 103 CO -0.40 0.08 0.52 -0.07 0.00 0.00 0.00 178.15 178.28 2hgq h LEU 104 N -0.18 0.57 0.00 1.44 -0.00 -0.40 -3.05 115.31 113.69 2hgq h LEU 104 Ca -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2hgq h LEU 104 Cb 0.17 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2hgq h LEU 104 CO 0.01 0.10 0.00 0.47 -0.00 0.00 0.00 178.44 179.02 2hgq n ASP 105 N -4.92 0.00 -0.92 -0.43 8.00 -0.22 -4.94 116.55 113.13 2hgq n ASP 105 Ca 0.24 0.63 -0.02 0.00 0.71 0.00 0.00 54.79 56.35 2hgq n ASP 105 Cb 0.68 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2hgq n ASP 105 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hgq n GLY 106 N -0.12 -0.12 2.80 0.44 0.00 -0.04 -5.10 105.19 103.04 2hgq n GLY 106 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2hgq n GLY 106 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2hgq s TRP 107 N 0.01 1.40 -0.25 1.61 -0.00 -1.00 -4.98 118.94 115.74 2hgq s TRP 107 Ca 0.01 -1.06 -0.02 0.00 -0.00 0.00 0.00 56.10 55.02 2hgq s TRP 107 Cb 0.03 -1.18 0.11 0.00 -0.00 0.00 0.00 33.47 32.44 2hgq s TRP 107 CO -0.01 -0.64 0.25 1.41 -0.00 0.00 0.00 176.95 177.97 2hgq s MET 108 N 1.73 0.25 -0.08 5.86 1.75 -1.26 -3.18 119.30 124.37 2hgq s MET 108 Ca -0.02 0.02 0.12 0.00 -1.25 0.00 0.00 55.69 54.56 2hgq s MET 108 Cb -0.17 -0.94 0.18 0.00 2.84 0.00 0.00 34.83 36.74 2hgq s MET 108 CO -0.07 -0.84 1.07 -0.25 -0.65 0.00 0.00 175.02 174.28 2hgq n ASP 109 N 5.31 1.88 -4.01 1.11 8.00 -1.26 -5.03 116.55 122.55 2hgq n ASP 109 Ca -0.04 -2.63 -0.28 0.00 0.71 0.00 0.00 54.79 52.55 2hgq n ASP 109 Cb 0.48 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.12 2hgq n ASP 109 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2hgq s PHE 110 N -2.00 1.80 0.01 1.24 -0.12 -1.26 -4.83 117.98 112.82 2hgq s PHE 110 Ca 0.20 -0.87 -0.25 0.00 -0.05 0.00 0.00 56.93 55.96 2hgq s PHE 110 Cb 0.17 -1.35 -0.16 0.00 -0.63 0.00 0.00 43.02 41.05 2hgq s PHE 110 CO 0.02 -0.49 1.22 0.22 -0.05 0.00 0.00 175.22 176.14 2hgq h ASP 111 N 7.64 -0.35 -3.18 1.98 1.82 -1.73 -3.44 116.42 119.15 2hgq h ASP 111 Ca -0.32 -0.18 -0.66 0.00 -0.39 0.00 0.00 57.03 55.49 2hgq h ASP 111 Cb 1.16 0.09 -0.14 0.00 0.68 0.00 0.00 39.33 41.12 2hgq h ASP 111 CO 0.47 0.02 -0.58 0.00 -1.61 0.00 0.00 179.24 177.54 2hgq s ALA 112 N -4.79 3.40 -0.16 -0.78 0.00 -0.33 -3.70 121.76 115.41 2hgq s ALA 112 Ca -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2hgq s ALA 112 Cb 0.02 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2hgq s ALA 112 CO 0.54 0.46 -0.06 0.08 0.00 0.00 0.00 175.76 176.78 2hgq s VAL 113 N -0.50 3.60 -0.20 0.00 1.01 -1.26 -1.19 120.40 121.86 2hgq s VAL 113 Ca 0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2hgq s VAL 113 Cb -0.12 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.74 2hgq s VAL 113 CO 0.02 0.49 -0.08 0.68 0.00 0.00 0.00 175.10 176.21 2hgq s VAL 114 N 0.51 1.51 0.08 2.92 -7.23 -0.11 -4.23 120.40 113.85 2hgq s VAL 114 Ca -0.05 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.22 2hgq s VAL 114 Cb -0.15 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2hgq s VAL 114 CO 0.03 0.10 -0.20 0.00 -0.31 0.00 0.00 175.10 174.72 2hgq s ALA 115 N 1.44 1.71 0.51 1.32 0.00 -0.18 -1.09 121.76 125.47 2hgq s ALA 115 Ca -0.02 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 2hgq s ALA 115 Cb -0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2hgq s ALA 115 CO -0.08 0.35 0.91 0.95 0.00 0.00 0.00 175.76 177.89 2hgq s THR 116 N -1.02 4.71 -1.64 0.00 -4.23 -0.25 -1.14 115.64 112.07 2hgq s THR 116 Ca 0.06 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 2hgq s THR 116 Cb -0.09 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2hgq s THR 116 CO 0.03 -0.79 0.00 -2.65 -0.54 0.00 0.00 174.62 170.67 2hgq n PRO 117 N -1.93 0.00 -0.01 3.99 -0.02 -1.23 -2.39 135.00 133.41 2hgq n PRO 117 Ca 0.04 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.62 2hgq n PRO 117 Cb 0.54 -0.99 -0.15 0.00 -0.02 0.00 0.00 33.50 32.88 2hgq n PRO 117 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2hgq n ASP 118 N -0.26 0.44 -0.17 2.55 5.68 -1.26 -4.43 116.55 119.10 2hgq n ASP 118 Ca 0.00 -0.06 0.01 0.00 -0.50 0.00 0.00 54.79 54.24 2hgq n ASP 118 Cb 0.00 1.86 0.02 0.00 -1.14 0.00 0.00 41.12 41.86 2hgq n ASP 118 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2hgq n VAL 119 N -2.15 0.41 -0.08 2.12 0.24 -1.01 -4.84 118.33 113.03 2hgq n VAL 119 Ca -0.03 -0.45 -0.00 0.00 -2.04 0.00 0.00 64.34 61.81 2hgq n VAL 119 Cb 0.51 0.60 0.27 0.00 -1.47 0.00 0.00 33.84 33.75 2hgq n VAL 119 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2hgq h MET 120 N 0.00 0.70 -0.01 7.34 2.86 -1.69 -0.22 114.93 123.91 2hgq h MET 120 Ca 0.00 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2hgq h MET 120 Cb 1.05 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 2hgq h MET 120 CO 0.00 0.61 0.00 0.78 1.06 0.00 0.00 176.91 179.36 2hgq h GLY 121 N 0.87 0.02 0.99 8.32 0.00 -1.88 -0.20 103.07 111.18 2hgq h GLY 121 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2hgq h GLY 121 CO -0.01 0.01 0.11 0.00 0.00 0.00 0.00 176.54 176.65 2hgq h ALA 122 N 0.78 0.23 0.14 3.60 0.00 -1.90 -0.86 119.26 121.24 2hgq h ALA 122 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hgq h ALA 122 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2hgq h ALA 122 CO 0.00 -0.28 -0.25 0.28 0.00 0.00 0.00 179.25 179.00 2hgq h VAL 123 N 0.23 0.00 -0.69 0.00 2.07 -0.92 0.00 116.25 116.93 2hgq h VAL 123 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2hgq h VAL 123 Cb -0.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.73 2hgq h VAL 123 CO -0.01 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.20 2hgq h GLY 124 N -0.41 1.02 0.63 2.17 0.00 -1.02 -0.19 103.07 105.26 2hgq h GLY 124 Ca -0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 47.33 46.54 2hgq h GLY 124 CO -0.09 0.42 -1.98 -1.26 0.00 0.00 0.00 176.54 173.63 2hgq n SER 125 N -4.38 1.40 -0.01 0.19 2.88 -0.33 -1.39 113.62 111.98 2hgq n SER 125 Ca 0.07 0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.68 2hgq n SER 125 Cb 0.09 -0.31 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 2hgq n SER 125 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2hgq h LYS 126 N 0.03 0.19 -0.03 -1.46 1.57 -1.06 -3.28 116.57 112.53 2hgq h LYS 126 Ca -0.40 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 2hgq h LYS 126 Cb 2.04 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.43 2hgq h LYS 126 CO 0.06 1.03 0.00 1.28 -0.57 0.00 0.00 179.45 181.25 2hgq n LEU 127 N -4.41 2.56 0.27 2.94 4.77 -0.10 -4.27 117.00 118.75 2hgq n LEU 127 Ca -0.11 -0.86 -0.16 0.00 -0.03 0.00 0.00 56.01 54.85 2hgq n LEU 127 Cb 0.59 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2hgq n LEU 127 CO 0.41 0.43 0.71 1.23 -1.33 0.00 0.00 177.39 178.84 2hgq h GLY 128 N 4.75 -0.66 1.71 -0.72 0.00 -1.06 0.03 103.07 107.12 2hgq h GLY 128 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.58 2hgq h GLY 128 CO 0.00 -0.24 0.14 3.21 0.00 0.00 0.00 176.54 179.65 2hgq h ARG 129 N -0.64 0.00 0.00 4.80 3.08 -1.74 -0.96 114.38 118.91 2hgq h ARG 129 Ca -0.07 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.69 2hgq h ARG 129 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 2hgq h ARG 129 CO 0.11 0.00 -1.83 -0.89 -1.07 0.00 0.00 179.97 176.29 2hgq n ILE 130 N -3.15 1.52 0.01 2.04 -0.00 -0.89 -4.50 119.36 114.38 2hgq n ILE 130 Ca -0.02 -0.16 -0.07 0.00 -0.00 0.00 0.00 62.75 62.50 2hgq n ILE 130 Cb 0.21 -2.04 0.11 0.00 -0.00 0.00 0.00 39.64 37.91 2hgq n ILE 130 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2hgq h LEU 131 N -1.00 0.55 0.00 1.39 3.38 -1.04 -3.47 115.31 115.12 2hgq h LEU 131 Ca -0.44 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2hgq h LEU 131 Cb 1.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2hgq h LEU 131 CO -0.27 0.91 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2hgq n GLY 132 N 0.02 0.08 1.66 0.83 0.00 -0.37 -1.92 105.19 105.49 2hgq n GLY 132 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2hgq n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgq n PRO 133 N 0.51 0.42 -0.08 1.61 -0.04 -1.26 -2.34 135.00 133.82 2hgq n PRO 133 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2hgq n PRO 133 Cb 0.00 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.03 2hgq n PRO 133 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgq n ARG 134 N 1.63 1.03 0.00 0.54 1.74 -0.81 -4.99 116.66 115.80 2hgq n ARG 134 Ca 0.00 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2hgq n ARG 134 Cb 0.21 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2hgq n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgq n GLY 135 