#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgb s MET 23 N 0.00 4.42 0.48 4.33 0.00 -1.26 -4.99 119.30 122.29 3hgb s MET 23 Ca 0.00 1.77 -0.22 0.00 0.00 0.00 0.00 55.69 57.23 3hgb s MET 23 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 34.83 31.39 3hgb s MET 23 CO 0.00 -0.28 1.18 -1.54 0.00 0.00 0.00 175.02 174.38 3hgb s SER 24 N 1.11 6.00 -0.02 -1.18 1.04 -1.26 -4.97 113.70 114.42 3hgb s SER 24 Ca 0.59 2.33 -0.30 0.00 0.48 0.00 0.00 55.95 59.05 3hgb s SER 24 Cb -0.29 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.20 3hgb s SER 24 CO 0.29 -1.04 0.99 -0.62 0.98 0.00 0.00 173.24 173.84 3hgb s ASP 25 N -1.38 7.33 -0.42 7.02 2.15 -1.26 -4.96 116.67 125.15 3hgb s ASP 25 Ca 0.66 1.64 0.02 0.00 0.43 0.00 0.00 52.55 55.30 3hgb s ASP 25 Cb -0.29 -2.57 0.14 0.00 -0.30 0.00 0.00 42.92 39.90 3hgb s ASP 25 CO 0.35 -0.31 0.25 -0.63 -0.17 0.00 0.00 175.17 174.66 3hgb s ILE 26 N 1.23 0.89 0.24 4.11 1.01 -1.26 -4.17 121.20 123.25 3hgb s ILE 26 Ca 0.51 -2.34 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 3hgb s ILE 26 Cb -0.21 -1.63 -0.14 0.00 0.01 0.00 0.00 42.46 40.50 3hgb s ILE 26 CO 0.26 -0.98 1.21 -2.65 0.00 0.00 0.00 174.94 172.78 3hgb n PRO 27 N 3.56 1.59 0.06 2.79 -0.02 -1.26 -4.86 135.00 136.87 3hgb n PRO 27 Ca 0.13 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 3hgb n PRO 27 Cb 0.37 -2.09 0.45 0.00 -0.02 0.00 0.00 33.50 32.22 3hgb n PRO 27 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hgb n SER 28 N 1.71 0.39 -1.64 2.55 3.41 -1.26 -3.15 113.62 115.63 3hgb n SER 28 Ca 0.11 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 3hgb n SER 28 Cb 0.30 -0.66 0.36 0.00 -0.26 0.00 0.00 64.21 63.95 3hgb n SER 28 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hgb n ASP 29 N -1.90 4.88 -4.46 4.04 5.75 -1.26 -4.70 116.55 118.91 3hgb n ASP 29 Ca 0.04 -2.57 -0.25 0.00 -0.01 0.00 0.00 54.79 52.00 3hgb n ASP 29 Cb 0.29 -0.60 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 3hgb n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hgb s LEU 30 N -2.04 2.56 0.31 -2.12 1.43 -1.19 -4.86 118.68 112.77 3hgb s LEU 30 Ca 0.50 -0.96 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3hgb s LEU 30 Cb 0.34 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 3hgb s LEU 30 CO 0.21 0.07 0.23 -1.00 0.23 0.00 0.00 176.35 176.08 3hgb s HIS 31 N -2.22 2.90 0.11 0.29 3.76 -0.54 -3.94 115.29 115.65 3hgb s HIS 31 Ca 0.27 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 54.86 3hgb s HIS 31 Cb -0.06 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 3hgb s HIS 31 CO 0.13 0.31 0.13 0.71 -0.85 0.00 0.00 174.74 175.17 3hgb s TYR 32 N -2.29 0.50 0.23 1.40 2.02 0.10 0.04 117.35 119.35 3hgb s TYR 32 Ca 0.38 -0.92 0.09 0.00 -0.37 0.00 0.00 57.07 56.24 3hgb s TYR 32 Cb -0.06 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.21 3hgb s TYR 32 CO 0.25 -0.55 -0.02 0.95 -1.57 0.00 0.00 175.55 174.61 3hgb s THR 33 N -3.96 3.48 0.60 -0.71 -4.23 0.01 0.00 115.64 110.84 3hgb s THR 33 Ca 0.14 -1.74 0.30 0.00 -1.18 0.00 0.00 61.69 59.21 3hgb s THR 33 Cb 0.06 -2.81 0.36 0.00 1.34 0.00 0.00 72.50 71.45 3hgb s THR 33 CO -0.04 -0.26 2.11 0.00 -0.54 0.00 0.00 174.62 175.89 3hgb h ALA 34 N 2.27 1.70 -0.31 3.99 0.00 -1.96 -0.30 119.26 124.65 3hgb h ALA 34 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hgb h ALA 34 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hgb h ALA 34 CO 0.59 -0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.96 3hgb n GLU 35 N -3.68 2.30 -1.98 0.00 4.71 -1.26 -4.89 120.64 115.84 3hgb n GLU 35 Ca 0.01 -1.35 -0.02 0.00 -0.01 0.00 0.00 57.16 55.79 3hgb n GLU 35 Cb 0.30 -1.56 -0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3hgb n GLU 35 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3hgb n HIS 36 N 0.40 -0.10 -3.95 -0.32 8.25 -0.12 -5.00 115.22 114.38 3hgb n HIS 36 Ca 0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 3hgb n HIS 36 Cb 0.49 -1.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.27 3hgb n HIS 36 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3hgb s GLU 37 N -3.98 3.32 0.22 -0.41 2.02 -1.25 -1.47 118.70 117.14 3hgb s GLU 37 Ca 0.00 -0.52 0.09 0.00 0.02 0.00 0.00 54.97 54.55 3hgb s GLU 37 Cb 0.00 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 3hgb s GLU 37 CO 0.00 0.59 -0.02 1.67 0.02 0.00 0.00 175.26 177.52 3hgb s TRP 38 N -1.53 2.73 -0.05 1.61 1.48 0.51 -0.80 118.94 122.89 3hgb s TRP 38 Ca 0.34 -0.20 -0.01 0.00 -1.06 0.00 0.00 56.10 55.17 3hgb s TRP 38 Cb -0.12 -1.27 0.03 0.00 -1.16 0.00 0.00 33.47 30.95 3hgb s TRP 38 CO 0.27 0.57 0.01 0.42 -4.06 0.00 0.00 176.95 174.16 3hgb s ILE 39 N -2.03 0.21 -0.15 