#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbv s THR 2 N 0.00 1.92 0.07 0.00 2.01 0.23 -4.98 115.64 114.89 2gbv s THR 2 Ca 0.00 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.03 2gbv s THR 2 Cb 0.00 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 2gbv s THR 2 CO 0.00 0.54 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.76 2gbv s LYS 3 N -0.50 1.04 0.19 4.92 1.02 -1.26 -0.50 119.74 124.65 2gbv s LYS 3 Ca 0.07 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 55.07 2gbv s LYS 3 Cb -0.10 -1.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.03 2gbv s LYS 3 CO -0.00 0.27 0.18 0.00 -0.92 0.00 0.00 175.35 174.88 2gbv s ALA 4 N -1.04 0.80 -0.05 5.17 0.00 -0.31 -1.42 121.76 124.91 2gbv s ALA 4 Ca 0.03 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2gbv s ALA 4 Cb -0.09 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.27 2gbv s ALA 4 CO 0.02 -0.62 0.37 0.54 0.00 0.00 0.00 175.76 176.08 2gbv s VAL 5 N -4.10 0.04 -0.06 0.00 0.11 0.17 -0.48 120.40 116.08 2gbv s VAL 5 Ca 0.32 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2gbv s VAL 5 Cb 0.06 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2gbv s VAL 5 CO 0.09 -0.16 -0.09 0.00 -3.33 0.00 0.00 175.10 171.60 2gbv s ALA 6 N -0.90 1.04 -0.39 1.54 0.00 0.34 -0.92 121.76 122.47 2gbv s ALA 6 Ca -0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2gbv s ALA 6 Cb -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2gbv s ALA 6 CO 0.04 0.08 0.24 0.08 0.00 0.00 0.00 175.76 176.20 2gbv s VAL 7 N 0.71 4.79 -0.12 0.00 1.01 -1.26 -0.99 120.40 124.53 2gbv s VAL 7 Ca -0.13 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 2gbv s VAL 7 Cb -0.15 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2gbv s VAL 7 CO 0.02 -0.28 0.88 -0.76 0.00 0.00 0.00 175.10 174.96 2gbv s LEU 8 N 1.59 4.24 0.06 3.92 1.43 0.38 -3.99 118.68 126.31 2gbv s LEU 8 Ca 0.03 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 2gbv s LEU 8 Cb -0.19 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 2gbv s LEU 8 CO 0.08 -0.35 0.09 -0.54 0.23 0.00 0.00 176.35 175.85 2gbv s LYS 9 N 1.76 0.68 0.00 1.70 -0.14 -0.74 -1.94 119.74 121.06 2gbv s LYS 9 Ca 0.43 -0.96 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2gbv s LYS 9 Cb -0.18 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.23 2gbv s LYS 9 CO 0.17 -0.17 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 2gbv n GLY 10 N 0.31 3.21 0.13 -3.33 0.00 -1.25 -1.20 105.19 103.06 2gbv n GLY 10 Ca -0.16 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.06 2gbv n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbv h ASP 11 N 0.00 0.00 -0.63 1.61 3.32 -1.91 -3.47 116.42 115.34 2gbv h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2gbv h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gbv h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2gbv n GLY 12 N 1.26 5.55 0.00 2.75 0.00 -1.26 -5.03 105.19 108.45 2gbv n GLY 12 Ca 0.05 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.27 2gbv n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbv n PRO 13 N 0.00 0.09 -2.36 1.61 -0.04 -1.26 -4.85 135.00 128.19 2gbv n PRO 13 Ca 0.00 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 2gbv n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2gbv n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbv s VAL 14 N -2.90 4.11 0.10 0.52 1.01 -1.26 -4.33 120.40 117.65 2gbv s VAL 14 Ca 0.17 1.39 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2gbv s VAL 14 Cb 0.19 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2gbv s VAL 14 CO 0.49 -0.07 0.44 0.00 0.00 0.00 0.00 175.10 175.96 2gbv s GLN 15 N 3.04 1.05 -0.05 2.72 -2.07 -0.75 -3.79 119.66 119.81 2gbv s GLN 15 Ca 0.58 -0.54 -0.31 0.00 -1.82 0.00 0.00 55.36 53.27 2gbv s GLN 15 Cb -0.25 0.47 0.12 0.00 -1.09 0.00 0.00 33.01 32.25 2gbv s GLN 15 CO 0.20 -0.40 1.35 0.20 -1.32 0.00 0.00 175.29 175.32 2gbv s GLY 16 N -2.50 -0.33 -0.10 2.60 0.00 -0.82 -0.21 107.32 105.96 2gbv s GLY 16 Ca -0.00 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.24 2gbv s GLY 16 CO -0.08 2.73 -0.12 -0.42 0.00 0.00 0.00 173.10 175.21 2gbv s ILE 17 N -2.13 1.23 -0.14 0.90 1.01 -0.67 -0.47 121.20 120.93 2gbv s ILE 17 Ca 0.21 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.42 2gbv s ILE 17 Cb 0.04 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.35 2gbv s ILE 17 CO -0.04 0.39 -0.21 -0.63 0.00 0.00 0.00 174.94 174.45 2gbv s ILE 18 N 1.17 2.02 0.07 2.92 -1.09 -0.16 -2.07 121.20 124.05 2gbv s ILE 18 Ca -0.04 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.42 2gbv s ILE 18 Cb -0.14 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 2gbv s ILE 18 CO -0.03 0.54 0.24 0.20 -1.23 0.00 0.00 174.94 174.66 2gbv s ASN 19 N 0.92 6.39 -0.02 3.58 0.01 0.14 -0.50 114.94 125.46 2gbv s ASN 19 Ca -0.05 0.35 0.05 0.00 -0.71 0.00 0.00 52.86 52.51 2gbv s ASN 19 Cb -0.15 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 2gbv s ASN 19 CO -0.04 0.16 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.18 2gbv s PHE 20 N -1.52 1.58 -0.04 2.20 0.40 0.37 -1.38 117.98 119.60 2gbv s PHE 20 Ca 0.35 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2gbv s PHE 20 Cb -0.13 -1.03 0.02 0.00 0.51 0.00 0.00 43.02 42.39 2gbv s PHE 20 CO 0.26 -0.05 0.10 -2.00 0.70 0.00 0.00 175.22 174.22 2gbv s GLU 21 N -0.31 0.08 -0.19 0.44 2.12 -0.05 -1.17 118.70 119.62 2gbv s GLU 21 Ca 0.05 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.56 2gbv s GLU 21 Cb -0.08 -0.07 0.06 0.00 0.26 0.00 0.00 34.13 34.31 2gbv s GLU 21 CO -0.00 -0.08 0.03 -1.14 -0.54 0.00 0.00 175.26 173.53 2gbv s GLN 22 N 0.54 0.70 0.10 4.30 0.74 0.35 -0.46 119.66 125.93 2gbv s GLN 22 Ca -0.04 -0.41 -0.16 0.00 0.05 0.00 0.00 55.36 54.79 2gbv s GLN 22 Cb -0.06 -2.06 -0.06 0.00 1.10 0.00 0.00 33.01 31.93 2gbv s GLN 22 CO -0.02 -0.62 1.51 -0.22 -0.55 0.00 0.00 175.29 175.39 2gbv h LYS 23 N 8.24 0.60 -6.05 1.67 3.64 -1.84 0.68 116.57 123.51 2gbv h LYS 23 Ca -0.17 -0.23 -0.58 0.00 -1.27 0.00 0.00 60.65 58.41 2gbv h LYS 23 Cb 1.12 -0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 32.64 2gbv h LYS 23 CO 0.34 0.78 -0.84 -1.21 -2.27 0.00 0.00 179.45 176.24 2gbv s GLU 24 N -4.80 1.40 0.54 1.90 0.41 -1.26 -3.69 118.70 113.20 2gbv s GLU 24 Ca -0.13 -0.92 0.28 0.00 -0.41 0.00 0.00 54.97 53.80 2gbv s GLU 24 Cb 0.09 -1.50 1.57 0.00 -1.78 0.00 0.00 34.13 32.51 2gbv s GLU 24 CO 0.78 0.38 2.13 0.66 -0.49 0.00 0.00 175.26 178.73 2gbv h SER 25 N 4.94 0.00 -0.41 -0.19 4.64 -1.97 -0.48 113.55 120.08 2gbv h SER 25 Ca -0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 2gbv h SER 25 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2gbv h SER 25 CO 0.44 0.08 0.02 -0.46 -0.87 0.00 0.00 176.83 176.05 2gbv n ASN 26 N -3.68 4.55 -4.87 4.97 6.94 -1.26 -4.89 115.26 117.02 2gbv n ASN 26 Ca -0.02 -3.04 -0.25 0.00 -0.02 0.00 0.00 54.58 51.25 2gbv n ASN 26 Cb 0.19 -0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 36.97 2gbv n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2gbv s GLY 27 N -1.50 2.33 0.75 4.83 0.00 -0.19 -5.12 107.32 108.42 2gbv s GLY 27 Ca 0.48 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 2gbv s GLY 27 CO 0.11 -1.89 1.11 2.56 0.00 0.00 0.00 173.10 174.99 2gbv s PRO 28 N -4.18 2.31 -0.22 2.90 0.04 -1.26 -4.83 135.00 129.75 2gbv s PRO 28 Ca 0.38 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 2gbv s PRO 28 Cb -0.01 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2gbv s PRO 28 CO 0.22 -1.62 0.10 0.08 0.04 0.00 0.00 177.00 175.83 2gbv s VAL 29 N -2.67 4.90 -0.02 -0.36 1.01 0.59 -4.31 120.40 119.54 2gbv s VAL 29 Ca 0.64 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 2gbv s VAL 29 Cb -0.19 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2gbv s VAL 29 CO 0.51 0.38 0.76 -0.54 0.00 0.00 0.00 175.10 176.21 2gbv s LYS 30 N 0.97 4.47 -0.16 2.72 1.02 0.39 -0.99 119.74 128.17 2gbv s LYS 30 Ca 0.05 1.01 0.01 0.00 0.02 0.00 0.00 55.97 57.06 2gbv s LYS 30 Cb -0.14 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2gbv s LYS 30 CO 0.03 0.12 -0.16 0.08 -0.92 0.00 0.00 175.35 174.50 2gbv s VAL 31 N 0.57 1.73 0.06 3.17 1.01 0.82 -0.87 120.40 126.88 2gbv s VAL 31 Ca 0.40 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2gbv s VAL 31 Cb -0.19 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2gbv s VAL 31 CO 0.21 0.49 0.35 -1.66 0.00 0.00 0.00 175.10 174.49 2gbv s TRP 32 N 1.37 -0.17 -5.00 5.22 -2.14 -0.48 0.06 118.94 117.81 2gbv s TRP 32 Ca 0.04 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.82 2gbv s TRP 32 Cb -0.13 0.16 0.00 0.00 -3.10 0.00 0.00 33.47 30.40 2gbv s TRP 32 CO -0.11 -0.56 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 2gbv n GLY 33 N 0.39 -0.28 2.98 3.67 0.00 -0.60 0.26 105.19 111.61 2gbv n GLY 33 Ca -0.18 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2gbv n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbv s SER 34 N -4.00 -0.00 -0.03 1.61 0.15 -0.88 -0.46 113.70 110.08 2gbv s SER 34 Ca 0.00 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2gbv s SER 34 Cb 0.00 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 2gbv s SER 34 CO 0.00 -0.13 -0.09 -0.63 1.20 0.00 0.00 173.24 173.58 2gbv s ILE 35 N -0.47 0.82 0.37 6.45 1.01 -0.23 -1.67 121.20 127.47 2gbv s ILE 35 Ca -0.05 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2gbv s ILE 35 Cb -0.03 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 2gbv s ILE 35 CO 0.00 0.26 0.03 -1.59 0.00 0.00 0.00 174.94 173.65 2gbv s LYS 36 N 0.33 1.82 0.00 2.79 -2.85 0.70 0.09 119.74 122.62 2gbv s LYS 36 Ca -0.06 -2.02 0.00 0.00 -1.00 0.00 0.00 55.97 52.89 2gbv s LYS 36 Cb -0.10 -1.26 0.00 0.00 -2.06 0.00 0.00 37.83 34.41 