#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hbm n GLN 3 N 0.00 2.18 0.00 0.00 10.64 -1.26 -5.03 117.38 123.91 1hbm n GLN 3 Ca 0.00 -0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1hbm n GLN 3 Cb 0.00 -1.15 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 1hbm n GLN 3 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1hbm n TYR 4 N -1.48 0.00 -3.63 2.61 4.02 -1.26 -4.76 117.16 112.66 1hbm n TYR 4 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.78 1hbm n TYR 4 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.48 1hbm n TYR 4 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1hbm s TYR 5 N 0.00 -0.65 0.55 -0.72 5.04 -1.26 -5.00 117.35 115.31 1hbm s TYR 5 Ca 0.00 1.57 -0.08 0.00 -2.44 0.00 0.00 57.07 56.13 1hbm s TYR 5 Cb 0.00 0.32 -0.03 0.00 0.35 0.00 0.00 41.96 42.59 1hbm s TYR 5 CO 0.00 -0.33 0.89 -1.25 -1.34 0.00 0.00 175.55 173.52 1hbm s PRO 6 N 0.22 3.49 0.00 4.97 0.04 -1.26 -4.91 135.00 137.55 1hbm s PRO 6 Ca 0.01 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1hbm s PRO 6 Cb -0.05 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1hbm s PRO 6 CO -0.01 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1hbm n GLY 7 N -2.49 3.94 0.07 0.56 0.00 -1.26 -4.59 105.19 101.43 1hbm n GLY 7 Ca 0.03 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.44 1hbm n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hbm n THR 8 N -1.55 1.40 -2.62 2.61 -2.24 -1.26 -4.70 114.28 105.92 1hbm n THR 8 Ca 0.00 -1.54 -0.22 0.00 -2.27 0.00 0.00 64.05 60.01 1hbm n THR 8 Cb 0.00 0.18 0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1hbm n THR 8 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hbm s THR 9 N -1.82 2.40 0.26 4.28 -4.23 -1.26 -4.99 115.64 110.28 1hbm s THR 9 Ca 0.15 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1hbm s THR 9 Cb 0.13 -2.76 0.10 0.00 1.34 0.00 0.00 72.50 71.30 1hbm s THR 9 CO 0.02 0.00 1.74 0.11 -0.54 0.00 0.00 174.62 175.95 1hbm h LYS 10 N -0.21 0.75 -0.16 3.99 1.57 -1.96 -2.61 116.57 117.94 1hbm h LYS 10 Ca -0.39 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1hbm h LYS 10 Cb 1.28 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1hbm h LYS 10 CO 0.47 0.80 -0.20 0.28 -0.57 0.00 0.00 179.45 180.22 1hbm h VAL 11 N 0.70 0.48 -0.72 0.50 2.07 -1.92 0.44 116.25 117.80 1hbm h VAL 11 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1hbm h VAL 11 Cb 0.50 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1hbm h VAL 11 CO 0.03 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.83 1hbm h ALA 12 N 0.79 1.01 -0.57 1.67 0.00 -1.87 -0.72 119.26 119.58 1hbm h ALA 12 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1hbm h ALA 12 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1hbm h ALA 12 CO -0.30 0.66 0.33 0.37 0.00 0.00 0.00 179.25 180.31 1hbm h GLN 13 N 1.07 0.78 -0.69 0.00 5.75 -1.15 -1.54 115.11 119.33 1hbm h GLN 13 Ca 0.23 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1hbm h GLN 13 Cb 0.32 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1hbm h GLN 13 CO -0.00 0.58 0.34 -0.91 -2.65 0.00 0.00 178.83 176.19 1hbm h ASN 14 N 0.77 0.88 -0.66 -0.69 2.35 -0.32 -0.50 115.58 117.41 1hbm h ASN 14 Ca 0.20 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1hbm h ASN 14 Cb 0.00 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1hbm h ASN 14 CO -0.04 0.74 0.38 0.03 -1.65 0.00 0.00 177.43 176.90 1hbm h ARG 15 N 0.98 0.91 -0.38 0.81 3.08 -0.82 -1.60 114.38 117.35 1hbm h ARG 15 Ca 0.24 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1hbm h ARG 15 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1hbm h ARG 15 CO -0.03 0.67 0.22 0.00 -1.07 0.00 0.00 179.97 179.76 1hbm h ARG 16 N 0.90 0.52 -0.31 0.04 3.08 -0.76 -2.96 114.38 114.90 1hbm h ARG 16 Ca 0.24 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.26 1hbm h ARG 16 Cb 0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1hbm h ARG 16 CO -0.04 0.40 0.14 -0.91 -1.07 0.00 0.00 179.97 178.49 1hbm h ASN 17 N 0.50 0.19 -0.75 7.04 2.35 -0.78 -0.77 115.58 123.34 1hbm h ASN 17 Ca 0.14 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 1hbm h ASN 17 Cb 0.02 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1hbm h ASN 17 CO -0.02 0.15 0.50 -0.26 -1.65 0.00 0.00 177.43 176.14 1hbm h PHE 18 N 0.29 0.67 0.00 1.19 -1.00 -1.30 -2.39 116.94 114.41 1hbm h PHE 18 Ca 0.13 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.74 1hbm h PHE 18 Cb 0.07 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1hbm h PHE 18 CO -0.11 0.31 -0.90 0.00 -1.61 0.00 0.00 178.31 175.99 1hbm s ASN 20 N -6.71 6.77 0.59 0.00 3.84 -0.38 -4.57 114.94 114.49 1hbm s ASN 20 Ca 0.01 0.94 0.38 0.00 0.21 0.00 0.00 52.86 54.39 1hbm s ASN 20 Cb 0.10 -2.54 1.79 0.00 -0.55 0.00 0.00 41.25 40.05 1hbm s ASN 20 CO 0.80 -1.04 2.13 -0.65 -2.79 0.00 0.00 177.10 175.56 1hbm h PRO 21 N 8.75 0.00 0.00 0.43 0.11 -1.87 0.75 132.00 140.17 1hbm h PRO 21 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1hbm h PRO 21 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1hbm h PRO 21 CO 1.06 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 179.22 1hbm n GLU 22 N -3.06 0.01 -2.82 1.05 1.02 -1.26 -4.75 120.64 110.83 1hbm n GLU 22 Ca -0.01 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1hbm n GLU 22 Cb 0.21 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1hbm n GLU 22 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1hbm s TYR 23 N -3.00 3.45 -0.53 -0.32 5.04 0.25 -5.00 117.35 117.23 1hbm s TYR 23 Ca 0.14 1.37 -0.28 0.00 -2.44 0.00 0.00 57.07 55.85 1hbm s TYR 23 Cb 0.19 -3.07 0.02 0.00 0.35 0.00 0.00 41.96 39.45 1hbm s TYR 23 CO 0.54 -0.24 1.28 -2.00 -1.34 0.00 0.00 175.55 173.79 1hbm s GLU 24 N 2.12 3.50 0.20 4.97 2.12 -1.26 -4.95 118.70 125.40 1hbm s GLU 24 Ca 0.42 0.46 -0.32 0.00 0.36 0.00 0.00 54.97 55.88 1hbm s GLU 24 Cb -0.17 -4.03 -0.13 0.00 0.26 0.00 0.00 34.13 30.06 1hbm s GLU 24 CO 0.14 -1.69 1.51 1.28 -0.54 0.00 0.00 175.26 175.96 1hbm n LEU 25 N 8.72 3.20 -4.67 2.70 4.77 -1.26 -4.90 117.00 125.56 1hbm n LEU 25 Ca 0.11 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.78 1hbm n LEU 25 Cb 0.49 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1hbm n LEU 25 CO 0.71 -0.33 1.31 -0.70 -1.33 0.00 0.00 177.39 177.05 1hbm s GLU 26 N 0.28 4.20 -0.12 3.23 2.12 -1.26 -4.87 118.70 122.29 1hbm s GLU 26 Ca 0.73 2.14 -0.26 0.00 0.36 0.00 0.00 54.97 57.94 1hbm s GLU 26 Cb -0.65 -3.85 -0.02 0.00 0.26 0.00 0.00 34.13 29.86 1hbm s GLU 26 CO 0.43 -0.78 0.83 0.21 -0.54 0.00 0.00 175.26 175.41 1hbm s LYS 27 N 3.56 4.37 -0.01 4.30 2.20 -1.26 -1.08 119.74 131.82 1hbm s LYS 27 Ca 0.71 1.06 0.07 0.00 -0.36 0.00 0.00 55.97 57.45 1hbm s LYS 27 Cb -0.33 -3.53 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 1hbm s LYS 27 CO 0.28 -0.20 0.20 1.28 -0.36 0.00 0.00 175.35 176.56 1hbm n LEU 28 N 4.70 0.10 -3.61 5.43 4.77 0.07 -4.98 117.00 123.48 1hbm n LEU 28 Ca 0.04 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 1hbm n LEU 28 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1hbm n LEU 28 CO 0.49 0.02 0.24 0.00 -1.33 0.00 0.00 177.39 176.81 1hbm s ARG 29 N -2.27 0.98 -0.19 3.23 1.70 -1.04 -5.04 118.95 116.33 1hbm s ARG 29 Ca -0.01 -0.23 -0.07 0.00 -0.47 0.00 0.00 55.73 54.95 1hbm s ARG 29 Cb 0.05 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1hbm s ARG 29 CO 0.30 -0.34 0.05 -2.00 -1.08 0.00 0.00 175.30 172.23 1hbm s GLU 30 N -2.28 3.90 -0.03 3.89 2.56 -1.26 -4.64 118.70 120.83 1hbm s GLU 30 Ca -0.06 -0.38 0.05 0.00 0.00 0.00 0.00 54.97 54.57 1hbm s GLU 30 Cb -0.01 -3.18 -0.01 0.00 2.00 0.00 0.00 34.13 32.93 1hbm s GLU 30 CO -0.01 0.22 -0.17 0.42 -0.56 0.00 0.00 175.26 175.16 1hbm s ILE 31 N 0.51 1.43 0.60 -3.70 1.01 -1.26 -5.04 121.20 114.74 1hbm s ILE 31 Ca 0.02 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 1hbm s ILE 31 Cb -0.13 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1hbm s ILE 31 CO 0.01 0.41 1.05 -0.94 0.00 0.00 0.00 174.94 175.47 1hbm s SER 32 N -0.14 5.80 0.22 3.58 1.04 -1.26 -4.89 113.70 118.06 1hbm s SER 32 Ca 0.00 1.78 -0.08 0.00 0.48 0.00 0.00 55.95 58.13 1hbm s SER 32 Cb -0.10 -2.53 0.36 0.00 0.10 0.00 0.00 66.02 63.85 1hbm s SER 32 CO 0.01 -1.15 1.69 0.44 0.98 0.00 0.00 173.24 175.21 1hbm h ASP 33 N 0.35 -0.06 -0.61 7.02 3.45 -2.01 -1.74 116.42 122.83 1hbm h ASP 33 Ca -0.47 0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.15 1hbm h ASP 33 Cb 1.22 0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 40.15 1hbm h ASP 33 CO 0.58 -0.04 0.38 -0.08 -1.57 0.00 0.00 179.24 178.51 1hbm h GLU 34 N 0.23 0.74 -0.32 3.56 