0.66 1.09 0.11 -2.13 121.20 118.95 3hgb s ILE 39 Ca 0.29 0.17 -0.00 0.00 -1.10 0.00 0.00 60.65 60.01 3hgb s ILE 39 Cb -0.08 -0.37 -0.00 0.00 -1.06 0.00 0.00 42.46 40.95 3hgb s ILE 39 CO 0.19 0.21 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.49 3hgb s ARG 40 N 1.70 3.26 -0.25 2.79 3.52 0.68 -1.47 118.95 129.18 3hgb s ARG 40 Ca 0.00 -0.73 -0.29 0.00 -0.13 0.00 0.00 55.73 54.58 3hgb s ARG 40 Cb -0.13 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 3hgb s ARG 40 CO -0.03 0.04 1.33 0.50 -0.81 0.00 0.00 175.30 176.33 3hgb s ARG 41 N 0.77 3.99 -0.02 5.12 3.52 -1.26 0.62 118.95 131.70 3hgb s ARG 41 Ca -0.06 1.43 0.17 0.00 -0.13 0.00 0.00 55.73 57.15 3hgb s ARG 41 Cb -0.15 -3.87 -0.24 0.00 -1.56 0.00 0.00 34.95 29.13 3hgb s ARG 41 CO 0.01 -1.02 0.49 -1.13 -0.81 0.00 0.00 175.30 172.84 3hgb n SER 42 N 7.43 0.95 -2.55 -2.12 3.41 -0.14 -4.91 113.62 115.69 3hgb n SER 42 Ca 0.15 -0.30 -0.08 0.00 -0.26 0.00 0.00 58.87 58.38 3hgb n SER 42 Cb 0.46 1.52 0.02 0.00 -0.26 0.00 0.00 64.21 65.96 3hgb n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hgb n GLY 43 N 1.48 1.16 0.37 5.00 0.00 -0.98 -4.95 105.19 107.26 3hgb n GLY 43 Ca -0.01 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 44.90 3hgb n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hgb h ASP 44 N 1.71 0.44 0.00 1.61 3.32 -2.01 -3.05 116.42 118.44 3hgb h ASP 44 Ca -0.29 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3hgb h ASP 44 Cb 1.07 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hgb h ASP 44 CO 0.37 0.25 -0.20 -0.90 -1.72 0.00 0.00 179.24 177.03 3hgb n ASP 45 N -4.48 1.22 -4.03 6.45 5.75 -1.26 -4.75 116.55 115.44 3hgb n ASP 45 Ca 0.13 -2.43 -0.20 0.00 -0.01 0.00 0.00 54.79 52.27 3hgb n ASP 45 Cb 0.43 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 40.09 3hgb n ASP 45 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hgb s THR 46 N -1.39 0.79 0.13 2.12 2.01 -1.16 0.78 115.64 118.93 3hgb s THR 46 Ca 0.15 -0.41 0.11 0.00 0.31 0.00 0.00 61.69 61.84 3hgb s THR 46 Cb 0.13 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 3hgb s THR 46 CO 0.01 0.23 -0.26 0.68 -0.69 0.00 0.00 174.62 174.59 3hgb s VAL 47 N -0.13 2.21 -0.06 3.82 -7.23 -0.04 -0.96 120.40 118.00 3hgb s VAL 47 Ca 0.02 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3hgb s VAL 47 Cb -0.05 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hgb s VAL 47 CO -0.00 0.05 0.09 -0.60 -0.31 0.00 0.00 175.10 174.33 3hgb s ARG 48 N -2.11 3.21 -0.00 4.82 3.52 0.20 -1.03 118.95 127.56 3hgb s ARG 48 Ca 0.14 -0.33 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 3hgb s ARG 48 Cb -0.10 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3hgb s ARG 48 CO 0.06 0.71 -0.17 0.08 -0.81 0.00 0.00 175.30 175.17 3hgb s VAL 49 N -1.08 1.35 0.13 7.11 1.01 0.11 -0.23 120.40 128.80 3hgb s VAL 49 Ca 0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3hgb s VAL 49 Cb -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3hgb s VAL 49 CO 0.08 0.34 0.20 0.61 0.00 0.00 0.00 175.10 176.32 3hgb n GLY 50 N 2.54 2.62 3.79 4.51 0.00 -0.90 -0.11 105.19 117.64 3hgb n GLY 50 Ca -0.15 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 3hgb n GLY 50 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hgb s ILE 51 N -2.59 4.43 0.83 -0.61 -4.36 -1.26 -0.36 121.20 117.28 3hgb s ILE 51 Ca 0.10 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 3hgb s ILE 51 Cb -0.01 -3.28 0.09 0.00 1.25 0.00 0.00 42.46 40.51 3hgb s ILE 51 CO 0.07 -0.15 1.12 0.42 0.24 0.00 0.00 174.94 176.64 3hgb s THR 52 N -1.82 2.66 0.21 8.37 -4.23 -0.54 -4.56 115.64 115.73 3hgb s THR 52 Ca 0.31 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.94 3hgb s THR 52 Cb -0.10 -3.00 0.15 0.00 1.34 0.00 0.00 72.50 70.89 3hgb s THR 52 CO 0.23 -0.28 1.81 -0.78 -0.54 0.00 0.00 174.62 175.07 3hgb h ASP 53 N -1.19 0.59 -0.33 3.99 3.58 -1.93 -0.82 116.42 120.30 3hgb h ASP 53 Ca -0.48 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.04 3hgb h ASP 53 Cb 1.29 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 3hgb h ASP 53 CO 0.61 0.38 0.09 0.22 -2.88 0.00 0.00 179.24 177.66 3hgb h TYR 54 N 0.72 0.16 -0.03 0.28 3.20 -1.93 -2.06 116.97 117.31 3hgb h TYR 54 Ca 0.30 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3hgb h TYR 54 Cb 0.17 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.42 3hgb h TYR 54 CO -0.07 0.05 0.02 0.00 -1.64 0.00 0.00 178.16 176.52 3hgb h ALA 55 N 1.23 0.04 -0.79 1.82 0.00 -1.69 -1.24 119.26 118.62 3hgb h ALA 55 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hgb h ALA 55 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3hgb h ALA 55 CO -0.18 -0.45 0.35 -0.56 