N 1.84 0.97 0.74 -0.13 0.00 -0.99 -5.00 105.19 102.61 2hgq n GLY 135 Ca -0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.88 2hgq n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgq n LEU 136 N 0.00 2.22 -4.76 0.99 4.77 -1.23 -4.56 117.00 114.43 2hgq n LEU 136 Ca 0.00 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.72 2hgq n LEU 136 Cb 0.00 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2hgq n LEU 136 CO 0.00 0.45 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.04 2hgq s LEU 137 N -1.61 3.90 0.22 2.23 0.20 -1.26 -4.19 118.68 118.17 2hgq s LEU 137 Ca 0.34 0.26 -0.30 0.00 0.69 0.00 0.00 54.13 55.12 2hgq s LEU 137 Cb 0.19 -1.94 -0.10 0.00 -0.43 0.00 0.00 46.19 43.91 2hgq s LEU 137 CO 0.28 0.38 1.43 -2.84 -0.29 0.00 0.00 176.35 175.31 2hgq s PRO 138 N -1.00 4.29 -0.07 0.98 0.02 -1.26 -4.78 135.00 133.17 2hgq s PRO 138 Ca 0.15 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 2hgq s PRO 138 Cb -0.12 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.29 2hgq s PRO 138 CO 0.04 -0.41 -0.02 1.21 -0.33 0.00 0.00 177.00 177.49 2hgq s ASN 139 N 0.48 1.60 0.00 2.53 3.84 -1.26 -4.88 114.94 117.25 2hgq s ASN 139 Ca 0.60 -0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.54 2hgq s ASN 139 Cb -0.41 -0.51 0.00 0.00 -0.55 0.00 0.00 41.25 39.78 2hgq s ASN 139 CO 0.40 -0.16 0.32 -0.81 -2.79 0.00 0.00 177.10 174.06 2hgq n PRO 140 N 4.94 0.00 -2.70 0.43 -0.04 -1.26 -0.91 135.00 135.46 2hgq n PRO 140 Ca -0.11 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 2hgq n PRO 140 Cb 0.50 -1.73 0.11 0.00 -0.04 0.00 0.00 33.50 32.34 2hgq n PRO 140 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2hgq n LYS 141 N -0.82 1.34 -2.40 0.54 2.85 -1.26 -4.86 118.16 113.56 2hgq n LYS 141 Ca 0.00 -1.88 -0.00 0.00 -1.05 0.00 0.00 58.31 55.38 2hgq n LYS 141 Cb 0.23 -0.13 0.04 0.00 -0.65 0.00 0.00 35.03 34.52 2hgq n LYS 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hgq n ALA 142 N -1.00 2.69 -4.01 0.58 0.00 -0.09 -4.97 120.51 113.71 2hgq n ALA 142 Ca -0.08 -2.72 -0.32 0.00 0.00 0.00 0.00 53.44 50.32 2hgq n ALA 142 Cb 0.85 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 2hgq n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 143 N -0.33 -0.39 0.00 0.00 0.00 -1.26 -4.76 105.19 98.45 2hgq n GLY 143 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2hgq n GLY 143 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hgq n THR 144 N -4.14 0.00 -3.97 2.61 -2.24 -1.24 -4.82 114.28 100.47 2hgq n THR 144 Ca -0.18 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 2hgq n THR 144 Cb 0.51 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 69.15 2hgq n THR 144 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2hgq s VAL 145 N 0.00 0.20 0.00 2.28 1.01 -1.25 -1.01 120.40 121.63 2hgq s VAL 145 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2hgq s VAL 145 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2hgq s VAL 145 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2hgq n GLY 146 N 3.69 0.84 0.08 4.51 0.00 -0.29 -4.71 105.19 109.30 2hgq n GLY 146 Ca -0.21 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 2hgq n GLY 146 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2hgq h PHE 147 N 0.00 0.08 0.00 1.61 0.04 -1.91 -3.11 116.94 113.66 2hgq h PHE 147 Ca 0.00 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2hgq h PHE 147 Cb 0.00 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2hgq h PHE 147 CO 0.00 0.97 0.07 0.27 -0.60 0.00 0.00 178.31 179.03 2hgq n ASN 148 N -3.46 2.07 -0.31 2.17 6.94 -1.26 -4.29 115.26 117.11 2hgq n ASN 148 Ca -0.01 -1.70 0.06 0.00 -0.02 0.00 0.00 54.58 52.90 2hgq n ASN 148 Cb 0.89 -0.49 0.26 0.00 -2.36 0.00 0.00 39.78 38.08 2hgq n ASN 148 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2hgq h ILE 149 N 2.08 0.99 -0.01 1.53 2.10 -1.92 -0.49 117.51 121.79 2hgq h ILE 149 Ca 0.03 -0.33 -0.00 0.00 1.08 0.00 0.00 64.86 65.64 2hgq h ILE 149 Cb 0.48 -0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.15 2hgq h ILE 149 CO 0.18 0.18 0.00 1.23 -1.08 0.00 0.00 178.15 178.66 2hgq h GLY 150 N 0.97 0.02 0.78 8.18 0.00 -1.78 -0.95 103.07 110.29 2hgq h GLY 150 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.76 2hgq h GLY 150 CO -0.19 0.01 -0.13 0.83 0.00 0.00 0.00 176.54 177.07 2hgq h GLU 151 N -0.26 -0.25 -0.22 