4.81 -2.00 -2.20 114.58 119.41 1hbm h GLU 34 Ca 0.35 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1hbm h GLU 34 Cb 0.57 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1hbm h GLU 34 CO -0.47 0.49 -0.16 -0.44 -0.73 0.00 0.00 179.01 177.70 1hbm h ASP 35 N 0.77 0.56 0.03 1.04 3.32 -1.81 -1.21 116.42 119.12 1hbm h ASP 35 Ca 0.24 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1hbm h ASP 35 Cb -0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.39 1hbm h ASP 35 CO -0.09 0.74 -0.02 0.58 -1.72 0.00 0.00 179.24 178.74 1hbm h VAL 36 N 0.51 0.97 -0.74 -1.35 2.07 -1.16 -0.98 116.25 115.57 1hbm h VAL 36 Ca 0.09 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.70 1hbm h VAL 36 Cb 0.58 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 1hbm h VAL 36 CO 0.04 0.01 0.34 0.58 0.02 0.00 0.00 177.57 178.56 1hbm h VAL 37 N -0.06 0.75 -0.51 2.57 2.07 -1.12 -1.53 116.25 118.43 1hbm h VAL 37 Ca -0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1hbm h VAL 37 Cb 0.05 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1hbm h VAL 37 CO 0.01 0.10 0.22 0.11 0.02 0.00 0.00 177.57 178.03 1hbm h LYS 38 N 0.54 0.76 -0.55 1.57 1.57 -1.05 -1.71 116.57 117.70 1hbm h LYS 38 Ca 0.39 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1hbm h LYS 38 Cb 0.51 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1hbm h LYS 38 CO -0.34 0.65 0.29 0.82 -0.57 0.00 0.00 179.45 180.31 1hbm h ILE 39 N 0.69 1.19 -0.02 1.86 2.04 -0.87 -3.17 117.51 119.23 1hbm h ILE 39 Ca 0.17 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1hbm h ILE 39 Cb 0.17 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1hbm h ILE 39 CO -0.02 0.20 0.01 -0.07 0.00 0.00 0.00 178.15 178.27 1hbm h LEU 40 N 0.74 0.02 0.00 1.44 3.38 -1.21 -1.07 115.31 118.61 1hbm h LEU 40 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1hbm h LEU 40 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1hbm h LEU 40 CO -0.03 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1hbm n GLY 41 N -0.83 0.49 0.10 0.83 0.00 -0.65 -4.57 105.19 100.56 1hbm n GLY 41 Ca -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.26 1hbm n GLY 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1hbm h HIS 42 N 0.00 0.00 -3.50 1.61 3.86 -1.91 -3.48 115.15 111.73 1hbm h HIS 42 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1hbm h HIS 42 Cb 0.00 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 1hbm h HIS 42 CO 0.00 0.68 -0.13 -0.98 0.86 0.00 0.00 177.93 178.36 1hbm s ARG 43 N -2.85 1.10 0.23 2.45 1.70 -1.26 -5.08 118.95 115.24 1hbm s ARG 43 Ca -0.01 -0.83 -0.20 0.00 -0.47 0.00 0.00 55.73 54.21 1hbm s ARG 43 Cb 0.08 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.83 1hbm s ARG 43 CO 0.80 -0.42 0.75 0.00 -1.08 0.00 0.00 175.30 175.34 1hbm s ALA 44 N -3.85 3.39 0.09 7.88 0.00 -1.26 -4.73 121.76 123.28 1hbm s ALA 44 Ca 0.06 0.21 -0.36 0.00 0.00 0.00 0.00 51.96 51.86 1hbm s ALA 44 Cb 0.02 -2.86 -0.18 0.00 0.00 0.00 0.00 23.12 20.10 1hbm s ALA 44 CO -0.09 0.31 1.16 -2.30 0.00 0.00 0.00 175.76 174.84 1hbm n PRO 45 N 0.72 0.70 0.00 0.00 -0.02 -1.26 -1.09 135.00 134.06 1hbm n PRO 45 Ca -0.02 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1hbm n PRO 45 Cb 0.51 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1hbm n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hbm n GLY 46 N 2.04 1.95 3.76 -1.23 0.00 -1.26 -5.03 105.19 105.42 1hbm n GLY 46 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1hbm n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hbm s GLU 47 N -0.36 4.45 0.54 1.61 2.12 -0.25 -5.04 118.70 121.76 1hbm s GLU 47 Ca 0.00 0.98 -0.22 0.00 0.36 0.00 0.00 54.97 56.09 1hbm s GLU 47 Cb 0.00 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1hbm s GLU 47 CO 0.00 0.38 1.35 0.39 -0.54 0.00 0.00 175.26 176.84 1hbm n GLU 48 N 2.49 1.71 -1.79 4.30 1.02 -1.26 -4.85 120.64 122.25 1hbm n GLU 48 Ca -0.05 0.63 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1hbm n GLU 48 Cb 0.50 -2.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.33 1hbm n GLU 48 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1hbm s TYR 49 N -1.28 1.53 0.96 -0.32 1.51 -1.26 -5.00 117.35 113.48 1hbm s TYR 49 Ca 0.71 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.45 1hbm s TYR 49 Cb -0.42 -4.12 0.17 0.00 -0.11 0.00 0.00 41.96 37.48 1hbm s TYR 49 CO 0.50 -4.93 1.12 -2.14 -1.11 0.00 0.00 175.55 169.00 1hbm s PRO 50 N 4.34 0.67 0.09 -1.71 0.02 -1.26 -5.00 135.00 132.16 1hbm s PRO 50 Ca 0.83 1.41 0.10 0.00 0.02 0.00 0.00 61.00 63.36 1hbm s PRO 50 Cb -0.39 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1hbm s PRO 50 CO 0.37 -2.82 -0.25 -1.12 -0.33 0.00 0.00 177.00 172.85 1hbm s SER 51 N -2.66 3.40 -0.02 2.53 0.01 -1.26 -3.60 113.70 112.10 1hbm s SER 51 Ca 0.67 -0.64 0.16 0.00 1.31 0.00 0.00 55.95 57.44 1hbm s SER 51 Cb -0.23 -0.32 -0.25 0.00 0.21 0.00 0.00 66.02 65.43 1hbm s SER 51 CO 0.59 0.21 0.34 1.33 0.41 0.00 0.00 173.24 176.13 1hbm n VAL 52 N 1.21 0.01 -3.97 3.43 0.24 -0.16 -4.79 118.33 114.31 1hbm n VAL 52 Ca -0.17 -0.37 -0.09 0.00 -2.04 0.00 0.00 64.34 61.67 1hbm n VAL 52 Cb 0.53 0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 32.97 1hbm n VAL 52 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1hbm s HIS 53 N -3.09 0.35 0.78 6.34 -3.43 -1.23 -5.08 115.29 109.92 1hbm s HIS 53 Ca -0.06 -0.70 -0.13 0.00 -0.80 0.00 0.00 55.06 53.38 1hbm s HIS 53 Cb 0.10 0.15 0.07 0.00 -1.43 0.00 0.00 32.58 31.46 1hbm s HIS 53 CO 0.66 -0.93 1.15 -2.14 -2.00 0.00 0.00 174.74 171.47 1hbm s PRO 54 N -4.00 1.97 0.41 -0.38 0.02 -1.26 -4.45 135.00 127.30 1hbm s PRO 54 Ca 0.21 1.50 -0.24 0.00 0.02 0.00 0.00 61.00 62.49 1hbm s PRO 54 Cb 0.00 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.57 1hbm s PRO 54 CO 0.07 -1.91 0.82 -2.30 -0.33 0.00 0.00 177.00 173.35 1hbm n PRO 55 N -3.26 1.00 -0.29 5.54 -0.02 -1.26 -4.50 135.00 132.21 1hbm n PRO 55 Ca 0.11 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1hbm n PRO 55 Cb 0.52 -1.80 0.21 0.00 -0.02 0.00 0.00 33.50 32.41 1hbm n PRO 55 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1hbm h LEU 56 N 1.26 0.55 -2.15 2.45 3.38 -1.58 -1.45 115.31 117.77 1hbm h LEU 56 Ca -0.42 0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.70 1hbm h LEU 56 Cb 1.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1hbm h LEU 56 CO 0.55 0.25 0.27 -0.33 0.09 0.00 0.00 178.44 179.27 1hbm h GLU 57 N 0.65 0.00 -0.04 1.13 4.39 -1.90 -1.98 114.58 116.83 1hbm h GLU 57 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1hbm h GLU 57 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1hbm h GLU 57 CO -0.33 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 177.91 1hbm n GLU 58 N -3.81 1.93 -4.09 2.33 1.02 -0.55 -4.90 120.64 112.58 1hbm n GLU 58 Ca 0.03 -1.36 -0.23 0.00 -0.02 0.00 0.00 57.16 55.58 1hbm n GLU 58 Cb 0.41 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 1hbm n GLU 58 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1hbm s MET 59 N -1.97 2.98 -0.84 3.49 -1.94 -0.74 -5.01 119.30 115.27 1hbm s MET 59 Ca 0.34 -0.98 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 1hbm s MET 59 Cb 0.20 -2.62 0.20 0.00 2.01 0.00 0.00 34.83 34.62 1hbm s MET 59 CO 0.32 0.42 0.83 0.34 -0.01 0.00 0.00 175.02 176.92 1hbm s ASP 60 N -3.68 6.71 0.63 3.03 3.68 -1.26 -5.02 116.67 120.77 1hbm s ASP 60 Ca 0.33 -2.52 -0.17 0.00 2.13 0.00 0.00 52.55 52.32 1hbm s ASP 60 Cb -0.09 -2.25 -0.02 0.00 -1.45 0.00 0.00 42.92 39.12 1hbm s ASP 60 CO 0.25 -0.69 1.14 -1.61 0.13 0.00 0.00 175.17 174.40 1hbm s GLU 61 N 0.75 2.89 0.69 4.34 2.02 -1.26 -4.99 118.70 123.13 1hbm s GLU 61 Ca 0.20 1.58 -0.16 0.00 0.02 0.00 0.00 54.97 56.61 1hbm s GLU 61 Cb -0.10 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1hbm s GLU 61 CO -0.08 -1.21 1.21 -1.25 0.02 0.00 0.00 175.26 173.94 1hbm s PRO 62 N -3.72 2.37 -0.16 0.39 0.04 -1.26 -4.96 135.00 127.71 1hbm s PRO 62 Ca 0.71 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1hbm s PRO 62 Cb -0.24 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1hbm s PRO 62 CO 0.37 -1.67 1.63 -1.21 0.04 0.00 0.00 177.00 176.16 1hbm s GLU 63 N -3.75 3.94 -0.30 4.56 2.02 -1.26 -4.95 118.70 118.95 1hbm s GLU 63 Ca 0.75 1.86 -0.02 0.00 0.02 0.00 0.00 54.97 57.58 1hbm s GLU 63 Cb -0.30 -4.01 0.18 0.00 0.10 0.00 0.00 34.13 30.10 1hbm s GLU 63 CO 0.42 -1.12 0.63 0.34 0.02 0.00 0.00 175.26 175.55 1hbm s ASP 64 N 3.90 -1.31 0.44 -0.19 -1.08 -1.26 -5.04 116.67 112.14 1hbm s ASP 64 Ca 0.72 0.90 0.12 0.00 -0.52 0.00 0.00 52.55 53.77 1hbm s ASP 64 Cb -0.28 2.13 1.02 0.00 -1.46 0.00 0.00 42.92 44.33 1hbm