0.00 0.00 0.00 179.25 178.42 3hgb h GLN 56 N -0.00 1.16 -0.55 0.00 -0.00 -1.05 0.31 115.11 114.97 3hgb h GLN 56 Ca 0.01 -0.19 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 3hgb h GLN 56 Cb 0.04 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.48 27.30 3hgb h GLN 56 CO -0.00 0.91 -0.03 1.03 -0.00 0.00 0.00 178.83 180.75 3hgb h SER 57 N 1.13 0.98 -0.59 0.06 0.87 -1.20 -1.19 113.55 113.62 3hgb h SER 57 Ca 0.27 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 3hgb h SER 57 Cb 0.16 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3hgb h SER 57 CO -0.03 1.07 -0.01 0.00 -0.53 0.00 0.00 176.83 177.33 3hgb h ALA 58 N 0.95 0.79 -0.51 6.23 0.00 -0.82 -3.01 119.26 122.89 3hgb h ALA 58 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hgb h ALA 58 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hgb h ALA 58 CO 0.03 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.30 3hgb h LEU 59 N 0.94 0.78 0.00 0.00 5.85 -0.74 -3.50 115.31 118.64 3hgb h LEU 59 Ca 0.17 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hgb h LEU 59 Cb 0.56 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3hgb h LEU 59 CO 0.03 0.81 0.00 0.61 -0.34 0.00 0.00 178.44 179.55 3hgb n GLY 60 N -0.61 -3.18 3.68 3.75 0.00 -0.47 -4.47 105.19 103.88 3hgb n GLY 60 Ca 0.02 -2.06 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 3hgb n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hgb n ASP 61 N -0.01 3.84 -4.70 1.61 8.00 -1.26 -4.80 116.55 119.22 3hgb n ASP 61 Ca 0.00 0.96 -0.42 0.00 0.71 0.00 0.00 54.79 56.04 3hgb n ASP 61 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 39.59 3hgb n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hgb s VAL 62 N 3.50 4.64 -0.02 2.53 1.01 -1.26 -3.88 120.40 126.91 3hgb s VAL 62 Ca 0.87 1.90 0.12 0.00 0.00 0.00 0.00 61.98 64.87 3hgb s VAL 62 Cb -0.54 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.44 3hgb s VAL 62 CO 0.43 0.10 0.25 1.33 0.00 0.00 0.00 175.10 177.21 3hgb n VAL 63 N 4.12 0.05 -3.67 2.92 0.24 0.18 -3.63 118.33 118.54 3hgb n VAL 63 Ca 0.08 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 3hgb n VAL 63 Cb 0.49 0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.95 3hgb n VAL 63 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3hgb s PHE 64 N -2.79 -0.68 -0.15 6.34 5.36 -0.96 -4.85 117.98 120.26 3hgb s PHE 64 Ca -0.04 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 3hgb s PHE 64 Cb 0.07 0.25 0.02 0.00 -0.34 0.00 0.00 43.02 43.03 3hgb s PHE 64 CO 0.49 -0.33 -0.14 0.08 -1.46 0.00 0.00 175.22 173.87 3hgb s VAL 65 N 0.43 1.54 -0.38 3.12 1.01 -1.26 -0.61 120.40 124.26 3hgb s VAL 65 Ca -0.01 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 3hgb s VAL 65 Cb -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3hgb s VAL 65 CO -0.01 0.45 0.48 -1.58 0.00 0.00 0.00 175.10 174.44 3hgb s GLN 66 N 1.50 3.42 0.06 2.72 2.00 0.78 -4.93 119.66 125.20 3hgb s GLN 66 Ca 0.05 -0.40 0.02 0.00 -2.00 0.00 0.00 55.36 53.03 3hgb s GLN 66 Cb -0.13 -3.87 -0.04 0.00 0.80 0.00 0.00 33.01 29.77 3hgb s GLN 66 CO -0.11 -0.73 0.06 -0.51 -0.50 0.00 0.00 175.29 173.51 3hgb s LEU 67 N 2.31 3.75 0.77 3.68 1.43 -1.26 -1.65 118.68 127.71 3hgb s LEU 67 Ca 0.16 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3hgb s LEU 67 Cb -0.16 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.75 3hgb s LEU 67 CO 0.14 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.85 3hgb s PRO 68 N -2.18 2.27 0.30 1.29 0.04 -1.10 -4.97 135.00 130.66 3hgb s PRO 68 Ca 0.27 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3hgb s PRO 68 Cb -0.12 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 3hgb s PRO 68 CO 0.19 -1.61 1.21 0.08 0.04 0.00 0.00 177.00 176.90 3hgb s VAL 69 N -2.93 3.11 0.23 -0.36 1.01 -1.26 -4.92 120.40 115.27 3hgb s VAL 69 Ca 0.61 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 63.39 3hgb s VAL 69 Cb -0.17 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 3hgb s VAL 69 CO 0.56 0.26 1.58 -0.63 0.00 0.00 0.00 175.10 176.87 3hgb s ILE 70 N -1.10 2.34 0.00 2.22 1.01 -1.26 -1.61 121.20 122.80 3hgb s ILE 70 Ca 0.47 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3hgb s ILE 70 Cb -0.36 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3hgb s ILE 70 CO 0.47 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3hgb n GLY 71 N 3.04 0.67 3.65 6.18 0.00 0.88 -5.01 105.19 114.60 3hgb n GLY 71 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3hgb n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hgb s THR 72 N -2.11 3.37 0.03 2.61 2.01 -0.64 -4.69 115.64 116.23 3hgb s THR 72 Ca 0.00 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 