4.80 5.08 -1.56 0.53 114.58 122.71 2hgq h GLU 151 Ca 0.00 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2hgq h GLU 151 Cb 0.28 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2hgq h GLU 151 CO 0.00 -0.16 -0.02 0.82 -1.00 0.00 0.00 179.01 178.65 2hgq h ILE 152 N -0.26 1.27 -0.31 3.13 2.04 -1.17 -1.01 117.51 121.20 2hgq h ILE 152 Ca 0.02 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2hgq h ILE 152 Cb 0.27 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2hgq h ILE 152 CO -0.07 0.29 -0.04 0.40 0.00 0.00 0.00 178.15 178.74 2hgq h ILE 153 N 0.14 1.20 0.13 -0.67 2.04 -1.16 -0.73 117.51 118.46 2hgq h ILE 153 Ca 0.06 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.11 2hgq h ILE 153 Cb 0.44 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2hgq h ILE 153 CO 0.02 0.28 -0.49 -0.09 0.00 0.00 0.00 178.15 177.86 2hgq h ARG 154 N 0.47 -0.69 -0.55 2.37 2.43 -0.60 0.74 114.38 118.55 2hgq h ARG 154 Ca 0.10 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2hgq h ARG 154 Cb 0.36 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2hgq h ARG 154 CO 0.01 -0.46 0.36 1.49 -1.51 0.00 0.00 179.97 179.87 2hgq h GLU 155 N -0.71 0.59 -0.91 0.20 4.57 -0.86 0.45 114.58 117.91 2hgq h GLU 155 Ca -0.01 -0.04 0.21 0.00 -1.18 0.00 0.00 59.36 58.35 2hgq h GLU 155 Cb 0.71 -0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 29.05 2hgq h GLU 155 CO -0.26 0.39 0.43 0.82 -1.18 0.00 0.00 179.01 179.22 2hgq h ILE 156 N 0.61 0.52 0.21 2.32 2.04 0.63 0.51 117.51 124.35 2hgq h ILE 156 Ca 0.22 -0.16 -0.33 0.00 1.00 0.00 0.00 64.86 65.59 2hgq h ILE 156 Cb 0.12 0.02 0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2hgq h ILE 156 CO -0.06 0.08 -1.56 0.50 0.00 0.00 0.00 178.15 177.12 2hgq h LYS 157 N 0.46 0.44 0.00 2.37 3.64 0.32 -3.40 116.57 120.40 2hgq h LYS 157 Ca 0.56 -0.75 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2hgq h LYS 157 Cb 1.03 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 2hgq h LYS 157 CO -0.50 1.35 -0.18 0.00 -2.27 0.00 0.00 179.45 177.85 2hgq h ALA 158 N 0.22 0.89 0.00 5.00 0.00 -0.81 -2.43 119.26 122.14 2hgq h ALA 158 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2hgq h ALA 158 Cb 2.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2hgq h ALA 158 CO 0.23 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2hgq n GLY 159 N 1.14 2.72 0.00 0.00 0.00 0.15 -2.40 105.19 106.79 2hgq n GLY 159 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2hgq n GLY 159 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 160 N 0.00 0.00 -2.11 1.61 0.00 -1.07 -4.38 116.66 110.71 2hgq n ARG 160 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hgq n ARG 160 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2hgq n ARG 160 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2hgq n ILE 161 N -0.89-12.46 -3.55 5.15 -6.64 -1.26 -4.39 119.36 95.32 2hgq n ILE 161 Ca 0.00 3.13 0.00 0.00 -1.77 0.00 0.00 62.75 64.11 2hgq n ILE 161 Cb 0.00 -5.21 0.00 0.00 -1.44 0.00 0.00 39.64 32.99 2hgq n ILE 161 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 2hgq n GLU 162 N 1.93 1.61 -4.14 6.28 2.13 -1.26 -3.96 120.64 123.24 2hgq n GLU 162 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2hgq n GLU 162 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 2hgq n GLU 162 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2hgq s PHE 163 N -0.10 0.92 0.00 4.31 2.99 -1.26 -4.72 117.98 120.11 2hgq s PHE 163 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 56.93 56.30 2hgq s PHE 163 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 43.02 42.50 2hgq s PHE 163 CO 0.00 -0.05 0.00 -2.13 -0.00 0.00 0.00 175.22 173.04 2hgq n ARG 164 N 0.83 0.00 -1.68 0.44 0.00 -1.26 -3.08 116.66 111.92 2hgq n ARG 164 Ca -0.18 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.22 2hgq n ARG 164 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 33.00 2hgq n ARG 164 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2hgq n ASN 165 N 0.00 2.89 -4.85 6.15 6.94 -1.23 -4.64 115.26 120.52 2hgq n ASN 165 Ca 0.00 1.14 -0.23 0.00 -0.02 0.00 0.00 54.58 55.47 2hgq n ASN 165 Cb 0.00 -1.45 0.07 0.00 -2.36 0.00 0.00 39.78 36.04 2hgq n ASN 165 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 2hgq s ASP 166 N 0.34 4.81 0.00 0.53 -4.77 0.10 -4.80 116.67 112.88 2hgq s ASP 166 Ca 