s ASP 64 CO 0.29 -0.25 2.04 0.00 0.52 0.00 0.00 175.17 177.77 1hbm h ALA 65 N 8.00 1.91 -0.45 3.66 0.00 -1.99 -2.09 119.26 128.30 1hbm h ALA 65 Ca -0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hbm h ALA 65 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1hbm h ALA 65 CO 0.23 0.02 0.07 0.82 0.00 0.00 0.00 179.25 180.39 1hbm h ILE 66 N 0.39 1.25 -0.71 0.00 1.08 -1.99 -1.78 117.51 115.74 1hbm h ILE 66 Ca 0.18 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1hbm h ILE 66 Cb 0.23 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 1hbm h ILE 66 CO -0.04 0.32 0.43 0.03 -0.69 0.00 0.00 178.15 178.19 1hbm h ARG 67 N 0.60 0.96 -0.36 2.37 3.08 -1.78 -1.73 114.38 117.53 1hbm h ARG 67 Ca 0.14 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1hbm h ARG 67 Cb 0.39 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1hbm h ARG 67 CO 0.01 0.68 -0.15 0.93 -1.07 0.00 0.00 179.97 180.37 1hbm h GLU 68 N 0.98 0.65 0.00 0.04 5.08 -1.15 -3.24 114.58 116.94 1hbm h GLU 68 Ca 0.26 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1hbm h GLU 68 Cb -0.04 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1hbm h GLU 68 CO -0.05 0.77 -0.72 0.52 -1.00 0.00 0.00 179.01 178.53 1hbm h MET 69 N 0.59 0.00 -4.55 2.33 2.86 -1.03 -3.44 114.93 111.69 1hbm h MET 69 Ca 0.10 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 57.03 1hbm h MET 69 Cb 0.59 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 31.98 1hbm h MET 69 CO 0.04 0.06 -0.51 0.08 1.06 0.00 0.00 176.91 177.64 1hbm s VAL 70 N -3.25 4.26 0.04 -2.22 1.01 -0.68 -5.06 120.40 114.50 1hbm s VAL 70 Ca 0.02 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.54 1hbm s VAL 70 Cb 0.08 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1hbm s VAL 70 CO 0.75 -0.34 1.39 -0.70 0.00 0.00 0.00 175.10 176.20 1hbm s GLU 71 N 1.47 4.30 0.42 2.72 2.56 -1.26 -4.85 118.70 124.06 1hbm s GLU 71 Ca 0.02 1.99 -0.24 0.00 0.00 0.00 0.00 54.97 56.74 1hbm s GLU 71 Cb -0.21 -3.46 -0.08 0.00 2.00 0.00 0.00 34.13 32.37 1hbm s GLU 71 CO 0.04 -0.52 1.10 -1.25 -0.56 0.00 0.00 175.26 174.08 1hbm s PRO 72 N 1.93 4.00 0.73 4.30 0.05 -1.26 -5.02 135.00 139.74 1hbm s PRO 72 Ca 0.64 1.63 -0.14 0.00 0.05 0.00 0.00 61.00 63.18 1hbm s PRO 72 Cb -0.33 -2.50 0.04 0.00 0.05 0.00 0.00 34.50 31.76 1hbm s PRO 72 CO 0.28 -0.31 1.16 0.96 0.05 0.00 0.00 177.00 179.14 1hbm s ILE 73 N -1.60 2.67 0.39 0.56 -4.36 -1.26 -4.77 121.20 112.82 1hbm s ILE 73 Ca 0.60 0.30 0.09 0.00 -0.26 0.00 0.00 60.65 61.38 1hbm s ILE 73 Cb -0.25 -2.78 0.30 0.00 1.25 0.00 0.00 42.46 40.98 1hbm s ILE 73 CO 0.31 -0.21 1.97 0.44 0.24 0.00 0.00 174.94 177.69 1hbm h ASP 74 N -0.45 0.56 0.84 4.36 3.32 -2.00 -0.65 116.42 122.40 1hbm h ASP 74 Ca -0.46 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1hbm h ASP 74 Cb 1.27 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1hbm h ASP 74 CO 0.50 0.35 -0.40 1.23 -1.72 0.00 0.00 179.24 179.20 1hbm h GLY 75 N 0.63 0.00 0.97 2.75 0.00 -1.91 -2.49 103.07 103.02 1hbm h GLY 75 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.54 1hbm h GLY 75 CO -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.32 1hbm h ALA 76 N 1.60 0.52 -0.95 3.60 0.00 -1.49 -1.19 119.26 121.35 1hbm h ALA 76 Ca -0.00 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1hbm h ALA 76 Cb 0.93 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1hbm h ALA 76 CO 0.05 0.41 0.61 0.87 0.00 0.00 0.00 179.25 181.19 1hbm h LYS 77 N 0.54 1.00 0.00 0.00 1.57 -1.14 -2.31 116.57 116.23 1hbm h LYS 77 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hbm h LYS 77 Cb 0.65 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1hbm h LYS 77 CO 0.04 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 179.59 1hbm h ALA 78 N 1.51 1.00 0.00 3.86 0.00 -1.41 -2.02 119.26 122.20 1hbm h ALA 78 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1hbm h ALA 78 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1hbm h ALA 78 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1hbm n GLY 79 N 1.13 0.49 3.63 0.00 0.00 -0.83 -4.04 105.19 105.56 1hbm n GLY 79 Ca 0.04 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1hbm n GLY 79 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hbm n ASP 80 N 1.78 0.87 -4.56 1.61 9.92 -0.51 -0.98 116.55 124.67 1hbm n ASP 80 Ca 0.00 0.80 -0.34 0.00 -0.53 0.00 0.00 54.79 54.72 1hbm n ASP 80 Cb 0.16 -1.41 0.11 0.00 -0.64 0.00 0.00 41.12 39.34 1hbm n ASP 80 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1hbm n ARG 81 N -1.14 0.08 -3.21 -1.24 1.74 -1.24 -4.46 116.66 107.19 1hbm n ARG 81 Ca 0.14 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.91 1hbm n ARG 81 Cb 0.48 -2.11 -0.07 0.00 -1.02 0.00 0.00 32.46 29.73 1hbm n ARG 81 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hbm s VAL 82 N -2.15 5.06 0.27 1.55 1.01 -1.26 -1.38 120.40 123.51 1hbm s VAL 82 Ca 0.67 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1hbm s VAL 82 Cb -0.29 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1hbm s VAL 82 CO 0.57 0.10 0.04 0.54 0.00 0.00 0.00 175.10 176.36 1hbm n ARG 83 N 5.35 1.00 -4.24 2.72 5.12 -0.43 -4.89 116.66 121.29 1hbm n ARG 83 Ca -0.03 -2.13 -0.13 0.00 -1.93 0.00 0.00 57.85 53.62 1hbm n ARG 83 Cb 0.50 0.85 -0.10 0.00 -1.16 0.00 0.00 32.46 32.55 1hbm n ARG 83 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1hbm s TYR 84 N -2.27 1.21 0.00 -1.55 -0.85 -1.26 -1.86 117.35 110.77 1hbm s TYR 84 Ca 0.06 -1.12 0.01 0.00 -0.52 0.00 0.00 57.07 55.50 1hbm s TYR 84 Cb 0.00 -0.68 -0.00 0.00 0.38 0.00 0.00 41.96 41.66 1hbm s TYR 84 CO 0.04 -0.33 -0.02 -1.50 -1.52 0.00 0.00 175.55 172.22 1hbm s ILE 85 N -3.79 0.17 -0.03 -3.49 2.07 -1.00 -5.01 121.20 110.12 1hbm s ILE 85 Ca 0.28 -0.15 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1hbm s ILE 85 Cb 0.07 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.51 1hbm s ILE 85 CO 0.06 0.01 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.47 1hbm s GLN 86 N -0.16 0.72 0.08 3.50 0.74 -1.26 -2.50 119.66 120.78 1hbm s GLN 86 Ca -0.00 -0.15 0.09 0.00 0.05 0.00 0.00 55.36 55.35 1hbm s GLN 86 Cb -0.01 -0.72 -0.03 0.00 1.10 0.00 0.00 33.01 33.34 1hbm s GLN 86 CO -0.00 0.00 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.43 1hbm s PHE 87 N 0.53 2.18 -0.08 1.67 0.40 -0.44 -0.79 117.98 121.45 1hbm s PHE 87 Ca -0.07 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.87 1hbm s PHE 87 Cb -0.10 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1hbm s PHE 87 CO 0.00 0.20 -0.08 0.99 0.70 0.00 0.00 175.22 177.03 1hbm s THR 88 N -0.93 3.56 -0.11 0.64 2.01 -0.28 -1.00 115.64 119.53 1hbm s THR 88 Ca 0.11 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1hbm s THR 88 Cb -0.10 -2.46 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1hbm s THR 88 CO 0.04 0.58 -0.17 -1.81 -0.69 0.00 0.00 174.62 172.56 1hbm s ASP 89 N -0.59 2.61 0.38 3.53 1.01 -1.26 -0.94 116.67 121.41 1hbm s ASP 89 Ca 0.09 -0.47 -0.27 0.00 0.71 0.00 0.00 52.55 52.61 1hbm s ASP 89 Cb -0.12 -1.18 -0.09 0.00 1.01 0.00 0.00 42.92 42.54 1hbm s ASP 89 CO 0.02 0.04 1.29 -0.55 0.21 0.00 0.00 175.17 176.18 1hbm s SER 90 N 0.87 6.50 0.02 0.27 0.15 0.27 -4.65 113.70 117.13 1hbm s SER 90 Ca -0.08 2.64 0.17 0.00 0.70 0.00 0.00 55.95 59.37 1hbm s SER 90 Cb -0.15 -2.64 0.70 0.00 -1.71 0.00 0.00 66.02 62.22 1hbm s SER 90 CO -0.00 -0.72 1.53 0.23 1.20 0.00 0.00 173.24 175.47 1hbm n MET 91 N 0.37 0.02 -2.24 5.44 2.81 -0.13 -2.47 117.12 120.91 1hbm n MET 91 Ca 0.02 0.24 -0.42 0.00 -1.81 0.00 0.00 57.70 55.73 1hbm n MET 91 Cb 0.43 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1hbm n MET 91 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1hbm n TYR 92 N -1.56 2.95 -2.54 2.03 4.02 -1.26 -4.72 117.16 116.08 1hbm n TYR 92 Ca 0.04 -2.81 -0.17 0.00 -0.01 0.00 0.00 57.90 54.95 1hbm n TYR 92 Cb 0.19 -2.00 0.01 0.00 -0.02 0.00 0.00 39.34 37.52 1hbm n TYR 92 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1hbm n PHE 93 N 3.95 -1.11 -1.74 -0.72 3.01 -1.24 -4.99 117.46 114.61 1hbm n PHE 93 Ca 0.42 0.17 -0.37 0.00 1.01 0.00 0.00 57.45 58.69 1hbm n PHE 93 Cb 0.36 -3.54 0.07 0.00 -0.01 0.00 0.00 39.48 36.35 1hbm n PHE 93 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hbm s ALA 94 N -2.92 2.38 0.02 4.37 0.00 -1.03 -4.70 121.76 119.87 1hbm s ALA 94 Ca 0.10 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 1hbm s ALA 94 Cb -0.04 -3.56 -0.18 0.00 0.00 0.00 0.00 23.12 19.34 1hbm s ALA 94 CO 0.12 -1.60 1.44 -1.00 0.00 0.00 0.00 175.76 174.72 1hbm h PRO 95 N 0.54 -0.01 -6.43 0.00 0.13 -1.85 -3.35 132.00 121.04 1hbm h PRO 95 Ca -0.51 