3hgb s THR 72 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3hgb s THR 72 CO 0.00 -0.06 1.13 0.00 -0.69 0.00 0.00 174.62 175.00 3hgb s ALA 73 N 4.52 3.34 0.08 7.40 0.00 -1.26 -0.61 121.76 135.23 3hgb s ALA 73 Ca 0.80 0.73 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3hgb s ALA 73 Cb -0.36 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3hgb s ALA 73 CO 0.34 -0.41 -0.20 0.14 0.00 0.00 0.00 175.76 175.63 3hgb s VAL 74 N 1.18 1.62 0.11 0.00 -7.23 0.15 -4.98 120.40 111.26 3hgb s VAL 74 Ca 0.56 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 3hgb s VAL 74 Cb -0.26 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3hgb s VAL 74 CO 0.28 -0.01 0.05 0.42 -0.31 0.00 0.00 175.10 175.53 3hgb s THR 75 N -1.07 4.21 -0.00 5.32 -4.23 -1.26 -0.94 115.64 117.67 3hgb s THR 75 Ca 0.06 -1.01 -0.37 0.00 -1.18 0.00 0.00 61.69 59.19 3hgb s THR 75 Cb -0.10 -3.06 -0.15 0.00 1.34 0.00 0.00 72.50 70.54 3hgb s THR 75 CO 0.03 0.04 1.55 0.00 -0.54 0.00 0.00 174.62 175.71 3hgb n ALA 76 N 0.26 -0.08 -0.22 3.99 0.00 -1.26 -0.80 120.51 122.40 3hgb n ALA 76 Ca -0.10 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hgb n ALA 76 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3hgb n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgb n GLY 77 N 3.32 1.94 3.77 0.00 0.00 0.24 -4.95 105.19 109.52 3hgb n GLY 77 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3hgb n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hgb s GLU 78 N -0.22 4.41 -0.03 1.61 2.12 0.01 -4.57 118.70 122.04 3hgb s GLU 78 Ca 0.00 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 3hgb s GLU 78 Cb 0.00 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 3hgb s GLU 78 CO 0.00 -0.12 1.49 0.99 -0.54 0.00 0.00 175.26 177.09 3hgb s THR 79 N -1.14 3.65 0.00 -1.70 2.01 -1.26 0.07 115.64 117.28 3hgb s THR 79 Ca 0.48 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.43 3hgb s THR 79 Cb -0.38 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3hgb s THR 79 CO 0.51 -0.04 0.68 2.22 -0.69 0.00 0.00 174.62 177.30 3hgb n PHE 80 N 6.08 0.00 -3.96 4.92 -1.74 -0.27 -4.92 117.46 117.58 3hgb n PHE 80 Ca 0.15 -0.23 0.01 0.00 -0.56 0.00 0.00 57.45 56.82 3hgb n PHE 80 Cb 0.43 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.41 3hgb n PHE 80 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hgb n GLY 81 N -0.23 0.40 3.28 4.97 0.00 -1.19 -2.70 105.19 109.72 3hgb n GLY 81 Ca 0.00 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 3hgb n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hgb s GLU 82 N -2.00 0.77 -0.08 1.61 -1.05 -0.66 -0.28 118.70 117.01 3hgb s GLU 82 Ca 0.09 -0.23 0.02 0.00 -0.15 0.00 0.00 54.97 54.70 3hgb s GLU 82 Cb -0.00 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 3hgb s GLU 82 CO -0.01 -0.23 -0.15 0.14 0.95 0.00 0.00 175.26 175.97 3hgb s VAL 83 N -1.70 2.97 -0.08 1.83 -7.23 0.58 -0.15 120.40 116.62 3hgb s VAL 83 Ca -0.11 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 3hgb s VAL 83 Cb -0.03 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.73 3hgb s VAL 83 CO 0.03 0.56 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.57 3hgb s GLU 84 N -0.26 1.65 0.49 4.82 2.12 0.22 -0.58 118.70 127.16 3hgb s GLU 84 Ca 0.01 -0.38 0.06 0.00 0.36 0.00 0.00 54.97 55.02 3hgb s GLU 84 Cb -0.13 -1.44 0.06 0.00 0.26 0.00 0.00 34.13 32.88 3hgb s GLU 84 CO 0.03 -0.04 0.46 -1.13 -0.54 0.00 0.00 175.26 174.04 3hgb n SER 85 N 4.05 2.33 0.28 -1.70 3.41 0.80 0.49 113.62 123.28 3hgb n SER 85 Ca -0.21 -2.57 0.16 0.00 -0.26 0.00 0.00 58.87 56.00 3hgb n SER 85 Cb 0.51 -0.14 0.74 0.00 -0.26 0.00 0.00 64.21 65.06 3hgb n SER 85 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hgb h THR 86 N 0.48 0.16 0.00 6.66 1.35 -1.88 -3.26 112.91 116.42 3hgb h THR 86 Ca -0.28 -0.53 -0.36 0.00 -0.55 0.00 0.00 66.41 64.68 3hgb h THR 86 Cb 1.11 1.45 -0.07 0.00 -1.73 0.00 0.00 68.15 68.92 3hgb h THR 86 CO 0.44 0.05 -2.38 1.17 -0.25 0.00 0.00 175.52 174.55 3hgb n LYS 87 N -3.21 0.71 -4.17 4.72 4.81 -1.26 -5.04 118.16 114.73 3hgb n LYS 87 Ca -0.00 0.08 -0.17 0.00 -0.87 0.00 0.00 58.31 57.35 3hgb n LYS 87 Cb 0.28 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.71 3hgb n LYS 87 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3hgb s SER 88 N -5.96 1.31 -0.07 3.14 0.01 -1.23 -5.13 113.70 105.77 3hgb s SER 88 Ca -0.23 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.54 3hgb s SER 88 Cb 0.07 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.27 3hgb s SER 88 CO 0.67 -0.09 -0.21 -0.69 0.41 0.00 0.00 173.24 173.33 3hgb s VAL 89 N -1.16 1.77 -0.03 3.43 1.01 -1.26 -0.14 120.40 124.02 3hgb s VAL 89 Ca -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3hgb s VAL 89 Cb -0.09 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3hgb s VAL 89 CO 0.01 0.50 -0.12 -0.44 0.00 0.00 0.00 175.10 175.05 3hgb s SER 90 N 0.23 1.52 0.53 3.32 0.01 0.25 -4.98 113.70 114.58 3hgb s SER 90 Ca -0.12 -0.24 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 3hgb s SER 90 Cb -0.15 -0.41 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 3hgb s SER 90 CO 0.06 0.09 1.13 -1.81 0.41 0.00 0.00 173.24 173.12 3hgb s ASP 91 N 0.14 5.79 -0.13 2.44 1.01 -1.26 -0.31 116.67 124.35 3hgb s ASP 91 Ca -0.03 2.19 -0.01 0.00 0.71 0.00 0.00 52.55 55.41 3hgb s ASP 91 Cb -0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 3hgb s ASP 91 CO 0.01 -1.17 -0.11 -0.76 0.21 0.00 0.00 175.17 173.35 3hgb s LEU 92 N -3.69 2.86 -0.00 1.23 1.43 0.62 -4.79 118.68 116.33 3hgb s LEU 92 Ca 0.72 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3hgb s LEU 92 Cb -0.24 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hgb s LEU 92 CO 0.28 0.18 -0.05 -0.31 0.23 0.00 0.00 176.35 176.67 3hgb s TYR 93 N 0.28 2.93 -0.01 0.29 2.02 -1.26 -1.11 117.35 120.49 3hgb s TYR 93 Ca -0.08 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.31 3hgb s TYR 93 Cb -0.15 -1.63 -0.07 0.00 -0.40 0.00 0.00 41.96 39.72 3hgb s TYR 93 CO 0.05 0.39 1.68 0.00 -1.57 0.00 0.00 175.55 176.09 3hgb s ALA 94 N -1.00 3.63 0.10 3.71 0.00 0.11 -4.85 121.76 123.46 3hgb s ALA 94 Ca 0.17 1.06 0.18 0.00 0.00 0.00 0.00 51.96 53.37 3hgb s ALA 94 Cb -0.11 -3.73 0.56 0.00 0.00 0.00 0.00 23.12 19.83 3hgb s ALA 94 CO 0.08 -1.31 1.67 -1.35 0.00 0.00 0.00 175.76 174.85 3hgb h PRO 95 N 9.22 0.00 -4.36 0.00 0.11 -1.90 0.68 132.00 135.75 3hgb h PRO 95 Ca -0.41 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.54 3hgb h PRO 95 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 3hgb h PRO 95 CO 0.94 0.40 -0.67 0.96 -0.21 0.00 0.00 178.00 179.42 3hgb s ILE 96 N -3.46 0.23 0.38 4.15 -4.36 -1.26 -4.61 121.20 112.27 3hgb s ILE 96 Ca 0.01 -1.86 -0.23 0.00 -0.26 0.00 0.00 60.65 58.30 3hgb s ILE 96 Cb 0.10 -1.75 -0.10 0.00 1.25 0.00 0.00 42.46 41.96 3hgb s ILE 96 CO 0.70 -0.77 0.94 -0.44 0.24 0.00 0.00 174.94 175.61 3hgb s SER 97 N -2.99 7.12 0.00 4.36 0.01 -1.26 -4.01 113.70 116.93 3hgb s SER 97 Ca 0.14 1.75 0.00 0.00 1.31 0.00 0.00 55.95 59.16 3hgb s SER 97 Cb 0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.75 3hgb s SER 97 CO -0.05 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.99 3hgb n GLY 98 N -0.08 -0.38 3.22 3.44 0.00 -0.11 -4.74 105.19 106.54 3hgb n GLY 98 Ca 0.05 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 3hgb n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgb s LYS 99 N -2.00 2.35 -0.03 1.61 3.01 0.09 0.34 119.74 125.12 3hgb s LYS 99 Ca 0.00 -0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 53.85 3hgb s LYS 99 Cb 0.00 -1.98 -0.06 0.00 -1.01 0.00 0.00 37.83 34.77 3hgb s LYS 99 CO 0.00 0.32 1.73 0.08 0.51 0.00 0.00 175.35 177.99 3hgb s VAL 100 N -0.05 3.43 -0.12 3.17 1.01 0.22 0.43 120.40 128.48 3hgb s VAL 100 Ca -0.05 0.53 0.11 0.00 0.00 0.00 0.00 61.98 62.57 3hgb s VAL 100 Cb -0.13 -3.34 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 3hgb s VAL 100 CO 0.04 -0.05 0.28 -1.54 0.00 0.00 0.00 175.10 173.83 3hgb n SER 101 N 7.17 2.11 -3.66 3.32 3.41 0.09 -0.08 113.62 125.97 3hgb n SER 101 Ca 0.18 -0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 3hgb n SER 101 Cb 0.42 1.37 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 3hgb n SER 101 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hgb s GLU 102 N -2.56 0.87 0.06 4.33 0.41 -1.22 -4.90 118.70 115.70 3hgb s GLU 102 Ca -0.02 -0.16 0.02 0.00 -0.41 0.00 0.00 54.97 54.40 3hgb s GLU 102 Cb 0.07 0.40 -0.03 0.00 -1.78 0.00 0.00 34.13 32.79 3hgb s GLU 102 CO 0.43 -0.28 -0.08 0.14 -0.49 0.00 0.00 175.26 174.99 3hgb s VAL 103 N -1.81 0.64 -0.61 2.63 -7.23 -1.26 -0.81 120.40 111.94 3hgb s VAL 103 Ca -0.09 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 3hgb s VAL 103 Cb -0.02 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 35.99 3hgb s VAL 103 CO 0.03 -0.53 0.91 0.21 -0.31 0.00 0.00 175.10 175.41 3hgb s ASN 104 N -2.06 6.23 0.42 4.85 3.84 0.07 -4.86 114.94 123.42 3hgb s ASN 104 Ca -0.02 -0.81 0.29 0.00 0.21 0.00 0.00 52.86 52.53 3hgb s ASN 104 Cb -0.05 -2.41 1.19 0.00 -0.55 0.00 0.00 41.25 39.44 3hgb s ASN 104 CO -0.01 -1.31 1.86 0.77 -2.79 0.00 0.00 177.10 175.62 3hgb h SER 105 N 9.42 0.00 0.12 -4.21 4.64 -1.93 -2.66 113.55 118.92 3hgb h SER 105 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 3hgb h SER 105 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hgb