0.68 0.03 -0.00 0.00 -3.30 0.00 0.00 52.55 49.96 2hgq s ASP 166 Cb -0.63 -0.68 0.00 0.00 -1.09 0.00 0.00 42.92 40.52 2hgq s ASP 166 CO 0.49 -1.53 0.02 2.29 0.70 0.00 0.00 175.17 177.14 2hgq n LYS 167 N -2.69 -0.00 -0.20 2.11 2.85 -1.26 -0.74 118.16 118.22 2hgq n LYS 167 Ca 0.10 0.02 0.06 0.00 -1.05 0.00 0.00 58.31 57.45 2hgq n LYS 167 Cb 0.60 -0.03 0.17 0.00 -0.65 0.00 0.00 35.03 35.12 2hgq n LYS 167 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2hgq n THR 168 N -4.02 0.52 -0.83 0.58 -2.24 -1.26 -4.62 114.28 102.40 2hgq n THR 168 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2hgq n THR 168 Cb 0.00 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2hgq n THR 168 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgq n GLY 169 N 1.11 0.49 3.14 3.38 0.00 0.08 -4.90 105.19 108.47 2hgq n GLY 169 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2hgq n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq s ALA 170 N -1.86 -0.12 0.25 4.61 0.00 -1.25 -0.94 121.76 122.44 2hgq s ALA 170 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2hgq s ALA 170 Cb 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2hgq s ALA 170 CO 0.00 -0.34 -0.05 -1.50 0.00 0.00 0.00 175.76 173.87 2hgq s ILE 171 N -2.73 1.41 -0.03 0.00 2.07 -0.04 0.00 121.20 121.88 2hgq s ILE 171 Ca -0.04 -2.10 -0.05 0.00 -1.41 0.00 0.00 60.65 57.06 2hgq s ILE 171 Cb -0.00 -2.33 0.01 0.00 0.13 0.00 0.00 42.46 40.26 2hgq s ILE 171 CO -0.05 -0.37 0.12 -1.38 -1.91 0.00 0.00 174.94 171.35 2hgq s HIS 172 N -3.17 -0.07 -0.16 3.50 -3.43 -1.26 -1.24 115.29 109.45 2hgq s HIS 172 Ca 0.28 0.18 -0.31 0.00 -0.80 0.00 0.00 55.06 54.40 2hgq s HIS 172 Cb 0.04 0.01 0.14 0.00 -1.43 0.00 0.00 32.58 31.34 2hgq s HIS 172 CO 0.09 -0.12 1.10 0.00 -2.00 0.00 0.00 174.74 173.81 2hgq s ALA 173 N -0.33 -1.98 -0.23 -1.38 0.00 -0.32 -4.76 121.76 112.76 2hgq s ALA 173 Ca -0.04 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 2hgq s ALA 173 Cb -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2hgq s ALA 173 CO 0.00 -0.44 0.93 -1.25 0.00 0.00 0.00 175.76 175.00 2hgq s PRO 174 N -1.82 4.23 -0.21 0.00 0.04 -1.26 -1.09 135.00 134.89 2hgq s PRO 174 Ca 0.04 1.16 0.17 0.00 0.04 0.00 0.00 61.00 62.41 2hgq s PRO 174 Cb -0.01 -3.64 0.47 0.00 0.04 0.00 0.00 34.50 31.36 2hgq s PRO 174 CO -0.04 -0.55 1.16 1.33 0.04 0.00 0.00 177.00 178.94 2hgq n VAL 175 N 5.24 1.55 0.00 -0.36 0.24 -1.26 -4.89 118.33 118.85 2hgq n VAL 175 Ca 0.09 -2.99 0.00 0.00 -2.04 0.00 0.00 64.34 59.40 2hgq n VAL 175 Cb 0.47 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2hgq n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hgq n GLY 176 N -0.50 4.33 3.92 7.63 0.00 -1.26 -2.42 105.19 116.89 2hgq n GLY 176 Ca 0.20 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2hgq n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 177 N -2.94 1.15 0.00 1.61 1.02 -1.26 -4.64 119.74 114.69 2hgq s LYS 177 Ca 0.00 -0.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 2hgq s LYS 177 Cb 0.00 -1.90 -0.07 0.00 -0.52 0.00 0.00 37.83 35.34 2hgq s LYS 177 CO 0.00 -2.08 0.88 0.00 -0.92 0.00 0.00 175.35 173.22 2hgq h ALA 178 N -1.39 -0.81 -0.00 5.17 0.00 -1.86 -3.22 119.26 117.14 2hgq h ALA 178 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2hgq h ALA 178 Cb 1.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2hgq h ALA 178 CO 0.48 -0.78 -0.02 -1.13 0.00 0.00 0.00 179.25 177.80 2hgq n SER 179 N -3.64 0.19 -4.76 0.00 3.41 -1.26 -4.28 113.62 103.29 2hgq n SER 179 Ca -0.06 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.37 2hgq n SER 179 Cb 0.18 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 2hgq n SER 179 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2hgq s PHE 180 N -2.21 2.86 0.10 7.33 5.36 -1.22 -4.84 117.98 125.36 2hgq s PHE 180 Ca 0.40 1.03 -0.30 0.00 -0.96 0.00 0.00 56.93 57.09 2hgq s PHE 180 Cb 0.21 -3.92 -0.17 0.00 -0.34 0.00 0.00 43.02 38.81 2hgq s PHE 180 CO 0.40 -2.91 0.69 -2.30 -1.46 0.00 0.00 175.22 169.65 2hgq n PRO 181 N 1.73 0.00 0.16 10.12 -0.02 -1.26 -4.65 135.00 141.07 2hgq n PRO 181 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 2hgq n PRO 181 Cb 0.39 -1.11 -0.07 0.00 -0.02 0.00 0.00 33.50 32.69 2hgq n PRO 181 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2hgq h PRO 182 N 1.71 -0.41 -1.00 0.52 0.13 -1.89 -0.58 