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1hbm h PRO 95 Cb 1.34 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1hbm h PRO 95 CO 0.53 0.29 -0.27 0.00 -0.23 0.00 0.00 178.00 178.32 1hbm s ALA 96 N -4.98 3.94 0.17 -0.56 0.00 -1.26 -2.68 121.76 116.39 1hbm s ALA 96 Ca -0.15 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1hbm s ALA 96 Cb 0.03 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1hbm s ALA 96 CO 0.67 -0.05 0.31 -0.65 0.00 0.00 0.00 175.76 176.03 1hbm s GLN 97 N -4.25 1.21 0.08 0.00 -1.52 -1.26 -4.85 119.66 109.07 1hbm s GLN 97 Ca 0.42 -1.17 -0.31 0.00 -1.95 0.00 0.00 55.36 52.35 1hbm s GLN 97 Cb -0.10 0.39 -0.16 0.00 -0.22 0.00 0.00 33.01 32.92 1hbm s GLN 97 CO 0.33 -0.45 1.63 -1.35 -0.25 0.00 0.00 175.29 175.20 1hbm h PRO 98 N 2.49 -0.74 -0.18 2.91 0.11 -1.91 -0.95 132.00 133.73 1hbm h PRO 98 Ca -0.31 0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.71 1hbm h PRO 98 Cb 1.23 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 1hbm h PRO 98 CO 0.46 -0.49 -0.46 1.88 -0.21 0.00 0.00 178.00 179.18 1hbm h TYR 99 N -0.76 0.56 -0.51 0.65 -1.99 -1.97 -2.64 116.97 110.31 1hbm h TYR 99 Ca -0.06 -0.17 0.10 0.00 2.00 0.00 0.00 58.73 60.59 1hbm h TYR 99 Cb 0.62 -0.12 -0.08 0.00 2.00 0.00 0.00 36.73 39.15 1hbm h TYR 99 CO -0.09 0.84 0.02 0.28 -0.00 0.00 0.00 178.16 179.21 1hbm h VAL 100 N 0.37 0.62 0.48 -2.88 2.07 -1.92 -1.42 116.25 113.58 1hbm h VAL 100 Ca 0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1hbm h VAL 100 Cb 0.95 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1hbm h VAL 100 CO 0.08 0.03 -0.26 0.03 0.02 0.00 0.00 177.57 177.47 1hbm h ARG 101 N 0.14 -0.66 -0.91 1.57 3.08 -0.84 -0.90 114.38 115.87 1hbm h ARG 101 Ca 0.26 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1hbm h ARG 101 Cb 0.38 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 1hbm h ARG 101 CO -0.41 -0.44 0.51 0.77 -1.07 0.00 0.00 179.97 179.34 1hbm h SER 102 N -0.68 1.12 -0.26 7.04 0.02 -1.26 0.36 113.55 119.88 1hbm h SER 102 Ca -0.06 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1hbm h SER 102 Cb 0.54 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1hbm h SER 102 CO 0.09 0.89 0.15 0.03 -1.14 0.00 0.00 176.83 176.84 1hbm h ARG 103 N 1.26 0.30 -0.59 3.45 3.08 -1.26 -2.64 114.38 117.99 1hbm h ARG 103 Ca 0.32 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 1hbm h ARG 103 Cb 0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1hbm h ARG 103 CO -0.05 0.20 0.08 0.00 -1.07 0.00 0.00 179.97 179.12 1hbm h ALA 104 N 1.12 0.79 -0.74 0.04 0.00 -0.86 -2.88 119.26 116.72 1hbm h ALA 104 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hbm h ALA 104 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1hbm h ALA 104 CO -0.05 0.56 0.44 1.88 0.00 0.00 0.00 179.25 182.07 1hbm h TYR 105 N 0.89 0.98 -0.00 0.00 0.99 -0.78 -0.03 116.97 119.02 1hbm h TYR 105 Ca 0.18 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1hbm h TYR 105 Cb 0.45 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.86 1hbm h TYR 105 CO 0.03 0.66 -0.18 1.28 -0.00 0.00 0.00 178.16 179.95 1hbm n LEU 106 N -4.38 0.50 0.03 3.88 4.32 -1.01 -0.91 117.00 119.43 1hbm n LEU 106 Ca 0.08 0.03 -0.22 0.00 -0.02 0.00 0.00 56.01 55.88 1hbm n LEU 106 Cb 0.07 -0.23 -0.14 0.00 -1.62 0.00 0.00 43.42 41.50 1hbm n LEU 106 CO 0.37 0.10 -0.67 0.00 -1.22 0.00 0.00 177.39 175.98 1hbm h ARG 108 N 0.04 0.11 -6.62 0.00 3.08 -0.98 -3.46 114.38 106.55 1hbm h ARG 108 Ca -0.38 -0.18 -0.70 0.00 0.07 0.00 0.00 59.98 58.79 1hbm h ARG 108 Cb 2.03 0.07 -0.29 0.00 0.08 0.00 0.00 29.97 31.86 1hbm h ARG 108 CO 0.12 0.87 -0.89 0.71 -1.07 0.00 0.00 179.97 179.71 1hbm s TYR 109 N -2.63 2.32 0.36 3.04 4.12 -0.09 -5.08 117.35 119.39 1hbm s TYR 109 Ca -0.06 -0.43 -0.20 0.00 0.02 0.00 0.00 57.07 56.40 1hbm s TYR 109 Cb 0.08 -1.47 -0.10 0.00 -1.52 0.00 0.00 41.96 38.95 1hbm s TYR 109 CO 0.83 -0.00 0.87 1.03 0.02 0.00 0.00 175.55 178.29 1hbm s ARG 110 N -0.74 4.23 -1.08 -0.62 0.52 -1.26 -4.51 118.95 115.48 1hbm s ARG 110 Ca 0.10 1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 56.27 1hbm s ARG 110 Cb -0.10 -2.42 0.00 0.00 0.52 0.00 0.00 34.95 32.95 1hbm s ARG 110 CO -0.00 0.11 0.93 0.41 0.02 0.00 0.00 175.30 176.77 1hbm n GLY 111 N -0.23 -0.27 3.45 -3.53 0.00 -1.26 -4.96 105.19 98.39 1hbm n GLY 111 Ca 0.04 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1hbm n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hbm s ALA 112 N -3.28 2.75 -0.45 4.61 0.00 -1.26 -4.68 121.76 119.44 1hbm s ALA 112 Ca 0.28 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1hbm s ALA 112 Cb -0.12 -1.21 0.12 0.00 0.00 0.00 0.00 23.12 21.90 1hbm s ALA 112 CO 0.61 0.37 0.29 0.34 0.00 0.00 0.00 175.76 177.37 1hbm s ASP 113 N -0.09 5.51 -0.07 0.00 3.68 -0.79 -4.99 116.67 119.93 1hbm s ASP 113 Ca -0.01 -1.99 -0.02 0.00 2.13 0.00 0.00 52.55 52.66 1hbm s ASP 113 Cb -0.14 -1.93 -0.03 0.00 -1.45 0.00 0.00 42.92 39.37 1hbm s ASP 113 CO 0.03 -0.62 0.03 0.00 0.13 0.00 0.00 175.17 174.74 1hbm s ALA 114 N 1.22 3.38 -0.01 3.66 0.00 -1.26 -0.91 121.76 127.84 1hbm s ALA 114 Ca 0.07 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1hbm s ALA 114 Cb -0.24 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 1hbm s ALA 114 CO -0.02 0.61 -0.13 0.20 0.00 0.00 0.00 175.76 176.42 1hbm s GLY 115 N -1.07 0.63 -0.14 0.00 0.00 -0.23 -5.00 107.32 101.51 1hbm s GLY 115 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1hbm s GLY 115 CO 0.05 -0.40 -0.14 -1.59 0.00 0.00 0.00 173.10 171.02 1hbm s THR 116 N -0.20 2.87 0.27 0.90 2.01 -1.26 -1.19 115.64 119.03 1hbm s THR 116 Ca 0.03 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1hbm s THR 116 Cb -0.06 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1hbm s THR 116 CO -0.00 0.52 0.18 -0.76 -0.69 0.00 0.00 174.62 173.87 1hbm s LEU 117 N 0.50 1.49 0.20 4.42 1.02 -0.55 -5.02 118.68 120.74 1hbm s LEU 117 Ca -0.10 -1.55 0.02 0.00 0.02 0.00 0.00 54.13 52.53 1hbm s LEU 117 Cb -0.16 0.36 0.14 0.00 0.02 0.00 0.00 46.19 46.55 1hbm s LEU 117 CO 0.04 -0.91 1.48 0.77 0.02 0.00 0.00 176.35 177.75 1hbm h SER 118 N 2.35 0.34 -0.20 2.29 4.64 -2.01 -3.28 113.55 117.68 1hbm h SER 118 Ca -0.32 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1hbm h SER 118 Cb 1.24 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1hbm h SER 118 CO 0.48 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 1hbm n GLY 119 N 0.48 2.20 3.57 -0.77 0.00 -1.26 -4.88 105.19 104.52 1hbm n GLY 119 Ca -0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1hbm n GLY 119 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hbm s ARG 120 N -0.94 0.81 -0.03 1.61 1.70 -1.24 -4.56 118.95 116.29 1hbm s ARG 120 Ca 0.15 0.36 -0.02 0.00 -0.47 0.00 0.00 55.73 55.75 1hbm s ARG 120 Cb 0.08 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1hbm s ARG 120 CO 0.11 -0.22 0.08 -1.14 -1.08 0.00 0.00 175.30 173.05 1hbm s GLN 121 N -0.79 0.06 0.07 3.89 -0.44 -0.17 -1.49 119.66 120.79 1hbm s GLN 121 Ca -0.05 0.17 0.04 0.00 -2.50 0.00 0.00 55.36 53.03 1hbm s GLN 121 Cb -0.01 -0.07 -0.03 0.00 -1.64 0.00 0.00 33.01 31.26 1hbm s GLN 121 CO 0.04 -0.07 -0.12 -1.50 0.50 0.00 0.00 175.29 174.13 1hbm s ILE 122 N 0.49 0.98 -0.05 -2.34 2.07 -0.34 -1.33 121.20 120.68 1hbm s ILE 122 Ca -0.04 -1.31 0.02 0.00 -1.41 0.00 0.00 60.65 57.91 1hbm s ILE 122 Cb -0.05 -1.02 0.01 0.00 0.13 0.00 0.00 42.46 41.52 1hbm s ILE 122 CO -0.02 -0.31 -0.09 -0.51 -1.91 0.00 0.00 174.94 172.10 1hbm s ILE 123 N -1.47 0.88 -0.13 2.00 2.07 -1.04 -1.07 121.20 122.44 1hbm s ILE 123 Ca -0.02 -0.36 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1hbm s ILE 123 Cb -0.09 -0.82 -0.00 0.00 0.13 0.00 0.00 42.46 41.68 1hbm s ILE 123 CO 0.02 0.29 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.54 1hbm s GLU 124 N 0.54 3.16 0.37 3.50 2.02 -0.09 -2.37 118.70 125.84 1hbm s GLU 124 Ca -0.10 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 53.97 1hbm s GLU 124 Cb -0.13 -2.49 0.05 0.00 0.10 0.00 0.00 34.13 31.66 1hbm s GLU 124 CO 0.02 0.11 0.72 -2.37 0.02 0.00 0.00 175.26 173.75 1hbm n THR 125 N 3.78 0.00 -1.90 3.63 5.66 -0.78 -1.88 114.28 122.79 1hbm n THR 125 Ca -0.19 -1.06 -0.40 0.00 -3.05 0.00 0.00 64.05 59.35 1hbm n THR 125 Cb 0.52 0.97 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 1hbm n THR 125 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1hbm s ARG 126 N -2.18 3.91 0.12 1.09 1.81 -1.26 -1.32 118.95 121.11 1hbm s ARG 126 Ca 0.17 2.35 -0.21 0.00 -1.72 0.00 0.00 55.73 56.33 1hbm s ARG 126 Cb -0.04 -2.78 -0.06 0.00 -0.45 0.00 0.00 34.95 31.61 1hbm s ARG 126 CO 0.13 -0.61 1.71 1.49 -0.68 0.00 0.00 175.30 177.34 1hbm h GLU 127 N 2.65 0.00 0.00 3.54 4.81 -1.50 0.21 114.58 124.28 1hbm h GLU 127 Ca -0.50 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 1hbm h GLU 127 Cb 1.