h SER 105 CO 1.13 0.00 -0.05 0.44 -0.87 0.00 0.00 176.83 177.48 3hgb h ASP 106 N 0.00 0.00 0.81 4.97 3.32 -1.94 -2.30 116.42 121.29 3hgb h ASP 106 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hgb h ASP 106 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hgb h ASP 106 CO 0.00 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 3hgb n LEU 107 N -3.90 0.21 0.26 1.55 4.77 -1.00 -0.66 117.00 118.23 3hgb n LEU 107 Ca -0.03 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 3hgb n LEU 107 Cb 0.14 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 3hgb n LEU 107 CO 0.30 -0.21 0.50 0.44 -1.33 0.00 0.00 177.39 177.09 3hgb h ASP 108 N 0.00 -0.57 0.79 -1.43 3.32 -1.62 -2.76 116.42 114.15 3hgb h ASP 108 Ca 0.00 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 3hgb h ASP 108 Cb 0.41 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3hgb h ASP 108 CO 0.00 -0.23 -1.31 1.23 -1.72 0.00 0.00 179.24 177.21 3hgb h GLY 109 N -0.95 0.00 -5.91 2.75 0.00 -1.72 -3.40 103.07 93.84 3hgb h GLY 109 Ca -0.07 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.70 3hgb h GLY 109 CO 0.11 0.00 -0.88 2.41 0.00 0.00 0.00 176.54 178.18 3hgb n THR 110 N -3.11 1.08 0.28 4.70 -1.04 0.17 -4.90 114.28 111.46 3hgb n THR 110 Ca -0.09 -4.81 0.15 0.00 -2.04 0.00 0.00 64.05 57.27 3hgb n THR 110 Cb 0.94 -1.52 0.90 0.00 -1.82 0.00 0.00 70.33 68.83 3hgb n THR 110 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3hgb h PRO 111 N 3.62 0.00 0.00 -2.82 0.13 -1.67 -1.83 132.00 129.43 3hgb h PRO 111 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hgb h PRO 111 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3hgb h PRO 111 CO 0.65 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.46 3hgb n GLN 112 N -3.85 0.13 0.18 0.86 6.02 -1.24 -1.68 117.38 117.81 3hgb n GLN 112 Ca -0.02 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 3hgb n GLN 112 Cb 0.13 -1.50 0.69 0.00 1.02 0.00 0.00 30.24 30.58 3hgb n GLN 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hgb h LEU 113 N 0.00 0.00 -0.87 1.08 3.38 -1.69 0.54 115.31 117.74 3hgb h LEU 113 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hgb h LEU 113 Cb 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3hgb h LEU 113 CO 0.00 0.00 0.58 0.58 0.09 0.00 0.00 178.44 179.69 3hgb h VAL 114 N 0.00 1.21 -0.08 1.22 2.07 -1.53 0.24 116.25 119.39 3hgb h VAL 114 Ca 0.08 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3hgb h VAL 114 Cb 0.34 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3hgb h VAL 114 CO -0.00 0.21 -0.27 0.78 0.02 0.00 0.00 177.57 178.31 3hgb h ASN 115 N 1.17 0.38 1.24 0.57 4.21 -1.24 -3.08 115.58 118.82 3hgb h ASN 115 Ca 0.32 -0.62 -0.14 0.00 1.21 0.00 0.00 56.30 57.07 3hgb h ASN 115 Cb -0.12 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 36.95 3hgb h ASN 115 CO -0.08 0.93 -0.67 0.28 -1.29 0.00 0.00 177.43 176.61 3hgb h SER 116 N -0.16 0.00 -0.86 5.81 0.02 -0.86 -3.39 113.55 114.11 3hgb h SER 116 Ca -0.01 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.59 3hgb h SER 116 Cb 0.91 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.19 3hgb h SER 116 CO 0.06 0.67 -0.76 -0.67 -1.14 0.00 0.00 176.83 174.98 3hgb n ASP 117 N -3.31 -1.16 0.26 3.07 2.03 0.06 -5.01 116.55 112.50 3hgb n ASP 117 Ca 0.01 -3.30 0.12 0.00 0.52 0.00 0.00 54.79 52.13 3hgb n ASP 117 Cb 0.78 0.82 0.77 0.00 -0.72 0.00 0.00 41.12 42.77 3hgb n ASP 117 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hgb h PRO 118 N 3.29 0.00 -0.02 -0.67 0.13 -1.61 0.15 132.00 133.26 3hgb h PRO 118 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hgb h PRO 118 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3hgb h PRO 118 CO 0.32 0.00 -0.10 0.66 -0.23 0.00 0.00 178.00 178.64 3hgb n TYR 119 N -4.21 0.00 0.00 1.56 4.01 -1.26 -4.05 117.16 113.21 3hgb n TYR 119 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3hgb n TYR 119 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3hgb n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hgb n GLY 120 N 1.27 1.19 0.30 2.72 0.00 -0.11 -4.86 105.19 105.70 3hgb n GLY 120 Ca 0.12 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 3hgb n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgb h ALA 121 N 1.00 1.11 -0.42 4.61 0.00 -1.83 -2.54 119.26 121.19 3hgb h ALA 121 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hgb h ALA 121 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hgb h ALA 121 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3hgb n GLY 122 N -0.69 1.81 3.57 0.00 0.00 0.35 -4.83 105.19 105.40 3hgb n GLY 122 Ca -0.02 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 3hgb