132.00 130.48 2hgq h PRO 182 Ca -0.35 0.03 0.19 0.00 -0.87 0.00 0.00 66.00 65.01 2hgq h PRO 182 Cb 1.31 0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.42 2hgq h PRO 182 CO 0.55 -0.27 0.61 0.93 -0.23 0.00 0.00 178.00 179.59 2hgq h GLU 183 N -0.43 0.72 0.48 0.86 3.07 -1.89 -0.31 114.58 117.07 2hgq h GLU 183 Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2hgq h GLU 183 Cb 0.38 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2hgq h GLU 183 CO -0.01 0.47 -0.25 0.87 -1.40 0.00 0.00 179.01 178.68 2hgq h LYS 184 N 0.74 -0.65 -0.99 2.33 1.57 -1.65 0.10 116.57 118.02 2hgq h LYS 184 Ca 0.58 0.04 0.35 0.00 -1.87 0.00 0.00 60.65 59.75 2hgq h LYS 184 Cb 0.94 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 33.23 2hgq h LYS 184 CO -0.38 -0.43 0.52 -0.07 -0.57 0.00 0.00 179.45 178.52 2hgq h LEU 185 N -0.67 0.39 0.42 2.94 3.38 -0.51 0.40 115.31 121.64 2hgq h LEU 185 Ca -0.06 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2hgq h LEU 185 Cb 0.53 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2hgq h LEU 185 CO 0.09 -0.25 -0.40 0.00 0.09 0.00 0.00 178.44 177.97 2hgq h ALA 186 N 1.90 -1.08 -0.69 1.53 0.00 -0.27 -0.24 119.26 120.41 2hgq h ALA 186 Ca 0.76 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.66 2hgq h ALA 186 Cb 1.82 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 20.12 2hgq h ALA 186 CO -0.67 -1.10 0.08 0.22 0.00 0.00 0.00 179.25 177.77 2hgq h ASP 187 N -0.81 -0.17 -0.26 0.00 -0.00 0.17 0.51 116.42 115.86 2hgq h ASP 187 Ca -0.05 0.16 -0.08 0.00 -0.00 0.00 0.00 57.03 57.05 2hgq h ASP 187 Cb 0.70 0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 40.28 2hgq h ASP 187 CO -0.04 -0.10 -0.16 -1.13 -0.00 0.00 0.00 179.24 177.81 2hgq h ASN 188 N 0.18 0.60 -0.66 2.28 -1.24 -1.10 -0.12 115.58 115.52 2hgq h ASN 188 Ca 0.38 -0.43 0.12 0.00 0.71 0.00 0.00 56.30 57.08 2hgq h ASN 188 Cb 0.64 -0.17 -0.12 0.00 0.73 0.00 0.00 38.32 39.40 2hgq h ASN 188 CO -0.55 0.90 -0.30 0.40 -1.29 0.00 0.00 177.43 176.59 2hgq h ILE 189 N 0.31 0.18 0.04 2.57 2.04 -0.27 -1.18 117.51 121.19 2hgq h ILE 189 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2hgq h ILE 189 Cb 0.69 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2hgq h ILE 189 CO 0.05 0.00 -0.14 0.03 0.00 0.00 0.00 178.15 178.09 2hgq h ARG 190 N -0.11 -0.19 -1.06 2.37 3.08 -0.13 0.03 114.38 118.36 2hgq h ARG 190 Ca 0.27 0.01 0.42 0.00 0.07 0.00 0.00 59.98 60.75 2hgq h ARG 190 Cb 0.55 0.04 -0.17 0.00 0.08 0.00 0.00 29.97 30.48 2hgq h ARG 190 CO -0.72 -0.13 0.60 0.00 -1.07 0.00 0.00 179.97 178.65 2hgq h ALA 191 N -1.32 2.26 -0.17 0.04 0.00 -0.50 3.58 119.26 123.15 2hgq h ALA 191 Ca -0.00 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2hgq h ALA 191 Cb 0.20 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2hgq h ALA 191 CO -0.07 -1.01 -0.01 0.35 0.00 0.00 0.00 179.25 178.52 2hgq h PHE 192 N 0.04 0.34 -0.84 0.00 3.57 -0.75 -0.98 116.94 118.32 2hgq h PHE 192 Ca 0.84 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 62.39 2hgq h PHE 192 Cb 2.27 -0.09 -0.13 0.00 2.79 0.00 0.00 35.95 40.80 2hgq h PHE 192 CO -0.01 0.53 -0.48 0.82 -2.23 0.00 0.00 178.31 176.94 2hgq h ILE 193 N 0.05 0.03 0.12 1.41 2.04 0.86 -0.35 117.51 121.67 2hgq h ILE 193 Ca 0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2hgq h ILE 193 Cb 0.40 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2hgq h ILE 193 CO 0.01 0.00 -0.06 0.03 0.00 0.00 0.00 178.15 178.13 2hgq h ARG 194 N -0.09 -0.15 -0.96 2.37 2.47 -0.86 0.03 114.38 117.18 2hgq h ARG 194 Ca 0.22 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 59.17 2hgq h ARG 194 Cb 0.52 0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.76 2hgq h ARG 194 CO -0.86 -0.10 0.53 0.00 0.56 0.00 0.00 179.97 180.10 2hgq h ALA 195 N -1.92 1.65 0.50 0.04 0.00 -1.08 0.25 119.26 118.69 2hgq h ALA 195 Ca -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2hgq h ALA 195 Cb 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2hgq h ALA 195 CO 0.03 -0.24 -0.31 1.25 0.00 0.00 0.00 179.25 179.97 2hgq h LEU 196 N 0.56 -0.79 -0.93 0.00 5.85 -1.07 -0.36 115.31 118.58 2hgq h LEU 196 Ca 0.60 0.04 0.27 0.00 0.84 0.00 0.00 57.88 59.64 2hgq h LEU 196 Cb 1.10 0.23 -0.17 0.00 0.37 0.00 0.00 40.66 42.19 2hgq h LEU 196 CO -0.47 -0.47 0.09 -0.62 -0.34 0.00 0.00 178.44 176.62 2hgq n GLU 197 N -4.30 -0.07 0.47 1.25 1.02 0.67 0.42 120.64 120.10 2hgq n GLU 197 Ca -0.09 1.37 -0.19 0.00 -0.02 0.00 0.00 57.16 58.23 2hgq n GLU 197 Cb 0.32 -2.22 -0.09 0.00 -0.02 0.00 0.00 31.44 29.42 2hgq n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hgq h ALA 198 N 1.86 -1.19 -1.00 0.62 0.00 -0.56 -2.75 119.26 116.23 2hgq h ALA 198 Ca 0.59 -0.26 0.36 0.00 0.00 0.00 0.00 54.91 55.60 2hgq h ALA 198 Cb 1.29 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 19.38 2hgq h ALA 198 CO -0.85 -1.14 0.55 0.45 0.00 0.00 0.00 179.25 178.26 2hgq h HIS 199 N -1.25 0.88 0.00 0.00 3.86 0.17 -3.41 115.15 115.40 2hgq h HIS 199 Ca -0.12 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.03 2hgq h HIS 199 Cb 0.92 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 2hgq h HIS 199 CO -0.00 -0.29 0.52 1.17 0.86 0.00 0.00 177.93 180.19 2hgq n LYS 200 N -5.13 0.00 -1.66 2.45 4.81 -0.35 -4.78 118.16 113.50 2hgq n LYS 200 Ca 0.34 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.36 2hgq n LYS 200 Cb 1.09 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.89 2hgq n LYS 200 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2hgq n PRO 201 N 1.42 1.73 0.00 1.64 -0.04 -1.26 -4.81 135.00 133.68 2hgq n PRO 201 Ca 0.17 0.61 0.01 0.00 -0.04 0.00 0.00 63.50 64.26 2hgq n PRO 201 Cb 0.04 -2.21 0.08 0.00 -0.04 0.00 0.00 33.50 31.37 2hgq n PRO 201 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2hgq n GLU 202 N 0.26 0.11 -0.43 0.54 -0.00 -1.26 -2.41 120.64 117.44 2hgq n GLU 202 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.27 2hgq n GLU 202 Cb 0.38 -1.38 0.20 0.00 -0.00 0.00 0.00 31.44 30.64 2hgq n GLU 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgq n GLY 203 N -0.68 2.20 3.83 -1.84 0.00 -1.26 -4.89 105.19 102.55 2hgq n GLY 203 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2hgq n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq s ALA 204 N -1.85 3.76 -0.52 4.61 0.00 -1.01 -4.89 121.76 121.86 2hgq s ALA 204 Ca 0.26 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2hgq s ALA 204 Cb 0.20 -1.91 0.16 0.00 0.00 0.00 0.00 23.12 21.58 2hgq s ALA 204 CO 0.08 0.57 0.38 0.21 0.00 0.00 0.00 175.76 176.99 2hgq s LYS 205 N -0.86 1.51 0.00 0.00 2.47 -1.26 -5.07 119.74 116.53 2hgq s LYS 205 Ca 0.14 -2.51 0.00 0.00 -1.56 0.00 0.00 55.97 52.03 2hgq s LYS 205 Cb -0.12 -2.26 0.00 0.00 -1.46 0.00 0.00 37.83 33.99 2hgq s LYS 205 CO 0.03 -1.31 0.00 0.41 0.16 0.00 0.00 175.35 174.64 2hgq n GLY 206 N 2.67 0.30 3.57 5.54 0.00 -1.26 -4.95 105.19 111.06 2hgq n GLY 206 Ca 0.23 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2hgq n GLY 206 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hgq s THR 207 N 0.00 4.03 -0.01 2.61 2.01 -1.26 -4.85 115.64 118.16 2hgq s THR 207 Ca 0.00 -1.40 -0.07 0.00 0.31 0.00 0.00 61.69 60.52 2hgq s THR 207 Cb 0.00 -5.13 -0.04 0.00 0.01 0.00 0.00 72.50 67.34 2hgq s THR 207 CO 0.00 -1.98 0.54 0.15 -0.69 0.00 0.00 174.62 172.65 2hgq h PHE 208 N 8.57 -0.25 -1.53 4.92 3.57 -1.92 -3.34 116.94 126.96 2hgq h PHE 208 Ca 0.34 -0.01 -0.44 0.00 3.53 0.00 0.00 57.97 61.40 2hgq h PHE 208 Cb 0.93 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.71 2hgq h PHE 208 CO 1.36 -0.15 1.13 -1.17 -2.23 0.00 0.00 178.31 177.24 2hgq s LEU 209 N -6.35 3.25 -0.04 0.59 0.20 -1.26 -0.70 118.68 114.37 2hgq s LEU 209 Ca -0.04 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 2hgq s LEU 209 Cb 0.00 -2.54 -0.00 0.00 -0.43 0.00 0.00 46.19 43.22 2hgq s LEU 209 CO 0.12 -2.42 -0.01 0.03 -0.29 0.00 0.00 176.35 173.78 2hgq h ARG 210 N 13.06 0.00 -5.04 1.98 3.08 -1.31 -3.45 114.38 122.68 2hgq h ARG 210 Ca -0.11 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.27 2hgq h ARG 210 Cb 1.09 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.83 2hgq h ARG 210 CO 1.23 0.00 -0.80 -1.54 -1.07 0.00 0.00 179.97 177.79 2hgq s SER 211 N -3.91 3.66 -0.23 7.04 1.04 -1.04 -4.99 113.70 115.27 2hgq s SER 211 Ca -0.01 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2hgq s SER 211 Cb 0.00 -1.60 0.06 0.00 0.10 0.00 0.00 66.02 64.59 2hgq s SER 211 CO 0.01 -0.00 -0.05 -0.69 0.98 0.00 0.00 173.24 173.49 2hgq s VAL 212 N 1.33 1.54 0.28 5.02 1.01 -1.26 -1.00 120.40 127.32 2hgq s VAL 212 Ca 0.04 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.83 2hgq s VAL 212 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2hgq