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1hbm h GLU 127 CO 0.62 0.00 -0.34 0.07 -0.73 0.00 0.00 179.01 178.63 1hbm h ARG 128 N 0.00 0.00 -0.01 1.92 0.11 -1.91 -2.05 114.38 112.45 1hbm h ARG 128 Ca 0.07 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.94 1hbm h ARG 128 Cb 0.10 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 1hbm h ARG 128 CO -0.15 0.34 -0.89 -0.44 0.10 0.00 0.00 179.97 178.93 1hbm h ASP 129 N 0.00 0.46 -0.88 0.08 5.19 -1.77 -3.07 116.42 116.42 1hbm h ASP 129 Ca -0.00 -0.36 0.04 0.00 -0.62 0.00 0.00 57.03 56.09 1hbm h ASP 129 Cb 0.61 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.92 1hbm h ASP 129 CO 0.04 1.15 0.57 0.25 -3.12 0.00 0.00 179.24 178.13 1hbm h LEU 130 N 0.21 0.94 -0.45 1.55 5.85 -0.51 -1.60 115.31 121.29 1hbm h LEU 130 Ca -0.06 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1hbm h LEU 130 Cb 1.52 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1hbm h LEU 130 CO 0.15 0.64 0.22 -0.33 -0.34 0.00 0.00 178.44 178.77 1hbm h GLU 131 N 1.09 0.42 -0.50 1.25 5.08 -1.30 0.10 114.58 120.73 1hbm h GLU 131 Ca 0.36 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.65 1hbm h GLU 131 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1hbm h GLU 131 CO -0.12 0.28 0.16 0.87 -1.00 0.00 0.00 179.01 179.19 1hbm h LYS 132 N 0.43 0.77 -0.46 2.33 1.57 -1.38 -2.47 116.57 117.36 1hbm h LYS 132 Ca 0.20 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1hbm h LYS 132 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1hbm h LYS 132 CO -0.15 0.72 0.29 0.82 -0.57 0.00 0.00 179.45 180.56 1hbm h ILE 133 N 0.67 1.13 -0.87 1.86 2.04 -1.08 -3.15 117.51 118.11 1hbm h ILE 133 Ca 0.16 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1hbm h ILE 133 Cb 0.27 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1hbm h ILE 133 CO -0.01 0.13 0.49 0.28 0.00 0.00 0.00 178.15 179.04 1hbm h SER 134 N 0.61 1.07 -0.46 1.72 0.02 -0.66 -0.72 113.55 115.14 1hbm h SER 134 Ca 0.17 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1hbm h SER 134 Cb -0.04 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.16 1hbm h SER 134 CO -0.03 0.85 0.02 0.50 -1.14 0.00 0.00 176.83 177.03 1hbm h LYS 135 N 1.21 0.14 -0.73 3.45 1.63 -1.41 -0.23 116.57 120.63 1hbm h LYS 135 Ca 0.31 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1hbm h LYS 135 Cb 0.01 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1hbm h LYS 135 CO -0.05 0.09 0.28 1.49 -3.45 0.00 0.00 179.45 177.80 1hbm h GLU 136 N 0.14 1.10 -0.34 1.90 4.81 -1.34 -0.01 114.58 120.85 1hbm h GLU 136 Ca 0.23 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1hbm h GLU 136 Cb 0.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1hbm h GLU 136 CO -0.36 0.92 0.08 -0.07 -0.73 0.00 0.00 179.01 178.84 1hbm h LEU 137 N 1.06 0.45 0.07 1.64 3.38 -0.62 -2.65 115.31 118.63 1hbm h LEU 137 Ca 0.24 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.86 1hbm h LEU 137 Cb 0.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1hbm h LEU 137 CO -0.02 0.46 -1.57 -0.07 0.09 0.00 0.00 178.44 177.34 1hbm h LEU 138 N 0.49 0.24 0.00 1.67 3.38 -0.75 -3.34 115.31 117.00 1hbm h LEU 138 Ca 0.11 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1hbm h LEU 138 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hbm h LEU 138 CO -0.00 1.32 -0.49 -0.33 0.09 0.00 0.00 178.44 179.02 1hbm h GLU 139 N 0.04 0.00 0.00 1.13 5.08 -0.99 -3.45 114.58 116.40 1hbm h GLU 139 Ca -0.25 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.89 1hbm h GLU 139 Cb 1.99 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.25 1hbm h GLU 139 CO 0.13 0.25 -0.02 0.25 -1.00 0.00 0.00 179.01 178.62 1hbm n THR 140 N -3.08 0.00 1.22 1.13 -2.24 -1.00 -0.75 114.28 109.56 1hbm n THR 140 Ca 0.01 -0.88 0.07 0.00 -2.27 0.00 0.00 64.05 60.98 1hbm n THR 140 Cb 0.66 -0.81 0.41 0.00 -2.10 0.00 0.00 70.33 68.49 1hbm n THR 140 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1hbm n GLU 141 N -1.62 0.61 0.26 -0.78 0.28 -0.24 -1.46 120.64 117.70 1hbm n GLU 141 Ca 0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.20 1hbm n GLU 141 Cb 0.28 -1.36 0.78 0.00 1.43 0.00 0.00 31.44 32.58 1hbm n GLU 141 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1hbm h PHE 142 N 0.00 0.00 -3.92 -1.84 -1.00 -1.87 -3.40 116.94 104.91 1hbm h PHE 142 Ca 0.00 0.00 -0.62 0.00 2.81 0.00 0.00 57.97 60.16 1hbm h PHE 142 Cb 0.00 0.00 -0.31 0.00 3.61 0.00 0.00 35.95 39.25 1hbm h PHE 142 CO 0.00 0.00 -0.86 0.12 -1.61 0.00 0.00 178.31 175.96 1hbm s PHE 143 N -4.83 2.05 -0.07 -0.55 5.36 -0.53 -4.14 117.98 115.26 1hbm s PHE 143 Ca -0.05 -0.61 0.04 0.00 -0.96 0.00 0.00 56.93 55.35 1hbm s PHE 143 Cb 0.16 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 41.48 1hbm s PHE 143 CO 0.61 -0.20 -0.19 0.34 -1.46 0.00 0.00 175.22 174.32 1hbm s ASP 144 N -0.03 2.46 0.04 6.13 2.15 -1.26 -4.86 116.67 121.29 1hbm s ASP 144 Ca -0.04 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 52.74 1hbm s ASP 144 Cb -0.13 -0.98 0.93 0.00 -0.30 0.00 0.00 42.92 42.45 1hbm s ASP 144 CO 0.03 0.13 1.71 -0.81 -0.17 0.00 0.00 175.17 176.06 1hbm n PRO 145 N 3.46 0.04 -0.09 4.34 -0.04 -1.26 -0.76 135.00 140.68 1hbm n PRO 145 Ca -0.20 0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.19 1hbm n PRO 145 Cb 0.52 -1.55 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 1hbm n PRO 145 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hbm n ALA 146 N -1.54 1.08 0.98 0.55 0.00 -1.26 -4.66 120.51 115.66 1hbm n ALA 146 Ca 0.05 -0.82 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1hbm n ALA 146 Cb 0.27 -0.31 0.08 0.00 0.00 0.00 0.00 19.45 19.49 1hbm n ALA 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hbm n ARG 147 N -3.84 2.12 -4.24 0.00 5.12 -1.16 -1.61 116.66 113.05 1hbm n ARG 147 Ca -0.41 -1.77 -0.19 0.00 -1.93 0.00 0.00 57.85 53.55 1hbm n ARG 147 Cb 0.91 -1.46 -0.11 0.00 -1.16 0.00 0.00 32.46 30.64 1hbm n ARG 147 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1hbm s SER 148 N -2.04 2.04 -0.02 0.55 0.15 0.06 -0.56 113.70 113.87 1hbm s SER 148 Ca 0.26 -0.75 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 1hbm s SER 148 Cb 0.19 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.43 1hbm s SER 148 CO 0.34 -0.09 0.12 -0.83 1.20 0.00 0.00 173.24 173.98 1hbm s GLY 149 N -2.23 -0.01 -0.43 9.45 0.00 -0.11 -4.56 107.32 109.43 1hbm s GLY 149 Ca 0.06 0.08 -0.20 0.00 0.00 0.00 0.00 44.72 44.66 1hbm s GLY 149 CO 0.03 -0.02 0.59 0.14 0.00 0.00 0.00 173.10 173.84 1hbm s VAL 150 N -0.69 4.90 -0.16 1.40 1.01 -1.26 -1.13 120.40 124.47 1hbm s VAL 150 Ca -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1hbm s VAL 150 Cb -0.05 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1hbm s VAL 150 CO 0.01 -0.53 0.20 -0.13 0.00 0.00 0.00 175.10 174.64 1hbm s ARG 151 N 2.63 0.13 0.00 2.72 0.52 0.03 -4.63 118.95 120.36 1hbm s ARG 151 Ca 0.20 0.35 0.26 0.00 -0.52 0.00 0.00 55.73 56.02 1hbm s ARG 151 Cb -0.15 -0.85 0.75 0.00 0.52 0.00 0.00 34.95 35.22 1hbm s ARG 151 CO 0.17 -0.51 1.58 0.41 0.02 0.00 0.00 175.30 176.97 1hbm n GLY 152 N 5.32 -1.13 3.65 -3.53 0.00 0.15 -4.53 105.19 105.12 1hbm n GLY 152 Ca -0.05 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 1hbm n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hbm s LYS 153 N -2.84 1.29 -0.91 1.61 -2.85 -1.26 -4.97 119.74 109.81 1hbm s LYS 153 Ca 0.16 -0.63 -0.06 0.00 -1.00 0.00 0.00 55.97 54.44 1hbm s LYS 153 Cb 0.18 0.50 -0.01 0.00 -2.06 0.00 0.00 37.83 36.44 1hbm s LYS 153 CO 0.61 -0.58 0.74 0.43 0.10 0.00 0.00 175.35 176.65 1hbm n SER 154 N -0.40 -6.39 -0.42 0.03 7.64 -1.26 -4.92 113.62 107.91 1hbm n SER 154 Ca -0.09 -0.60 0.13 0.00 1.01 0.00 0.00 58.87 59.32 1hbm n SER 154 Cb 0.61 -4.03 0.28 0.00 -1.01 0.00 0.00 64.21 60.06 1hbm n SER 154 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1hbm n VAL 155 N -2.79 0.00 -1.32 0.44 0.24 -1.26 -4.60 118.33 109.04 1hbm n VAL 155 Ca -0.10 -0.22 -0.48 0.00 -2.04 0.00 0.00 64.34 61.50 1hbm n VAL 155 Cb 0.58 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 1hbm n VAL 155 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1hbm n HIS 156 N -0.17 0.03 0.00 6.34 -0.00 -1.26 -4.43 115.22 115.73 1hbm n HIS 156 Ca 0.13 0.92 0.00 0.00 -0.00 0.00 0.00 57.72 58.77 1hbm n HIS 156 Cb 0.40 -1.84 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 1hbm n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1hbm