n GLY 122 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3hgb n TRP 123 N 0.65 0.32 -0.11 1.61 4.27 -0.96 -4.41 117.44 118.81 3hgb n TRP 123 Ca 0.17 0.40 -0.18 0.00 -3.89 0.00 0.00 57.50 54.00 3hgb n TRP 123 Cb 0.62 -2.06 -0.07 0.00 -1.36 0.00 0.00 31.31 28.45 3hgb n TRP 123 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3hgb n LEU 124 N -0.92 1.92 -3.79 5.67 4.77 0.85 -4.54 117.00 120.95 3hgb n LEU 124 Ca 0.13 0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 3hgb n LEU 124 Cb 0.49 -0.82 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3hgb n LEU 124 CO 0.49 0.10 0.55 -1.48 -1.33 0.00 0.00 177.39 175.72 3hgb s LEU 125 N -7.79 -0.25 0.03 2.23 0.05 -1.04 -0.75 118.68 111.16 3hgb s LEU 125 Ca -0.31 -0.50 0.05 0.00 0.05 0.00 0.00 54.13 53.43 3hgb s LEU 125 Cb 0.08 2.52 -0.03 0.00 -2.05 0.00 0.00 46.19 46.71 3hgb s LEU 125 CO 0.45 -1.17 -0.12 -1.81 -0.55 0.00 0.00 176.35 173.14 3hgb s ASP 126 N -2.91 4.21 -0.10 1.48 1.01 0.01 0.08 116.67 120.44 3hgb s ASP 126 Ca 0.11 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.08 3hgb s ASP 126 Cb -0.04 -0.83 -0.01 0.00 1.01 0.00 0.00 42.92 43.04 3hgb s ASP 126 CO 0.04 0.26 -0.16 -0.63 0.21 0.00 0.00 175.17 174.88 3hgb s ILE 127 N -0.99 2.78 -0.10 0.77 1.01 -0.20 -0.73 121.20 123.75 3hgb s ILE 127 Ca 0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3hgb s ILE 127 Cb -0.11 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3hgb s ILE 127 CO 0.07 0.55 -0.02 -1.58 0.00 0.00 0.00 174.94 173.96 3hgb s GLN 128 N 0.05 3.09 -0.14 2.79 0.74 0.17 -0.86 119.66 125.50 3hgb s GLN 128 Ca -0.06 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.86 3hgb s GLN 128 Cb -0.15 -2.78 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 3hgb s GLN 128 CO 0.05 0.60 -0.07 0.14 -0.55 0.00 0.00 175.29 175.46 3hgb s VAL 129 N -0.59 3.64 -0.39 1.34 -7.23 0.23 -0.73 120.40 116.68 3hgb s VAL 129 Ca 0.10 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.66 3hgb s VAL 129 Cb -0.12 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3hgb s VAL 129 CO 0.02 0.51 0.35 -0.62 -0.31 0.00 0.00 175.10 175.05 3hgb s ASP 130 N 0.30 6.15 0.31 4.85 -1.08 -1.26 -4.74 116.67 121.20 3hgb s ASP 130 Ca -0.05 -0.58 0.09 0.00 -0.52 0.00 0.00 52.55 51.48 3hgb s ASP 130 Cb -0.15 -2.19 0.47 0.00 -1.46 0.00 0.00 42.92 39.59 3hgb s ASP 130 CO 0.04 -0.43 1.11 -1.54 0.52 0.00 0.00 175.17 174.86 3hgb n SER 131 N 5.36 0.22 -0.01 -0.34 3.41 -1.26 -1.26 113.62 119.75 3hgb n SER 131 Ca -0.09 0.45 -0.07 0.00 -0.26 0.00 0.00 58.87 58.89 3hgb n SER 131 Cb 0.48 -0.34 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3hgb n SER 131 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hgb h SER 132 N 0.00 -0.08 0.18 4.04 0.02 -1.95 -3.40 113.55 112.36 3hgb h SER 132 Ca 0.00 -0.38 -0.22 0.00 -0.84 0.00 0.00 61.79 60.34 3hgb h SER 132 Cb 0.86 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3hgb h SER 132 CO 0.00 0.58 -0.87 0.44 -1.14 0.00 0.00 176.83 175.84 3hgb h ASP 133 N -0.97 0.65 -5.13 3.07 3.32 -1.60 -3.48 116.42 112.28 3hgb h ASP 133 Ca -0.01 -0.48 -0.38 0.00 0.02 0.00 0.00 57.03 56.19 3hgb h ASP 133 Cb 0.46 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 39.67 3hgb h ASP 133 CO 0.02 1.26 -0.57 0.68 -1.72 0.00 0.00 179.24 178.91 3hgb s VAL 134 N -3.46 0.20 0.29 -1.35 -7.23 -0.75 -5.06 120.40 103.05 3hgb s VAL 134 Ca -0.07 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.80 3hgb s VAL 134 Cb 0.09 -2.51 -0.11 0.00 0.56 0.00 0.00 36.38 34.40 3hgb s VAL 134 CO 0.88 0.00 1.59 0.00 -0.31 0.00 0.00 175.10 177.25 3hgb s ALA 135 N -3.73 3.74 0.73 1.32 0.00 -1.26 -4.11 121.76 118.46 3hgb s ALA 135 Ca 0.37 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.74 3hgb s ALA 135 Cb 0.05 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.57 3hgb s ALA 135 CO 0.18 -0.97 1.25 0.00 0.00 0.00 0.00 175.76 176.21 3hgb s ALA 136 N 0.02 2.09 0.29 0.00 0.00 -1.26 -4.63 121.76 118.27 3hgb s ALA 136 Ca 0.63 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.63 3hgb s ALA 136 Cb -0.47 -3.52 0.58 0.00 0.00 0.00 0.00 23.12 19.70 3hgb s ALA 136 CO 0.47 -1.96 1.86 -0.07 0.00 0.00 0.00 175.76 176.06 3hgb h LEU 137 N -0.22 0.90 -0.68 0.00 3.38 -1.93 0.10 115.31 116.86 3hgb h LEU 137 Ca -0.48 0.04 0.14 0.00 0.09 0.00 0.00 57.88 57.66 3hgb h LEU 137 Cb 1.32 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.82 3hgb h LEU 137 CO 0.49 0.50 0.16 -0.33 0.09 0.00 0.00 178.44 179.35 3hgb h GLU 138 N 0.97 0.27 -0.05 1.13 4.39 -1.93 0.15 114.58 119.52 3hgb h GLU 138 Ca 0.47 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 3hgb h GLU 138 Cb 0.45 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3hgb