2gbv s LYS 36 CO 0.01 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.74 2gbv n GLY 37 N -0.84 0.57 3.91 0.59 0.00 -1.06 -1.81 105.19 106.55 2gbv n GLY 37 Ca -0.04 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2gbv n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbv s LEU 38 N 0.00 4.17 0.35 0.99 1.43 -0.75 -4.26 118.68 120.61 2gbv s LEU 38 Ca 0.00 0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 53.38 2gbv s LEU 38 Cb 0.00 -3.33 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 2gbv s LEU 38 CO 0.00 -0.08 1.15 0.42 0.23 0.00 0.00 176.35 178.07 2gbv s THR 39 N -1.91 3.27 0.19 5.49 -4.23 -1.26 -4.09 115.64 113.10 2gbv s THR 39 Ca 0.41 1.15 -0.33 0.00 -1.18 0.00 0.00 61.69 61.74 2gbv s THR 39 Cb -0.11 -3.68 -0.14 0.00 1.34 0.00 0.00 72.50 69.91 2gbv s THR 39 CO 0.28 0.18 1.38 1.21 -0.54 0.00 0.00 174.62 177.13 2gbv n GLU 40 N 0.51 1.77 0.00 3.99 2.13 -1.26 -4.64 120.64 123.14 2gbv n GLU 40 Ca 0.02 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.47 2gbv n GLU 40 Cb 0.46 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2gbv n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbv n GLY 41 N 2.42 0.49 3.78 8.31 0.00 -0.56 -4.94 105.19 114.69 2gbv n GLY 41 Ca 0.14 -2.24 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 2gbv n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbv s LEU 42 N 0.00 4.53 -0.06 0.99 1.43 -1.26 -1.19 118.68 123.12 2gbv s LEU 42 Ca 0.00 1.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 2gbv s LEU 42 Cb 0.00 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.11 2gbv s LEU 42 CO 0.00 0.18 -0.06 -1.00 0.23 0.00 0.00 176.35 175.70 2gbv s HIS 43 N -0.85 0.98 0.50 0.29 3.76 0.05 -2.65 115.29 117.37 2gbv s HIS 43 Ca 0.34 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.69 2gbv s HIS 43 Cb -0.21 -0.82 -0.07 0.00 1.11 0.00 0.00 32.58 32.59 2gbv s HIS 43 CO 0.23 -0.25 1.27 0.41 -0.85 0.00 0.00 174.74 175.55 2gbv n GLY 44 N 4.15 0.54 2.73 -2.22 0.00 -0.49 -0.65 105.19 109.25 2gbv n GLY 44 Ca -0.22 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 2gbv n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbv s PHE 45 N -1.28 -0.22 0.02 1.61 5.36 0.40 -0.51 117.98 123.35 2gbv s PHE 45 Ca 0.68 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.74 2gbv s PHE 45 Cb -0.45 -0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 2gbv s PHE 45 CO 0.53 -0.60 0.06 -1.01 -1.46 0.00 0.00 175.22 172.74 2gbv s HIS 46 N 2.30 0.17 -0.26 10.12 3.76 -0.54 -2.43 115.29 128.41 2gbv s HIS 46 Ca 0.06 -0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 54.34 2gbv s HIS 46 Cb -0.16 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 2gbv s HIS 46 CO -0.12 -0.28 0.79 0.08 -0.85 0.00 0.00 174.74 174.36 2gbv s VAL 47 N -1.80 4.84 0.31 -0.90 1.01 -0.24 -0.53 120.40 123.08 2gbv s VAL 47 Ca -0.12 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 2gbv s VAL 47 Cb -0.06 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2gbv s VAL 47 CO -0.01 -0.12 0.52 -1.00 0.00 0.00 0.00 175.10 174.50 2gbv s HIS 48 N 2.84 3.49 0.15 5.22 3.76 0.16 -0.98 115.29 129.93 2gbv s HIS 48 Ca 0.33 0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 55.51 2gbv s HIS 48 Cb -0.15 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.61 2gbv s HIS 48 CO 0.09 0.18 1.78 1.49 -0.85 0.00 0.00 174.74 177.43 2gbv h GLU 49 N 1.22 0.57 -5.88 1.40 4.81 -0.79 -2.62 114.58 113.29 2gbv h GLU 49 Ca -0.49 -0.05 -0.67 0.00 -0.13 0.00 0.00 59.36 58.01 2gbv h GLU 49 Cb 1.21 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.32 2gbv h GLU 49 CO 0.64 0.42 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.68 2gbv s PHE 50 N -5.99 3.21 -0.31 0.92 0.08 -0.35 -4.64 117.98 110.90 2gbv s PHE 50 Ca -0.13 0.21 -0.04 0.00 0.12 0.00 0.00 56.93 57.10 2gbv s PHE 50 Cb 0.11 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2gbv s PHE 50 CO 0.73 0.47 2.76 0.41 -0.10 0.00 0.00 175.22 179.50 2gbv n GLY 51 N 2.22 3.93 3.29 4.36 0.00 -0.99 -3.55 105.19 114.46 2gbv n GLY 51 Ca -0.19 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2gbv n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbv s ASP 52 N 0.74 5.54 -0.12 1.61 -1.08 -1.26 -4.93 116.67 117.16 2gbv s ASP 52 Ca 0.52 -1.29 0.17 0.00 -0.52 0.00 0.00 52.55 51.43 2gbv s ASP 52 Cb 0.32 -1.95 0.64 0.00 -1.46 0.00 0.00 42.92 40.48 2gbv s ASP 52 CO -0.12 -0.43 1.56 -3.20 0.52 0.00 0.00 175.17 173.49 2gbv n ASN 53 N 4.89 4.47 0.27 -0.34 2.85 -1.26 -2.92 115.26 123.22 2gbv n ASN 53 Ca -0.11 -2.53 0.12 0.00 -0.11 0.00 0.00 54.58 51.95 2gbv n ASN 53 Cb 0.44 -0.54 0.74 0.00 1.24 0.00 0.00 39.78 41.66 2gbv n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2gbv h THR 54 N 3.42 0.71 -0.55 -0.44 1.35 -1.93 0.43 112.91 115.91 2gbv h THR 54 Ca 0.00 -0.31 -0.40 0.00 -0.55 0.00 0.00 66.41 65.15 2gbv h THR 54 Cb 1.41 