n GLY 157 N 1.61 0.74 0.36 1.57 0.00 -1.26 -4.51 105.19 103.70 1hbm n GLY 157 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1hbm n GLY 157 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1hbm h HIS 158 N 0.00 0.66 -0.47 1.61 2.07 -1.83 -1.96 115.15 115.23 1hbm h HIS 158 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1hbm h HIS 158 Cb 0.00 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 29.77 1hbm h HIS 158 CO 0.00 0.30 0.00 -1.13 -3.07 0.00 0.00 177.93 174.03 1hbm n SER 159 N -4.50 3.31 -4.90 3.10 3.41 -1.26 -0.95 113.62 111.83 1hbm n SER 159 Ca 0.13 -1.96 -0.29 0.00 -0.26 0.00 0.00 58.87 56.49 1hbm n SER 159 Cb 0.37 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1hbm n SER 159 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hbm s LEU 160 N -1.06 4.07 0.76 1.04 1.02 -0.74 -5.04 118.68 118.73 1hbm s LEU 160 Ca 0.34 0.73 -0.15 0.00 0.02 0.00 0.00 54.13 55.07 1hbm s LEU 160 Cb 0.18 -3.54 0.05 0.00 0.02 0.00 0.00 46.19 42.91 1hbm s LEU 160 CO 0.24 -0.18 1.22 -0.13 0.02 0.00 0.00 176.35 177.53 1hbm s ARG 161 N -3.46 1.95 0.61 1.70 0.52 -1.26 -4.91 118.95 114.10 1hbm s ARG 161 Ca 0.44 1.82 -0.10 0.00 -0.52 0.00 0.00 55.73 57.37 1hbm s ARG 161 Cb -0.11 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1hbm s ARG 161 CO 0.29 -2.00 1.01 -0.51 0.02 0.00 0.00 175.30 174.11 1hbm s LEU 162 N -5.30 3.25 0.00 2.53 1.43 -1.26 -4.54 118.68 114.79 1hbm s LEU 162 Ca 0.75 1.34 -0.16 0.00 -1.03 0.00 0.00 54.13 55.04 1hbm s LEU 162 Cb -0.31 -4.36 0.21 0.00 0.03 0.00 0.00 46.19 41.76 1hbm s LEU 162 CO 0.47 -0.87 1.24 -0.90 0.23 0.00 0.00 176.35 176.52 1hbm n ASP 163 N -2.71 0.07 0.28 2.29 5.68 -0.66 -4.89 116.55 116.61 1hbm n ASP 163 Ca 0.05 -1.45 0.17 0.00 -0.50 0.00 0.00 54.79 53.07 1hbm n ASP 163 Cb 0.54 -0.95 0.78 0.00 -1.14 0.00 0.00 41.12 40.35 1hbm n ASP 163 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1hbm h GLU 164 N 0.00 0.00 -0.02 0.11 4.81 -1.98 -0.89 114.58 116.60 1hbm h GLU 164 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1hbm h GLU 164 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1hbm h GLU 164 CO 0.28 0.05 0.00 -0.25 -0.73 0.00 0.00 179.01 178.36 1hbm n ASP 165 N -3.21 0.93 -0.06 1.04 8.00 -1.26 -4.92 116.55 117.07 1hbm n ASP 165 Ca -0.01 -1.34 -0.01 0.00 0.71 0.00 0.00 54.79 54.15 1hbm n ASP 165 Cb 0.26 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1hbm n ASP 165 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hbm n GLY 166 N 1.09 0.48 3.84 0.44 0.00 -0.34 -5.04 105.19 105.67 1hbm n GLY 166 Ca 0.20 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1hbm n GLY 166 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1hbm s MET 167 N -1.01 3.99 0.49 1.61 -1.94 -1.26 -4.66 119.30 116.52 1hbm s MET 167 Ca 0.00 0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 54.28 1hbm s MET 167 Cb 0.00 -2.93 -0.07 0.00 2.01 0.00 0.00 34.83 33.83 1hbm s MET 167 CO 0.00 0.48 1.11 1.41 -0.01 0.00 0.00 175.02 178.01 1hbm s MET 168 N -1.95 3.68 0.40 2.03 -2.45 -0.63 -1.65 119.30 118.73 1hbm s MET 168 Ca 0.38 1.59 -0.25 0.00 -1.25 0.00 0.00 55.69 56.16 1hbm s MET 168 Cb -0.15 -2.21 -0.11 0.00 1.25 0.00 0.00 34.83 33.61 1hbm s MET 168 CO 0.19 -0.58 1.09 0.34 1.05 0.00 0.00 175.02 177.12 1hbm n PHE 169 N -0.82 1.50 -3.51 4.11 7.35 -1.26 -4.90 117.46 119.92 1hbm n PHE 169 Ca 0.09 0.56 -0.16 0.00 -0.76 0.00 0.00 57.45 57.18 1hbm n PHE 169 Cb 0.50 -2.28 -0.12 0.00 0.35 0.00 0.00 39.48 37.93 1hbm n PHE 169 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1hbm s ASP 170 N -0.65 0.96 0.40 -2.13 -1.08 -1.26 -4.55 116.67 108.36 1hbm s ASP 170 Ca 0.62 0.04 0.17 0.00 -0.52 0.00 0.00 52.55 52.86 1hbm s ASP 170 Cb -0.56 0.56 1.07 0.00 -1.46 0.00 0.00 42.92 42.53 1hbm s ASP 170 CO 0.58 -0.30 1.80 -0.03 0.52 0.00 0.00 175.17 177.74 1hbm h MET 171 N 8.29 0.42 -0.34 4.34 1.85 -1.81 -1.47 114.93 126.20 1hbm h MET 171 Ca -0.17 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.90 1hbm h MET 171 Cb 1.14 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.08 1hbm h MET 171 CO 0.24 0.28 0.00 1.28 -0.40 0.00 0.00 176.91 178.31 1hbm n LEU 172 N -4.59 3.08 -4.00 3.39 4.77 -1.26 -5.02 117.00 113.37 1hbm n LEU 172 Ca 0.23 -1.60 -0.44 0.00 -0.03 0.00 0.00 56.01 54.18 1hbm n LEU 172 Cb 0.79 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 1hbm n LEU 172 CO 0.27 0.70 -0.15 0.54 -1.33 0.00 0.00 177.39 177.42 1hbm n ARG 173 N 1.08 -0.46 0.13 3.23 1.74 -0.56 -4.87 116.66 116.95 1hbm n ARG 173 Ca 0.15 0.15 0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1hbm n ARG 173 Cb 0.50 -2.87 0.10 0.00 -1.02 0.00 0.00 32.46 29.16 1hbm n ARG 173 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hbm h ARG 174 N -2.48 0.00 -4.94 5.56 3.08 -1.93 -3.43 114.38 110.24 1hbm h ARG 174 Ca -0.71 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 58.68 1hbm h ARG 174 Cb 1.40 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 31.09 1hbm h ARG 174 CO 0.51 0.61 -0.83 -0.65 -1.07 0.00 0.00 179.97 178.54 1hbm s GLN 175 N -3.18 2.58 -0.19 0.04 -0.21 -1.26 -1.36 119.66 116.07 1hbm s GLN 175 Ca 0.01 -1.07 -0.04 0.00 0.02 0.00 0.00 55.36 54.28 1hbm s GLN 175 Cb 0.10 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.39 1hbm s GLN 175 CO 0.75 -0.39 -0.02 0.42 -2.12 0.00 0.00 175.29 173.93 1hbm s ILE 176 N 1.21 3.81 -0.06 1.08 -1.09 0.25 -4.94 121.20 121.46 1hbm s ILE 176 Ca -0.02 -0.37 -0.24 0.00 -2.23 0.00 0.00 60.65 57.80 1hbm s ILE 176 Cb -0.16 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.97 1hbm s ILE 176 CO -0.09 0.44 0.71 -0.47 -1.23 0.00 0.00 174.94 174.31 1hbm s TYR 177 N 0.94 3.58 -0.32 3.97 5.04 -1.26 -1.42 117.35 127.88 1hbm s TYR 177 Ca 0.01 1.27 -0.12 0.00 -2.44 0.00 0.00 57.07 55.78 1hbm s TYR 177 Cb -0.14 -2.82 -0.03 0.00 0.35 0.00 0.00 41.96 39.32 1hbm s TYR 177 CO 0.01 0.08 0.24 1.21 -1.34 0.00 0.00 175.55 175.75 1hbm s ASN 178 N 0.81 6.06 0.43 4.32 3.84 -0.84 -4.97 114.94 124.59 1hbm s ASN 178 Ca 0.38 -0.25 0.17 0.00 0.21 0.00 0.00 52.86 53.37 1hbm s ASN 178 Cb -0.18 -2.14 0.97 0.00 -0.55 0.00 0.00 41.25 39.36 1hbm s ASN 178 CO 0.19 -0.18 1.93 0.11 -2.79 0.00 0.00 177.10 176.36 1hbm h LYS 179 N 8.44 0.00 0.00 0.43 1.57 -1.97 0.21 116.57 125.25 1hbm h LYS 179 Ca -0.32 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 1hbm h LYS 179 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1hbm h LYS 179 CO 0.61 0.25 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.88 1hbm h ASP 180 N 0.00 0.00 0.00 0.86 3.45 -1.98 -3.38 116.42 115.38 1hbm h ASP 180 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1hbm h ASP 180 Cb 0.49 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1hbm h ASP 180 CO 0.03 0.42 -1.33 0.35 -1.57 0.00 0.00 179.24 177.15 1hbm n THR 181 N -3.35 0.08 -0.99 0.35 -2.24 -0.86 -5.02 114.28 102.26 1hbm n THR 181 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1hbm n THR 181 Cb 0.62 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1hbm n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hbm n GLY 182 N 2.22 0.46 3.61 3.38 0.00 0.01 -5.02 105.19 109.85 1hbm n GLY 182 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1hbm n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hbm s ARG 183 N -0.31 2.21 -0.10 1.61 0.52 -1.26 -4.30 118.95 117.32 1hbm s ARG 183 Ca 0.00 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 1hbm s ARG 183 Cb 0.00 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.26 1hbm s ARG 183 CO 0.00 0.40 -0.04 0.08 0.02 0.00 0.00 175.30 175.76 1hbm s VAL 184 N -2.01 3.92 0.01 3.52 1.01 -0.07 -1.99 120.40 124.79 1hbm s VAL 184 Ca 0.28 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1hbm s VAL 184 Cb -0.08 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1hbm s VAL 184 CO 0.18 0.56 -0.20 -1.61 0.00 0.00 0.00 175.10 174.03 1hbm s GLU 185 N -0.40 2.14 -0.43 2.72 2.02 -0.51 -0.73 118.70 123.51 1hbm s GLU 185 Ca 0.06 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.89 1hbm s GLU 185 Cb -0.12 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 31.95 1hbm s GLU 185 CO 0.02 0.56 0.83 1.41 0.02 0.00 0.00 175.26 178.10 1hbm s MET 186 N -1.11 3.55 0.00 1.61 -2.45 -0.05 -0.58 119.30 120.27 1hbm s MET 186 Ca 0.13 0.11 0.23 0.00 -1.25 0.00 0.00 55.69 54.90 1hbm s MET 186 Cb -0.10 -3.90 0.10 0.00 1.25 0.00 0.00 34.83 32.18 1hbm s MET 186 CO 0.03 -1.07 1.13 1.33 1.05 0.00 0.00 175.02 177.49 1hbm n VAL 187 N 6.12 0.00 -4.12 10.11 0.24 -0.47 -1.39 118.33 128.83 1hbm n VAL 187 Ca 0.04 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.22 1hbm n VAL 187 Cb 0.48 