s VAL 212 CO -0.08 -0.10 0.25 -0.31 0.00 0.00 0.00 175.10 174.86 2hgq s TYR 213 N 1.39 1.43 -0.10 5.22 1.51 -0.27 -1.07 117.35 125.46 2hgq s TYR 213 Ca -0.06 -1.49 0.04 0.00 -1.01 0.00 0.00 57.07 54.55 2hgq s TYR 213 Cb -0.19 -0.57 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 2hgq s TYR 213 CO -0.06 -0.81 -0.24 0.08 -1.11 0.00 0.00 175.55 173.41 2hgq s VAL 214 N -3.70 2.04 0.05 0.71 1.01 -0.33 -0.98 120.40 119.20 2hgq s VAL 214 Ca 0.39 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2hgq s VAL 214 Cb 0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2hgq s VAL 214 CO 0.20 0.55 0.13 0.28 0.00 0.00 0.00 175.10 176.27 2hgq s THR 215 N 0.37 0.14 0.00 3.92 -1.32 -0.06 -1.12 115.64 117.57 2hgq s THR 215 Ca -0.18 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.14 2hgq s THR 215 Cb -0.18 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 2hgq s THR 215 CO 0.08 -0.64 0.00 0.35 -2.21 0.00 0.00 174.62 172.20 2hgq n THR 216 N 0.42 0.00 0.00 5.08 -2.24 -0.25 -0.81 114.28 116.48 2hgq n THR 216 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2hgq n THR 216 Cb 0.60 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2hgq n THR 216 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2hgq n THR 217 N -0.59 0.00 -3.02 4.28 -1.04 -1.26 -4.56 114.28 108.09 2hgq n THR 217 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 2hgq n THR 217 Cb 0.00 -0.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.88 2hgq n THR 217 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2hgq s MET 218 N 0.00 3.32 0.00 -2.82 1.75 -1.26 -4.89 119.30 115.40 2hgq s MET 218 Ca 0.00 -1.53 0.00 0.00 -1.25 0.00 0.00 55.69 52.91 2hgq s MET 218 Cb 0.00 -4.51 0.00 0.00 2.84 0.00 0.00 34.83 33.16 2hgq s MET 218 CO 0.00 -1.65 0.00 0.41 -0.65 0.00 0.00 175.02 173.13 2hgq n GLY 219 N 5.20 -0.93 3.77 2.11 0.00 -1.26 -4.97 105.19 109.12 2hgq n GLY 219 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2hgq n GLY 219 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2hgq s PRO 220 N -0.31 1.57 -0.26 1.61 0.02 -1.26 -4.74 135.00 131.63 2hgq s PRO 220 Ca 0.00 0.59 -0.02 0.00 0.02 0.00 0.00 61.00 61.60 2hgq s PRO 220 Cb 0.00 -1.86 0.13 0.00 0.02 0.00 0.00 34.50 32.78 2hgq s PRO 220 CO 0.00 -1.97 0.29 0.45 -0.33 0.00 0.00 177.00 175.44 2hgq s SER 221 N -3.79 1.40 -0.01 2.53 0.15 -1.26 -1.09 113.70 111.62 2hgq s SER 221 Ca 0.62 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.79 2hgq s SER 221 Cb -0.16 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2hgq s SER 221 CO 0.55 -0.36 -0.05 -0.69 1.20 0.00 0.00 173.24 173.89 2hgq s VAL 222 N 2.38 0.40 0.60 4.45 1.01 -0.27 -4.99 120.40 123.98 2hgq s VAL 222 Ca 0.09 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 2hgq s VAL 222 Cb -0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2hgq s VAL 222 CO -0.26 0.12 1.05 -0.60 0.00 0.00 0.00 175.10 175.42 2hgq s ARG 223 N 0.04 3.32 0.02 2.72 3.52 -1.26 -1.19 118.95 126.11 2hgq s ARG 223 Ca 0.00 1.13 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 2hgq s ARG 223 Cb -0.04 -2.04 -0.02 0.00 -1.56 0.00 0.00 34.95 31.30 2hgq s ARG 223 CO -0.00 -0.81 -0.16 0.96 -0.81 0.00 0.00 175.30 174.48 2hgq s ILE 224 N -2.58 1.27 -1.02 4.11 -4.36 -0.23 -4.03 121.20 114.36 2hgq s ILE 224 Ca 0.62 -0.91 -0.12 0.00 -0.26 0.00 0.00 60.65 59.98 2hgq s ILE 224 Cb -0.15 -1.10 0.24 0.00 1.25 0.00 0.00 42.46 42.69 2hgq s ILE 224 CO 0.40 0.17 1.04 0.21 0.24 0.00 0.00 174.94 177.00 2hgq s ASN 225 N -0.86 7.07 0.00 4.36 2.47 -1.01 -4.62 114.94 122.34 2hgq s ASN 225 Ca 0.04 -3.12 0.00 0.00 0.42 0.00 0.00 52.86 50.20 2hgq s ASN 225 Cb -0.07 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 2hgq s ASN 225 CO 0.01 -0.49 0.06 -0.81 -3.72 0.00 0.00 177.10 172.14 2hgq n PRO 226 N 3.76 0.00 -0.06 0.43 -0.04 -1.26 -1.54 135.00 136.28 2hgq n PRO 226 Ca 0.22 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.62 2hgq n PRO 226 Cb 0.43 -1.09 -0.05 0.00 -0.04 0.00 0.00 33.50 32.75 2hgq n PRO 226 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hgq h HIS 227 N 0.00 0.00 -0.02 0.54 3.86 -1.95 -3.49 115.15 114.09 2hgq h HIS 227 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hgq h HIS 227 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2hgq h HIS 227 CO 0.00 0.40 0.00 0.45 0.86 0.00 0.00 177.93 179.64