1.18 -0.30 0.00 -1.73 0.00 0.00 68.15 68.71 2gbv h THR 54 CO 0.22 0.08 -0.65 0.00 -0.25 0.00 0.00 175.52 174.92 2gbv n ALA 55 N -2.37 4.70 -0.99 6.62 0.00 -1.26 -5.04 120.51 122.17 2gbv n ALA 55 Ca -0.02 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.78 2gbv n ALA 55 Cb 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2gbv n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 56 N -0.84 2.23 0.26 0.00 0.00 0.14 -2.63 105.19 104.35 2gbv n GLY 56 Ca 0.38 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2gbv n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbv h ALA 57 N -0.99 1.67 -0.63 4.61 0.00 -1.86 -3.06 119.26 118.99 2gbv h ALA 57 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2gbv h ALA 57 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2gbv h ALA 57 CO 0.00 0.08 0.42 1.15 0.00 0.00 0.00 179.25 180.90 2gbv h THR 58 N 0.00 1.11 0.00 0.00 2.02 -1.83 -1.77 112.91 112.44 2gbv h THR 58 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2gbv h THR 58 Cb 0.13 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2gbv h THR 58 CO 0.01 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 2gbv n SER 59 N -4.46 0.00 0.00 4.18 3.41 -1.16 -3.56 113.62 112.04 2gbv n SER 59 Ca 0.07 -0.56 0.10 0.00 -0.26 0.00 0.00 58.87 58.22 2gbv n SER 59 Cb 0.10 -0.14 0.45 0.00 -0.26 0.00 0.00 64.21 64.36 2gbv n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbv n ALA 60 N -1.14 1.95 -0.40 7.33 0.00 -0.67 -4.50 120.51 123.09 2gbv n ALA 60 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2gbv n ALA 60 Cb 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2gbv n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 61 N 0.56 -0.70 3.65 0.00 0.00 -1.23 -1.21 105.19 106.25 2gbv n GLY 61 Ca 0.06 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2gbv n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbv n PRO 62 N -0.13 -1.24 -1.71 1.61 -0.04 -1.26 -4.59 135.00 127.64 2gbv n PRO 62 Ca 0.00 -1.94 -0.43 0.00 -0.04 0.00 0.00 63.50 61.09 2gbv n PRO 62 Cb 0.00 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2gbv n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2gbv n HIS 63 N -3.74 2.46 -1.73 0.54 8.25 -1.26 -0.74 115.22 119.00 2gbv n HIS 63 Ca 0.16 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.65 2gbv n HIS 63 Cb 0.55 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 2gbv n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbv s PHE 64 N -0.63 1.40 -0.38 4.41 5.36 -0.15 -4.52 117.98 123.46 2gbv s PHE 64 Ca 0.60 -0.23 0.11 0.00 -0.96 0.00 0.00 56.93 56.45 2gbv s PHE 64 Cb -0.56 -4.16 0.34 0.00 -0.34 0.00 0.00 43.02 38.30 2gbv s PHE 64 CO 0.57 -5.09 0.76 -1.71 -1.46 0.00 0.00 175.22 168.29 2gbv n ASN 65 N 7.94 0.49 0.26 6.13 5.15 -1.26 -1.19 115.26 132.79 2gbv n ASN 65 Ca 0.20 -3.07 0.13 0.00 -0.60 0.00 0.00 54.58 51.24 2gbv n ASN 65 Cb 0.42 -0.37 0.72 0.00 -0.53 0.00 0.00 39.78 40.03 2gbv n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gbv h PRO 66 N 3.03 0.00 -0.38 1.20 0.13 -1.98 -2.42 132.00 131.58 2gbv h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2gbv h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbv h PRO 66 CO 0.46 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 2gbv n LEU 67 N -3.60 2.83 -3.52 1.56 4.77 -1.26 -4.98 117.00 112.79 2gbv n LEU 67 Ca -0.02 -1.27 -0.21 0.00 -0.03 0.00 0.00 56.01 54.48 2gbv n LEU 67 Cb 0.24 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2gbv n LEU 67 CO 0.30 0.64 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.79 2gbv n SER 68 N 1.06 -3.85 -4.76 -1.43 7.64 -0.91 -5.01 113.62 106.36 2gbv n SER 68 Ca 0.18 -0.80 -0.27 0.00 1.01 0.00 0.00 58.87 59.00 2gbv n SER 68 Cb 0.49 -4.44 -0.06 0.00 -1.01 0.00 0.00 64.21 59.18 2gbv n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbv s ARG 69 N -5.39 2.20 0.57 1.43 0.52 -1.26 -5.14 118.95 111.88 2gbv s ARG 69 Ca 0.24 -2.00 -0.10 0.00 -0.52 0.00 0.00 55.73 53.35 2gbv s ARG 69 Cb -0.05 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2gbv s ARG 69 CO 0.79 -0.25 0.95 0.15 0.02 0.00 0.00 175.30 176.96 2gbv s LYS 70 N -3.95 3.60 0.34 3.54 1.02 -1.26 -4.67 119.74 118.35 2gbv s LYS 70 Ca 0.33 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.62 2gbv s LYS 70 Cb 0.03 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 2gbv s LYS 70 CO 0.18 -0.43 1.35 -1.58 -0.92 0.00 0.00 175.35 173.95 2gbv s HIS 71 N -3.00 2.94 0.00 3.18 5.65 -0.11 -3.14 115.29 120.81 2gbv s HIS 71 Ca 0.53 1.34 -0.00 0.00 0.25 0.00 0.00 55.06 57.18 2gbv s HIS 71 Cb -0.11 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2gbv s HIS 71 CO 0.50 -2.16 0.01 0.41 -0.65 0.00 0.00 174.74 172.84 2gbv n GLY 72 N 0.79 3.00 3.95 1.59 0.00 -1.24 -4.27 105.19 109.01 2gbv n GLY 72 Ca 0.01 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 2gbv