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1hbm n VAL 187 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1hbm s LYS 188 N -2.96 0.69 1.07 7.34 1.02 -1.23 -1.31 119.74 124.37 1hbm s LYS 188 Ca 0.10 -1.17 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 1hbm s LYS 188 Cb 0.17 -0.08 0.24 0.00 -0.52 0.00 0.00 37.83 37.64 1hbm s LYS 188 CO 0.78 -0.03 1.24 0.54 -0.92 0.00 0.00 175.35 176.95 1hbm s ASN 189 N -2.68 2.13 0.57 2.83 2.20 0.10 -4.85 114.94 115.23 1hbm s ASN 189 Ca 0.05 0.38 0.35 0.00 -0.94 0.00 0.00 52.86 52.71 1hbm s ASN 189 Cb 0.03 -0.48 1.51 0.00 -2.00 0.00 0.00 41.25 40.31 1hbm s ASN 189 CO -0.05 -3.36 2.04 0.06 -2.94 0.00 0.00 177.10 172.85 1hbm h GLN 190 N -2.06 0.00 -0.01 3.55 3.07 -1.43 -1.48 115.11 116.74 1hbm h GLN 190 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1hbm h GLN 190 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 1hbm h GLN 190 CO 0.35 0.00 -0.26 1.51 0.09 0.00 0.00 178.83 180.52 1hbm n ILE 191 N -3.09 0.00 0.00 1.86 0.13 -1.26 -0.67 119.36 116.33 1hbm n ILE 191 Ca 0.00 -0.12 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1hbm n ILE 191 Cb 0.27 0.36 0.00 0.00 -0.84 0.00 0.00 39.64 39.43 1hbm n ILE 191 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1hbm n GLY 192 N 1.34 1.08 3.80 4.50 0.00 -0.56 -4.84 105.19 110.52 1hbm n GLY 192 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1hbm n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hbm s ASP 193 N -2.00 7.14 0.24 1.61 1.01 -1.26 -4.79 116.67 118.62 1hbm s ASP 193 Ca 0.00 1.40 -0.30 0.00 0.71 0.00 0.00 52.55 54.36 1hbm s ASP 193 Cb 0.00 -2.41 -0.11 0.00 1.01 0.00 0.00 42.92 41.41 1hbm s ASP 193 CO 0.00 0.17 1.53 -1.61 0.21 0.00 0.00 175.17 175.47 1hbm s GLU 194 N -1.44 4.21 0.23 8.23 2.02 -1.26 -0.72 118.70 129.96 1hbm s GLU 194 Ca 0.36 2.41 -0.22 0.00 0.02 0.00 0.00 54.97 57.54 1hbm s GLU 194 Cb -0.19 -3.09 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 1hbm s GLU 194 CO 0.22 -0.54 0.77 -0.51 0.02 0.00 0.00 175.26 175.22 1hbm s LEU 195 N 0.03 4.38 0.15 1.80 1.43 -0.43 -4.83 118.68 121.21 1hbm s LEU 195 Ca 0.64 1.53 -0.32 0.00 -1.03 0.00 0.00 54.13 54.95 1hbm s LEU 195 Cb -0.44 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 1hbm s LEU 195 CO 0.41 0.04 1.54 -2.24 0.23 0.00 0.00 176.35 176.34 1hbm h ASP 196 N 3.53 -2.04 -3.39 2.29 2.03 -1.94 -3.41 116.42 113.49 1hbm h ASP 196 Ca -0.48 0.29 -0.46 0.00 -0.73 0.00 0.00 57.03 55.65 1hbm h ASP 196 Cb 1.20 0.88 -0.35 0.00 -0.83 0.00 0.00 39.33 40.23 1hbm h ASP 196 CO 0.65 -0.30 -0.79 -1.61 -1.03 0.00 0.00 179.24 176.16 1hbm s GLU 197 N -5.56 1.21 0.80 4.15 2.02 -1.26 -5.15 118.70 114.91 1hbm s GLU 197 Ca -0.13 -0.22 -0.13 0.00 0.02 0.00 0.00 54.97 54.52 1hbm s GLU 197 Cb 0.10 -1.16 0.08 0.00 0.10 0.00 0.00 34.13 33.25 1hbm s GLU 197 CO 0.62 -0.09 1.17 -2.14 0.02 0.00 0.00 175.26 174.84 1hbm s PRO 198 N 1.03 1.78 -0.21 0.39 0.02 -1.26 -5.02 135.00 131.73 1hbm s PRO 198 Ca -0.09 1.62 -0.04 0.00 0.02 0.00 0.00 61.00 62.51 1hbm s PRO 198 Cb -0.14 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 1hbm s PRO 198 CO -0.00 -2.08 -0.02 0.08 -0.33 0.00 0.00 177.00 174.65 1hbm s VAL 199 N -2.31 3.72 0.21 3.83 1.01 -0.49 -4.92 120.40 121.46 1hbm s VAL 199 Ca 0.70 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 1hbm s VAL 199 Cb -0.26 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.34 1hbm s VAL 199 CO 0.51 0.43 1.43 -0.62 0.00 0.00 0.00 175.10 176.84 1hbm s ASP 200 N 1.17 6.71 0.00 3.32 -1.08 -1.26 -0.87 116.67 124.66 1hbm s ASP 200 Ca 0.03 2.56 0.04 0.00 -0.52 0.00 0.00 52.55 54.65 1hbm s ASP 200 Cb -0.14 -2.61 0.08 0.00 -1.46 0.00 0.00 42.92 38.79 1hbm s ASP 200 CO 0.00 -0.68 0.96 0.18 0.52 0.00 0.00 175.17 176.15 1hbm n LEU 201 N 2.86 2.04 0.00 -1.34 4.77 0.09 -4.91 117.00 120.51 1hbm n LEU 201 Ca 0.08 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.33 1hbm n LEU 201 Cb 0.41 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1hbm n LEU 201 CO 0.60 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1hbm n GLY 202 N -0.06 -2.67 3.81 -0.72 0.00 -1.24 -4.71 105.19 99.60 1hbm n GLY 202 Ca 0.03 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 1hbm n GLY 202 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hbm s GLU 203 N -0.64 4.28 0.46 1.61 2.02 -1.26 -0.89 118.70 124.27 1hbm s GLU 203 Ca 0.00 0.95 -0.24 0.00 0.02 0.00 0.00 54.97 55.69 1hbm s GLU 203 Cb 0.00 -2.74 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1hbm s GLU 203 CO 0.00 0.30 1.29 -2.30 0.02 0.00 0.00 175.26 174.58 1hbm n PRO 204 N 0.42 1.89 -1.91 0.39 -0.02 -1.26 -4.77 135.00 129.73 1hbm n PRO 204 Ca 0.00 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 1hbm n PRO 204 Cb 0.51 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1hbm n PRO 204 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hbm s LEU 205 N -2.12 4.03 0.84 2.45 1.43 -1.26 -5.02 118.68 119.04 1hbm s LEU 205 Ca 0.63 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 56.33 1hbm s LEU 205 Cb -0.48 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 41.75 1hbm s LEU 205 CO 0.56 -1.21 1.15 1.51 0.23 0.00 0.00 176.35 178.59 1hbm s ASP 206 N -0.84 4.15 0.14 2.29 3.84 -1.26 -4.77 116.67 120.22 1hbm s ASP 206 Ca 0.64 0.91 -0.18 0.00 -0.00 0.00 0.00 52.55 53.93 1hbm s ASP 206 Cb -0.39 -1.48 -0.02 0.00 -1.38 0.00 0.00 42.92 39.65 1hbm s ASP 206 CO 0.49 -2.14 1.79 -0.08 -0.00 0.00 0.00 175.17 175.23 1hbm h GLU 207 N -1.22 0.37 -0.92 2.11 4.81 -1.99 -0.30 114.58 117.44 1hbm h GLU 207 Ca -0.48 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1hbm h GLU 207 Cb 1.32 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1hbm h GLU 207 CO 0.64 0.25 0.59 1.49 -0.73 0.00 0.00 179.01 181.25 1hbm h GLU 208 N 0.39 1.09 -0.18 1.92 4.57 -1.99 -1.21 114.58 119.17 1hbm h GLU 208 Ca 0.11 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 58.02 1hbm h GLU 208 Cb -0.03 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.32 1hbm h GLU 208 CO -0.03 0.72 -0.69 1.15 -1.18 0.00 0.00 179.01 178.98 1hbm h THR 209 N 1.13 1.28 -0.47 0.32 2.02 -1.75 -2.11 112.91 113.33 1hbm h THR 209 Ca 0.38 -1.89 0.07 0.00 0.77 0.00 0.00 66.41 65.74 1hbm h THR 209 Cb 0.06 1.92 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 1hbm h THR 209 CO -0.14 0.60 0.12 -0.07 0.37 0.00 0.00 175.52 176.41 1hbm h LEU 210 N 0.52 0.07 -1.28 2.58 3.38 -0.88 -1.76 115.31 117.94 1hbm h LEU 210 Ca -0.04 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1hbm h LEU 210 Cb 1.32 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1hbm h LEU 210 CO 0.15 0.07 0.52 0.24 0.09 0.00 0.00 178.44 179.50 1hbm h MET 211 N 0.27 0.86 -0.13 1.13 2.86 -1.14 -1.27 114.93 117.51 1hbm h MET 211 Ca 0.23 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1hbm h MET 211 Cb 0.28 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1hbm h MET 211 CO -0.28 0.57 -0.35 0.93 1.06 0.00 0.00 176.91 178.84 1hbm h GLU 212 N 0.88 0.27 -0.01 1.72 4.39 -0.73 -3.32 114.58 117.78 1hbm h GLU 212 Ca 0.34 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1hbm h GLU 212 Cb 0.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1hbm h GLU 212 CO -0.12 0.59 -0.57 1.63 -1.16 0.00 0.00 179.01 179.38 1hbm n LYS 213 N -4.07 1.47 -2.35 2.33 5.02 -0.72 -4.93 118.16 114.91 1hbm n LYS 213 Ca -0.01 -0.47 -0.34 0.00 -2.02 0.00 0.00 58.31 55.47 1hbm n LYS 213 Cb 0.44 -1.32 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1hbm n LYS 213 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1hbm s THR 214 N -2.32 3.66 -0.98 -0.18 -1.32 -0.53 -4.64 115.64 109.34 1hbm s THR 214 Ca 0.11 0.97 0.10 0.00 -1.21 0.00 0.00 61.69 61.65 1hbm s THR 214 Cb 0.14 -3.39 0.20 0.00 -1.51 0.00 0.00 72.50 67.94 1hbm s THR 214 CO 0.57 -0.29 1.08 0.35 -2.21 0.00 0.00 174.62 174.11 1hbm n THR 215 N -1.32 0.63 -3.45 5.08 -2.24 -1.09 -4.36 114.28 107.53 1hbm n THR 215 Ca 0.10 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.68 1hbm n THR 215 Cb 0.52 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.45 1hbm n THR 215 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1hbm s ILE 216 N -0.94 5.06 -0.00 2.28 2.07 -1.26 -4.97 121.20 123.45 1hbm s ILE 216 Ca 0.17 0.87 -0.20 0.00 -1.41 0.00 0.00 60.65 60.08 1hbm s ILE 216 Cb 0.10 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.89 1hbm s ILE 216 CO 0.13 0.51 0.58 -0.31 -1.91 0.00 0.00 174.94 173.94 1hbm s TYR 217 N -0.60 3.69 0.07 3.50 1.51 -1.26 -4.78 117.35 119.47 1hbm s TYR 217 Ca 0.24 1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 57.33 1hbm s TYR 217 Cb -0.16 -2.58 0.03 0.00 -0.11 0.00 0.00 