h GLU 138 CO -0.23 0.18 -0.05 0.77 -1.16 0.00 0.00 179.01 178.51 3hgb h SER 139 N 0.28 0.13 -0.86 1.42 0.02 -1.45 -3.29 113.55 109.79 3hgb h SER 139 Ca 0.37 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3hgb h SER 139 Cb 0.59 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 3hgb h SER 139 CO -0.46 0.60 0.56 0.00 -1.14 0.00 0.00 176.83 176.40 3hgb h ALA 140 N 0.53 1.58 -0.42 3.77 0.00 -0.21 -1.87 119.26 122.64 3hgb h ALA 140 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hgb h ALA 140 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hgb h ALA 140 CO 0.01 0.28 0.28 1.25 0.00 0.00 0.00 179.25 181.07 3hgb h LEU 141 N 0.94 0.26 -2.55 0.00 5.85 -0.81 -2.74 115.31 116.26 3hgb h LEU 141 Ca 0.37 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.10 3hgb h LEU 141 Cb 0.25 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3hgb h LEU 141 CO -0.14 0.17 0.05 0.71 -0.34 0.00 0.00 178.44 178.89 3hgb h THR 142 N 0.30 0.36 0.00 1.05 1.35 -1.46 -0.89 112.91 113.62 3hgb h THR 142 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3hgb h THR 142 Cb 0.35 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3hgb h THR 142 CO -0.04 0.00 -0.34 0.35 -0.25 0.00 0.00 175.52 175.24 3hgb n THR 143 N -3.61 0.16 -3.24 6.82 -2.24 -1.03 -4.92 114.28 106.22 3hgb n THR 143 Ca -0.02 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3hgb n THR 143 Cb 0.13 -0.15 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3hgb n THR 143 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hgb s LEU 144 N -3.50 3.90 0.08 3.22 1.43 -0.34 -5.02 118.68 118.44 3hgb s LEU 144 Ca 0.11 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 3hgb s LEU 144 Cb 0.16 -3.27 -0.06 0.00 0.03 0.00 0.00 46.19 43.05 3hgb s LEU 144 CO 0.65 -0.42 0.42 -0.76 0.23 0.00 0.00 176.35 176.47 3hgb s LEU 145 N -4.39 4.37 0.87 1.79 1.43 0.10 -4.86 118.68 117.99 3hgb s LEU 145 Ca 0.43 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 3hgb s LEU 145 Cb -0.10 -2.96 0.15 0.00 0.03 0.00 0.00 46.19 43.31 3hgb s LEU 145 CO 0.37 0.19 1.23 1.51 0.23 0.00 0.00 176.35 179.87 3hgb s ASP 146 N -1.64 3.77 0.19 2.29 1.47 -1.26 0.01 116.67 121.50 3hgb s ASP 146 Ca 0.32 0.38 -0.12 0.00 1.18 0.00 0.00 52.55 54.31 3hgb s ASP 146 Cb -0.15 -0.64 0.19 0.00 -0.34 0.00 0.00 42.92 41.99 3hgb s ASP 146 CO 0.17 -2.32 1.74 0.00 0.68 0.00 0.00 175.17 175.45 3hgb h ALA 147 N -1.29 0.64 -0.63 2.11 0.00 -1.84 -0.41 119.26 117.84 3hgb h ALA 147 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hgb h ALA 147 Cb 1.27 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 3hgb h ALA 147 CO 0.48 -0.22 0.41 1.49 0.00 0.00 0.00 179.25 181.41 3hgb h GLU 148 N 0.36 0.84 -0.39 0.00 4.81 -1.93 0.19 114.58 118.46 3hgb h GLU 148 Ca 0.25 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3hgb h GLU 148 Cb 0.28 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3hgb h GLU 148 CO -0.26 0.57 0.05 0.00 -0.73 0.00 0.00 179.01 178.64 3hgb h ALA 149 N 1.22 0.52 -0.22 2.92 0.00 -1.78 -1.45 119.26 120.47 3hgb h ALA 149 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hgb h ALA 149 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3hgb h ALA 149 CO -0.05 0.24 0.10 -0.92 0.00 0.00 0.00 179.25 178.62 3hgb h TYR 150 N 0.50 0.32 -0.79 0.00 3.20 -0.79 -1.99 116.97 117.41 3hgb h TYR 150 Ca 0.12 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.12 3hgb h TYR 150 Cb 0.39 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 38.46 3hgb h TYR 150 CO 0.03 0.33 0.33 -0.09 -1.64 0.00 0.00 178.16 177.12 3hgb h ARG 151 N 0.21 0.45 0.00 1.82 9.65 -0.86 -1.26 114.38 124.39 3hgb h ARG 151 Ca 0.07 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3hgb h ARG 151 Cb 0.14 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3hgb h ARG 151 CO -0.01 0.30 -0.05 0.78 2.80 0.00 0.00 179.97 183.79 3hgb h GLY 152 N 0.46 0.00 2.00 2.80 0.00 -0.53 -1.77 103.07 106.03 3hgb h GLY 152 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3hgb h GLY 152 CO -0.42 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.21 3hgb h THR 153 N 0.00 0.00 -3.62 4.70 1.35 -0.80 -3.47 112.91 111.06 3hgb h THR 153 Ca -0.00 -0.55 -0.51 0.00 -0.55 0.00 0.00 66.41 64.80 3hgb h THR 153 Cb 0.12 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 3hgb h THR 153 CO 0.01 0.00 0.10 -0.76 -0.25 0.00 0.00 175.52 174.61 3hgb s LEU 154 N -4.83 4.24 0.00 3.87 1.43 -0.67 -5.13 118.68 117.59 3hgb s LEU 154 Ca 0.10 1.36 0.06 0.00 -1.03 0.00 0.00 54.13 54.61 3hgb s LEU 154 Cb 0.11 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.62 3hgb s LEU 154 CO 0.60 -0.05 0.68 0.41 0.23 0.00 0.00 176.35 178.21