n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbv s GLY 73 N -1.03 1.68 0.54 -0.02 0.00 -1.16 -4.64 107.32 102.69 2gbv s GLY 73 Ca 0.00 -1.11 0.22 0.00 0.00 0.00 0.00 44.72 43.83 2gbv s GLY 73 CO 0.00 -0.87 2.10 -0.56 0.00 0.00 0.00 173.10 173.77 2gbv h PRO 74 N 0.15 0.00 -0.38 2.90 0.13 -1.86 -1.69 132.00 131.25 2gbv h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2gbv h PRO 74 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2gbv h PRO 74 CO 0.56 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.96 2gbv n LYS 75 N -4.34 2.26 -3.22 0.86 4.76 -1.26 -4.88 118.16 112.35 2gbv n LYS 75 Ca 0.02 -1.92 -0.38 0.00 -2.87 0.00 0.00 58.31 53.16 2gbv n LYS 75 Cb 0.29 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.96 2gbv n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2gbv s ASP 76 N -1.39 7.06 0.07 4.39 1.01 -0.64 -4.99 116.67 122.18 2gbv s ASP 76 Ca 0.37 1.31 -0.21 0.00 0.71 0.00 0.00 52.55 54.73 2gbv s ASP 76 Cb 0.21 -2.38 -0.12 0.00 1.01 0.00 0.00 42.92 41.64 2gbv s ASP 76 CO 0.29 0.19 1.56 -0.08 0.21 0.00 0.00 175.17 177.34 2gbv h GLU 77 N 4.11 0.22 -6.29 8.23 4.22 -1.89 -3.37 114.58 119.80 2gbv h GLU 77 Ca -0.49 -0.05 -0.54 0.00 0.08 0.00 0.00 59.36 58.36 2gbv h GLU 77 Cb 1.20 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 2gbv h GLU 77 CO 0.65 0.37 1.12 -2.00 -2.18 0.00 0.00 179.01 176.97 2gbv s GLU 78 N -5.32 3.15 0.11 1.92 2.56 -1.26 -4.93 118.70 114.93 2gbv s GLU 78 Ca -0.14 -0.21 -0.18 0.00 0.00 0.00 0.00 54.97 54.44 2gbv s GLU 78 Cb 0.06 -4.31 0.04 0.00 2.00 0.00 0.00 34.13 31.93 2gbv s GLU 78 CO 0.70 -2.23 0.44 -0.98 -0.56 0.00 0.00 175.26 172.63 2gbv s ARG 79 N 5.84 1.07 0.50 4.30 1.70 -1.20 -3.74 118.95 127.43 2gbv s ARG 79 Ca 0.40 -0.57 -0.21 0.00 -0.47 0.00 0.00 55.73 54.88 2gbv s ARG 79 Cb -0.08 0.48 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 2gbv s ARG 79 CO 0.14 -0.42 1.09 -1.01 -1.08 0.00 0.00 175.30 174.02 2gbv s HIS 80 N -3.45 2.88 0.39 5.89 3.76 -1.19 -4.67 115.29 118.90 2gbv s HIS 80 Ca 0.01 1.56 0.11 0.00 -0.15 0.00 0.00 55.06 56.59 2gbv s HIS 80 Cb 0.01 -3.20 0.89 0.00 1.11 0.00 0.00 32.58 31.39 2gbv s HIS 80 CO -0.10 -1.19 1.93 0.28 -0.85 0.00 0.00 174.74 174.82 2gbv h VAL 81 N 1.51 0.89 0.00 -0.90 2.07 -1.83 -1.82 116.25 116.16 2gbv h VAL 81 Ca -0.50 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2gbv h VAL 81 Cb 1.24 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2gbv h VAL 81 CO 0.59 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.89 2gbv n GLY 82 N -1.48 -0.84 3.54 2.17 0.00 -0.33 -4.40 105.19 103.85 2gbv n GLY 82 Ca 0.13 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2gbv n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbv s ASP 83 N -2.12 6.33 -0.12 1.61 1.01 -0.69 -1.08 116.67 121.60 2gbv s ASP 83 Ca 0.34 -1.00 0.17 0.00 0.71 0.00 0.00 52.55 52.77 2gbv s ASP 83 Cb 0.17 -2.54 0.64 0.00 1.01 0.00 0.00 42.92 42.20 2gbv s ASP 83 CO 0.30 -1.62 1.55 0.18 0.21 0.00 0.00 175.17 175.80 2gbv n LEU 84 N 8.82 4.44 0.00 1.23 4.77 -1.02 -3.20 117.00 132.04 2gbv n LEU 84 Ca 0.15 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 2gbv n LEU 84 Cb 0.49 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2gbv n LEU 84 CO 0.67 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2gbv n GLY 85 N 0.70 1.08 3.39 -0.72 0.00 -1.17 -4.77 105.19 103.71 2gbv n GLY 85 Ca 0.23 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 2gbv n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbv s ASN 86 N -4.00 3.40 0.24 1.61 0.01 -1.26 -0.45 114.94 114.49 2gbv s ASN 86 Ca 0.00 -0.58 0.07 0.00 -0.71 0.00 0.00 52.86 51.63 2gbv s ASN 86 Cb 0.00 -0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.25 2gbv s ASN 86 CO 0.00 0.24 0.21 0.68 -1.51 0.00 0.00 177.10 176.72 2gbv s VAL 87 N -0.91 4.57 -0.21 1.60 -7.23 0.17 -4.90 120.40 113.49 2gbv s VAL 87 Ca 0.13 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2gbv s VAL 87 Cb -0.10 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.41 2gbv s VAL 87 CO 0.04 -0.32 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.47 2gbv s THR 88 N -2.07 2.31 0.00 5.32 2.01 -1.26 -0.77 115.64 121.18 2gbv s THR 88 Ca 0.33 -1.