41.96 39.13 1hbm s TYR 217 CO 0.12 0.38 0.36 1.03 -1.11 0.00 0.00 175.55 176.34 1hbm s ARG 218 N -0.28 0.92 0.45 -0.62 0.52 -0.69 -4.75 118.95 114.51 1hbm s ARG 218 Ca 0.30 -0.53 0.15 0.00 -0.52 0.00 0.00 55.73 55.13 1hbm s ARG 218 Cb -0.18 0.40 1.04 0.00 0.52 0.00 0.00 34.95 36.73 1hbm s ARG 218 CO 0.17 -0.32 2.00 -0.24 0.02 0.00 0.00 175.30 176.93 1hbm h VAL 219 N 2.88 1.09 -0.53 3.52 3.04 -1.97 -1.50 116.25 122.78 1hbm h VAL 219 Ca -0.32 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1hbm h VAL 219 Cb 1.22 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1hbm h VAL 219 CO 0.46 0.17 0.00 -0.90 -1.01 0.00 0.00 177.57 176.29 1hbm n ASP 220 N -4.29 3.45 0.00 3.17 3.85 -1.26 -4.73 116.55 116.74 1hbm n ASP 220 Ca -0.02 -2.19 0.00 0.00 -0.71 0.00 0.00 54.79 51.86 1hbm n ASP 220 Cb 0.24 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 1hbm n ASP 220 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hbm n GLY 221 N 1.15 3.17 3.40 6.12 0.00 -0.59 -5.09 105.19 113.35 1hbm n GLY 221 Ca 0.19 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1hbm n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hbm s GLU 222 N 3.09 3.56 0.26 1.61 2.02 -1.09 -4.88 118.70 123.27 1hbm s GLU 222 Ca 0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 54.97 54.17 1hbm s GLU 222 Cb 0.00 -3.22 -0.09 0.00 0.10 0.00 0.00 34.13 30.92 1hbm s GLU 222 CO 0.00 -0.19 0.94 0.00 0.02 0.00 0.00 175.26 176.03 1hbm s ALA 223 N 1.57 3.31 0.27 5.21 0.00 -1.07 -1.70 121.76 129.34 1hbm s ALA 223 Ca 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.57 1hbm s ALA 223 Cb -0.15 -3.20 0.34 0.00 0.00 0.00 0.00 23.12 20.11 1hbm s ALA 223 CO 0.01 0.20 1.90 -0.92 0.00 0.00 0.00 175.76 176.96 1hbm h TYR 224 N 3.89 1.10 -0.14 0.00 3.20 -1.86 -2.09 116.97 121.07 1hbm h TYR 224 Ca -0.45 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.43 1hbm h TYR 224 Cb 1.20 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1hbm h TYR 224 CO 0.61 0.75 0.10 0.07 -1.64 0.00 0.00 178.16 178.05 1hbm h ARG 225 N 1.13 0.06 0.00 1.82 0.11 -1.99 -0.05 114.38 115.45 1hbm h ARG 225 Ca 0.29 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.37 1hbm h ARG 225 Cb -0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1hbm h ARG 225 CO -0.05 0.04 0.00 -0.25 0.10 0.00 0.00 179.97 179.81 1hbm n ASP 226 N -4.51 0.71 -4.10 0.08 8.00 -0.80 -4.29 116.55 111.65 1hbm n ASP 226 Ca -0.00 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 55.64 1hbm n ASP 226 Cb 0.18 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1hbm n ASP 226 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1hbm n ASP 227 N -2.17 5.15 0.16 -2.24 -0.08 -0.03 -4.84 116.55 112.50 1hbm n ASP 227 Ca 0.06 -3.06 0.02 0.00 -1.51 0.00 0.00 54.79 50.30 1hbm n ASP 227 Cb 0.42 -1.51 0.38 0.00 2.34 0.00 0.00 41.12 42.74 1hbm n ASP 227 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1hbm h VAL 228 N 4.09 1.22 -0.09 5.18 -1.51 -1.78 -1.63 116.25 121.73 1hbm h VAL 228 Ca 0.36 -1.02 -0.14 0.00 -1.23 0.00 0.00 66.70 64.68 1hbm h VAL 228 Cb 0.72 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1hbm h VAL 228 CO 1.48 0.30 -0.55 -0.33 -1.23 0.00 0.00 177.57 177.24 1hbm h GLU 229 N 0.09 0.25 -0.19 5.19 5.08 -1.95 -0.57 114.58 122.49 1hbm h GLU 229 Ca 0.01 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1hbm h GLU 229 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1hbm h GLU 229 CO 0.04 0.73 -0.01 0.00 -1.00 0.00 0.00 179.01 178.77 1hbm h ALA 230 N 1.23 0.25 -0.64 3.43 0.00 -1.56 -2.91 119.26 119.06 1hbm h ALA 230 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1hbm h ALA 230 Cb 1.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1hbm h ALA 230 CO 0.09 -0.02 0.41 0.28 0.00 0.00 0.00 179.25 180.01 1hbm h VAL 231 N 0.08 1.12 -0.59 0.00 2.07 -1.28 -2.53 116.25 115.12 1hbm h VAL 231 Ca 0.05 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1hbm h VAL 231 Cb 0.41 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 1hbm h VAL 231 CO 0.01 0.15 0.20 -0.08 0.02 0.00 0.00 177.57 177.87 1hbm h GLU 232 N 0.83 0.35 -0.47 1.57 4.81 -1.09 -0.33 114.58 120.24 1hbm h GLU 232 Ca 0.25 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1hbm h GLU 232 Cb -0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1hbm h GLU 232 CO -0.08 0.23 -0.18 0.82 -0.73 0.00 0.00 179.01 179.08 1hbm h ILE 233 N 0.36 1.27 -0.40 2.32 1.08 -1.29 -0.00 117.51 120.85 1hbm h ILE 233 Ca 0.30 -1.32 -0.06 0.00 -0.39 0.00 0.00 64.86 63.40 1hbm h ILE 233 Cb 0.38 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1hbm h ILE 233 CO -0.32 0.45 0.02 -0.03 -0.69 0.00 0.00 178.15 177.58 1hbm h MET 234 N 0.81 0.69 -0.93 2.37 4.05 -1.00 -0.70 114.93 120.22 1hbm h MET 234 Ca 0.12 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1hbm h MET 234 Cb 0.72 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1hbm h MET 234 CO 0.06 0.77 0.62 1.96 0.23 0.00 0.00 176.91 180.54 1hbm h GLN 235 N 0.53 1.21 -0.57 0.39 4.20 -0.97 -2.19 115.11 117.72 1hbm h GLN 235 Ca 0.12 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1hbm h GLN 235 Cb 0.44 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1hbm h GLN 235 CO 0.02 0.80 0.29 -0.09 -0.67 0.00 0.00 178.83 179.18 1hbm h ARG 236 N 1.25 0.82 -0.53 1.46 2.43 -0.57 -1.85 114.38 117.39 1hbm h ARG 236 Ca 0.34 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1hbm h ARG 236 Cb -0.13 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1hbm h ARG 236 CO -0.08 0.65 0.18 0.82 -1.51 0.00 0.00 179.97 180.04 1hbm h ILE 237 N 0.78 1.23 -0.19 1.20 2.04 -0.91 -0.50 117.51 121.15 1hbm h ILE 237 Ca 0.20 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.37 1hbm h ILE 237 Cb 0.09 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1hbm h ILE 237 CO -0.03 0.28 -0.31 -0.74 0.00 0.00 0.00 178.15 177.35 1hbm h HIS 238 N 0.72 -0.86 -0.39 1.37 2.76 -1.18 -1.13 115.15 116.44 1hbm h HIS 238 Ca 0.17 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1hbm h HIS 238 Cb 0.25 0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 1hbm h HIS 238 CO 0.01 -0.38 0.23 0.28 -1.30 0.00 0.00 177.93 176.77 1hbm h VAL 239 N -0.35 1.04 -0.23 5.26 2.07 -1.07 -1.52 116.25 121.44 1hbm h VAL 239 Ca 0.11 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.34 1hbm h VAL 239 Cb 0.53 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1hbm h VAL 239 CO -0.39 0.09 -0.43 -0.07 0.02 0.00 0.00 177.57 176.79 1hbm h LEU 240 N 0.47 0.61 -0.57 2.57 3.38 -0.89 -0.44 115.31 120.44 1hbm h LEU 240 Ca 0.16 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1hbm h LEU 240 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1hbm h LEU 240 CO -0.07 0.96 0.20 0.03 0.09 0.00 0.00 178.44 179.65 1hbm h ARG 241 N 0.46 0.86 0.18 1.13 3.08 -1.13 -1.07 114.38 117.89 1hbm h ARG 241 Ca 0.04 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1hbm h ARG 241 Cb 0.94 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1hbm h ARG 241 CO 0.08 0.76 -0.09 0.77 -1.07 0.00 0.00 179.97 180.43 1hbm h SER 242 N 0.78 -0.20 -0.65 7.04 0.02 -0.74 -1.75 113.55 118.04 1hbm h SER 242 Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1hbm h SER 242 Cb 0.24 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1hbm h SER 242 CO -0.01 -0.11 0.41 1.56 -1.14 0.00 0.00 176.83 177.54 1hbm h GLN 243 N -0.28 0.88 -0.50 3.45 4.20 -1.10 -3.08 115.11 118.67 1hbm h GLN 243 Ca -0.02 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1hbm h GLN 243 Cb 0.22 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1hbm h GLN 243 CO 0.04 0.61 0.12 0.78 -0.67 0.00 0.00 178.83 179.71 1hbm h GLY 244 N 0.89 0.82 2.00 3.46 0.00 -0.98 -0.97 103.07 108.29 1hbm h GLY 244 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1hbm h GLY 244 CO -0.05 0.44 -0.24 -1.33 0.00 0.00 0.00 176.54 175.36 1hbm h GLY 245 N 0.93 0.00 0.00 4.60 0.00 -1.25 -3.30 103.07 104.05 1hbm h GLY 245 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1hbm h GLY 245 CO -0.00 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.60 1hbm h PHE 246 N 0.00 0.00 -3.74 5.60 3.57 -1.35 -3.48 116.94 117.54 1hbm h PHE 246 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1hbm h PHE 246 Cb 0.58 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.18 1hbm h PHE 246 CO 0.00 0.64 -0.33 0.54 -2.23 0.00 0.00 178.31 176.93 1hbm s ASN 247 N -6.03 0.07 0.00 0.41 2.20 -0.41 -5.14 114.94 106.04 1hbm s ASN 247 Ca -0.13 -0.59 0.29 0.00 -0.94 0.00 0.00 52.86 51.49 1hbm s ASN 247 Cb -0.01 0.35 1.33 0.00 -2.00 0.00 0.00 41.25 40.93 1hbm s ASN 247 CO 0.41 -0.73 1.91 -0.11 -2.94 0.00 0.00 177.10 175.64