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.06 2gbv s THR 88 Cb -0.08 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 2gbv s THR 88 CO 0.25 0.39 0.73 0.00 -0.69 0.00 0.00 174.62 175.30 2gbv s ALA 89 N 1.28 3.37 1.02 7.40 0.00 -0.33 -4.05 121.76 130.44 2gbv s ALA 89 Ca 0.02 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 2gbv s ALA 89 Cb -0.15 -2.96 0.09 0.00 0.00 0.00 0.00 23.12 20.11 2gbv s ALA 89 CO -0.10 0.02 0.50 -0.40 0.00 0.00 0.00 175.76 175.78 2gbv n ASP 90 N 3.12 -0.27 0.31 0.00 5.68 -0.34 -1.49 116.55 123.57 2gbv n ASP 90 Ca -0.02 -1.10 0.20 0.00 -0.50 0.00 0.00 54.79 53.37 2gbv n ASP 90 Cb 0.51 -0.39 1.00 0.00 -1.14 0.00 0.00 41.12 41.10 2gbv n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbv h LYS 91 N 0.00 0.00 -0.14 0.11 2.10 -1.98 -1.43 116.57 115.24 2gbv h LYS 91 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2gbv h LYS 91 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2gbv h LYS 91 CO 0.12 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 2gbv n ASP 92 N -3.12 1.96 0.00 7.07 8.00 -1.26 -4.85 116.55 124.34 2gbv n ASP 92 Ca -0.02 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.77 2gbv n ASP 92 Cb 0.16 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2gbv n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbv n GLY 93 N 1.21 0.58 3.52 0.44 0.00 -0.54 -4.78 105.19 105.62 2gbv n GLY 93 Ca 0.17 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2gbv n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbv s VAL 94 N -2.00 4.45 -0.26 1.61 1.01 -1.26 -1.81 120.40 122.14 2gbv s VAL 94 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2gbv s VAL 94 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2gbv s VAL 94 CO 0.00 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.62 2gbv s ALA 95 N 0.99 3.32 -0.37 5.51 0.00 0.11 -1.20 121.76 130.13 2gbv s ALA 95 Ca 0.03 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 2gbv s ALA 95 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 2gbv s ALA 95 CO 0.03 -0.48 0.33 -0.51 0.00 0.00 0.00 175.76 175.12 2gbv s ASP 96 N 1.62 6.13 -0.17 0.00 -0.00 -1.26 -1.07 116.67 121.92 2gbv s ASP 96 Ca 0.06 -0.50 -0.13 0.00 -0.00 0.00 0.00 52.55 51.99 2gbv s ASP 96 Cb -0.15 -2.18 -0.05 0.00 -0.00 0.00 0.00 42.92 40.54 2gbv s ASP 96 CO 0.06 -0.37 0.24 -0.69 -0.00 0.00 0.00 175.17 174.42 2gbv s VAL 97 N 1.88 5.34 -0.28 -1.27 1.01 0.39 -4.87 120.40 122.60 2gbv s VAL 97 Ca 0.09 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2gbv s VAL 97 Cb -0.17 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 32.78 2gbv s VAL 97 CO 0.11 0.40 0.39 -0.55 0.00 0.00 0.00 175.10 175.45 2gbv s SER 98 N 0.46 0.53 0.04 3.32 0.15 -1.25 -1.56 113.70 115.38 2gbv s SER 98 Ca 0.14 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.52 2gbv s SER 98 Cb -0.12 1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 65.19 2gbv s SER 98 CO 0.02 -0.35 -0.14 -0.63 1.20 0.00 0.00 173.24 173.34 2gbv s ILE 99 N 2.52 1.10 -0.07 6.45 1.01 0.11 -5.00 121.20 127.32 2gbv s ILE 99 Ca 0.10 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2gbv s ILE 99 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.34 2gbv s ILE 99 CO -0.28 0.01 -0.17 -0.70 0.00 0.00 0.00 174.94 173.80 2gbv s GLU 100 N -1.11 2.10 -0.02 2.79 2.12 -1.26 -0.13 118.70 123.19 2gbv s GLU 100 Ca 0.02 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.74 2gbv s GLU 100 Cb -0.08 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.62 2gbv s GLU 100 CO 0.01 0.16 -0.03 0.34 -0.54 0.00 0.00 175.26 175.20 2gbv s ASP 101 N 0.33 0.53 -0.00 -1.70 2.15 -0.16 -4.97 116.67 112.84 2gbv s ASP 101 Ca -0.11 -0.07 0.17 0.00 0.43 0.00 0.00 52.55 52.97 2gbv s ASP 101 Cb -0.15 -0.19 0.48 0.00 -0.30 0.00 0.00 42.92 42.77 2gbv s ASP 101 CO 0.04 -0.03 1.40 -1.54 -0.17 0.00 0.00 175.17 174.88 2gbv n SER 102 N 3.61 3.47 -0.11 -0.34 3.41 -1.26 -0.30 113.62 122.10 2gbv n SER 102 Ca -0.21 -2.02 -0.22 0.00 -0.26 0.00 0.00 58.87 56.16 2gbv n SER 102 Cb 0.54 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 2gbv n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gbv n VAL 103 N 1.07 1.21 -1.81 -3.33 0.31 -1.26 -4.91 118.33 109.62 2gbv n VAL 103 Ca 0.18 -0.33 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 2gbv n VAL 103 Cb 0.53 -1.72 0.05 0.00 -0.91 0.00 0.00 33.84 31.80 2gbv n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbv s ILE 104 N -2.41 2.74 0.03 2.52 -4.36 -1.26 -5.03 121.20 113.43 2gbv s ILE 104 Ca -0.31 0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2gbv s ILE 104 Cb 0.11 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 2gbv s ILE 104 CO 0.40 -0.16 -0.04 -0.55 0.24 0.00 0.00 174.94 174.84 2gbv s SER 105 N -1.98 0.41 0.00 4.36 0.15 -1.26 -4.57 113.70 110.81 2gbv s SER 105 Ca 0.73 -0.66 0.27 0.00 0.70 0.00 0.00 55.95 56.99 2gbv s SER 105 Cb -0.27 0.12 0.76 0.00 -1.71 0.00 0.00 66.02 64.92 2gbv s SER 105 CO 0.38 -0.38 1.57 0.18 1.20 0.00 0.00 173.24 176.20 2gbv n LEU 106 N 1.11 1.55 -4.24 3.45 4.77 -1.26 -1.45 117.00 120.93 2gbv n LEU 106 Ca -0.21 -0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 55.12 2gbv n LEU 106 Cb 0.57 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2gbv n LEU 106 CO 0.23 0.27 -0.18 -0.94 -1.33 0.00 0.00 177.39 175.44 2gbv s SER 107 N -2.21 0.90 0.00 -1.43 1.04 -1.26 -4.69 113.70 106.04 2gbv s SER 107 Ca 0.30 -1.57 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2gbv s SER 107 Cb 0.20 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2gbv s SER 107 CO 0.41 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2gbv n GLY 108 N -0.44 -0.82 0.14 7.32 0.00 -1.26 -3.82 105.19 106.30 2gbv n GLY 108 Ca 0.05 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.49 2gbv n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gbv n ASP 109 N -1.13 0.70 -1.11 1.61 5.75 -1.26 -1.77 116.55 119.34 2gbv n ASP 109 Ca 0.00 0.67 -0.01 0.00 -0.01 0.00 0.00 54.79 55.44 2gbv n ASP 109 Cb 0.00 -0.82 0.21 0.00 -1.03 0.00 0.00 41.12 39.48 2gbv n ASP 109 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2gbv n HIS 110 N -2.27 1.12 -1.68 2.11 8.25 -1.26 -5.05 115.22 116.44 2gbv n HIS 110 Ca 0.02 -1.39 -0.38 0.00 -0.26 0.00 0.00 57.72 55.71 2gbv n HIS 110 Cb 0.23 -0.46 0.05 0.00 1.12 0.00 0.00 29.99 30.94 2gbv n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbv n ALA 111 N -0.96 0.80 1.40 -1.41 0.00 -0.73 -4.66 120.51 114.96 2gbv n ALA 111 Ca 0.31 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.94 2gbv n ALA 111 Cb 1.02 -2.23 0.50 0.00 0.00 0.00 0.00 19.45 18.74 2gbv n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbv n ILE 112 N -1.49 0.00 -1.72 0.00 -5.35 -0.53 -4.90 119.36 105.37 2gbv n ILE 112 Ca 0.13 -0.16 -0.42 0.00 -0.27 0.00 0.00 62.75 62.03 2gbv n ILE 112 Cb 0.46 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 2gbv n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbv n ILE 113 N -0.40 0.55 -0.84 7.28 2.08 -1.26 -1.90 119.36 124.86 2gbv n ILE 113 Ca 0.16 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2gbv n ILE 113 Cb 0.33 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 2gbv n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gbv n GLY 114 N 2.95 0.72 2.89 7.39 0.00 0.96 -5.00 105.19 115.10 2gbv n GLY 114 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2gbv n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbv n ARG 115 N -2.50 0.84 -4.72 1.61 1.74 -0.80 -2.35 116.66 110.48 2gbv n ARG 115 Ca 0.00 -2.54 -0.33 0.00 -0.77 0.00 0.00 57.85 54.21 2gbv n ARG 115 Cb 0.00 0.17 -0.15 0.00 -1.02 0.00 0.00 32.46 31.46 2gbv n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbv s THR 116 N -1.98 2.90 -0.10 0.55 2.01 -0.99 -0.20 115.64 117.83 2gbv s THR 116 Ca 0.29 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 2gbv s THR 116 Cb -0.02 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2gbv s THR 116 CO 0.18 0.52 0.50 -0.22 -0.69 0.00 0.00 174.62 174.92 2gbv s LEU 117 N 0.51 4.30 -0.04 4.42 2.96 0.17 0.36 118.68 131.36 2gbv s LEU 117 Ca -0.10 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2gbv s LEU 117 Cb -0.16 -2.74 0.00 0.00 0.50 0.00 0.00 46.19 43.79 2gbv s LEU 117 CO 0.04 0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.26 2gbv s VAL 118 N 0.50 1.12 -0.10 1.68 1.01 0.31 -1.40 120.40 123.53 2gbv s VAL 118 Ca 0.27 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 2gbv s VAL 118 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2gbv s VAL 118 CO 0.12 0.34 -0.03 0.54 0.00 0.00 0.00 175.10 176.06 2gbv s VAL 119 N 0.22 4.01 0.35 2.92 0.11 -0.59 -1.47 120.40 125.95 2gbv s VAL 119 Ca -0.06 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 58.72 2gbv s VAL 119 Cb -0.11 -2.69 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 2gbv s VAL 119 CO 0.02 0.57 0.30 -1.00 -3.33 0.00 0.00 175.10 171.65 2gbv s HIS 120 N -0.45 2.84 0.15 1.54 3.76 0.33 -1.12 115.29 122.34 2gbv s HIS 120 Ca 0.07 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 2gbv s HIS 120 Cb -0.12 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 2gbv s HIS 120 CO 0.02 0.13 1.41 1.05 -0.85 0.00 0.00 174.74 176.50 2gbv h GLU 121 N 1.23 0.67 -5.87 1.40 4.11 -0.78 -3.37 114.58 111.96 2gbv h GLU 121 Ca -0.44 -0.49 -0.57 0.00 0.07 0.00 0.00 59.36 57.93 2gbv h GLU 121 Cb 1.26 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 2gbv h GLU 121 CO 0.59 1.11 -0.47 0.15 0.07 0.00 0.00 179.01 180.46 2gbv s LYS 122 N -3.86 2.24 0.41 1.06 1.02 -0.01 -4.90 119.74 115.71 2gbv s LYS 122 Ca -0.09 -1.89 -0.26 0.00 0.02 0.00 0.00 55.97 53.76 2gbv s LYS 122 Cb 0.10 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2gbv s LYS 122 CO 0.87 -0.20 1.32 0.00 -0.92 0.00 0.00 175.35 176.42 2gbv s ALA 123 N -2.63 3.26 -0.13 5.17 0.00 -1.09 -1.39 121.76 124.95 2gbv s ALA 123 Ca 0.38 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.31 2gbv s ALA 123 Cb 0.03 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2gbv s ALA 123 CO 0.21 -0.87 0.99 0.34 0.00 0.00 0.00 175.76 176.44 2gbv s ASP 124 N -0.71 7.19 0.00 0.00 -1.08 -1.26 -3.80 116.67 117.01 2gbv s ASP 124 Ca 0.57 1.46 0.24 0.00 -0.52 0.00 0.00 52.55 54.31 2gbv s ASP 124 Cb -0.39 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 39.92 2gbv s ASP 124 CO 0.50 -0.48 1.90 -0.90 0.52 0.00 0.00 175.17 176.71 2gbv n ASP 125 N 5.23 0.15 -1.88 -0.34 5.68 0.47 -4.88 116.55 120.98 2gbv n ASP 125 Ca 0.09 -1.28 -0.18 0.00 -0.50 0.00 0.00 54.79 52.92 2gbv n ASP 125 Cb 0.48 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 2gbv n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbv n LEU 126 N -0.77 -1.69 0.00 -2.12 4.77 -1.26 -2.25 117.00 113.68 2gbv n LEU 126 Ca 0.18 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2gbv n LEU 126 Cb 0.11 -2.59 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 2gbv n LEU 126 CO 0.14 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 2gbv n GLY 127 N -0.95 0.56 0.90 -0.72 0.00 -1.25 -3.00 105.19 100.73 2gbv n GLY 127 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2gbv n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbv n LYS 128 N -2.88 2.75 0.27 1.61 4.76 -0.96 -4.60 118.16 119.12 2gbv n LYS 128 Ca 0.00 -2.25 0.17 0.00 -2.87 0.00 0.00 58.31 53.36 2gbv n LYS 128 Cb 0.00 -1.38 0.64 0.00 -1.84 0.00 0.00 35.03 32.45 2gbv n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2gbv h GLY 129 N 2.90 0.00 -1.71 0.72 0.00 -1.90 -3.47 103.07 99.60 2gbv h GLY 129 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2gbv h GLY 129 CO 0.00 0.00 -0.22 0.61 0.00 0.00 0.00 176.54 176.93 2gbv n GLY 130 N 0.12 0.17 3.22 4.60 0.00 -1.26 -5.01 105.19 107.04 2gbv n GLY 130 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2gbv n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbv s ASN 131 N -2.81 0.18 0.25 1.61 2.20 -1.26 -5.05 114.94 110.05 2gbv s ASN 131 Ca 0.08 -0.89 -0.04 0.00 -0.94 0.00 0.00 52.86 51.07 2gbv s ASN 131 Cb -0.03 0.35 0.42 0.00 -2.00 0.00 0.00 41.25 39.99 2gbv s ASN 131 CO 0.10 -0.77 1.79 -0.33 -2.94 0.00 0.00 177.10 174.94 2gbv h GLU 132 N 2.76 0.67 -0.46 3.55 5.08 -2.00 -1.70 114.58 122.46 2gbv h GLU 132 Ca -0.33 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2gbv h GLU 132 Cb 1.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2gbv h GLU 132 CO 0.55 0.44 0.24 1.49 -1.00 0.00 0.00 179.01 180.74 2gbv h GLU 133 N 0.69 0.64 -0.38 2.33 4.57 -1.99 -2.78 114.58 117.65 2gbv h GLU 133 Ca 0.41 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.55 2gbv h GLU 133 Cb 0.46 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2gbv h GLU 133 CO -0.29 0.48 0.19 1.03 -1.18 0.00 0.00 179.01 179.24 2gbv h SER 134 N 0.64 0.28 0.00 1.04 0.87 -1.65 0.23 113.55 114.96 2gbv h SER 134 Ca 0.17 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2gbv h SER 134 Cb 0.03 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2gbv h SER 134 CO -0.03 0.21 0.00 0.35 -0.53 0.00 0.00 176.83 176.83 2gbv n THR 135 N -4.92 0.00 -0.05 2.23 -2.24 -1.06 -1.27 114.28 106.96 2gbv n THR 135 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 2gbv n THR 135 Cb 0.09 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 2gbv n THR 135 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2gbv n LYS 136 N -0.92 0.36 0.00 -0.78 4.81 -0.78 -0.93 118.16 119.91 2gbv n LYS 136 Ca 0.20 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 2gbv n LYS 136 Cb 0.09 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.02 2gbv n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2gbv n THR 137 N -4.06 0.00 -1.10 3.15 -2.24 0.73 -4.66 114.28 106.10 2gbv n THR 137 Ca -0.16 -0.41 -0.03 0.00 -2.27 0.00 0.00 64.05 61.18 2gbv n THR 137 Cb 0.44 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 2gbv n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbv n GLY 138 N 1.24 0.62 3.02 3.38 0.00 -0.40 -3.49 105.19 109.56 2gbv n GLY 138 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2gbv n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbv n ASN 139 N 0.37 -5.11 0.00 1.61 3.02 -1.26 -0.40 115.26 113.50 2gbv n ASN 139 Ca -0.03 -0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.39 2gbv n ASN 139 Cb 0.18 -4.18 0.58 0.00 -0.61 0.00 0.00 39.78 35.75 2gbv n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbv n ALA 140 N -3.28 2.20 -0.39 5.41 0.00 -1.23 -4.65 120.51 118.57 2gbv n ALA 140 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2gbv n ALA 140 Cb 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2gbv n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 141 N 0.93 -0.18 3.74 0.00 0.00 -1.26 -0.83 105.19 107.60 2gbv n GLY 141 Ca 0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2gbv n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbv s SER 142 N -4.00 3.95 -0.35 1.61 1.04 -1.26 -4.60 113.70 110.08 2gbv s SER 142 Ca 0.00 1.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.96 2gbv s SER 142 Cb 0.00 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2gbv s SER 142 CO 0.00 -2.37 0.42 -0.13 0.98 0.00 0.00 173.24 172.14 2gbv s ARG 143 N -4.90 3.54 -0.08 4.02 0.52 -1.26 -0.64 118.95 120.15 2gbv s ARG 143 Ca 0.62 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.45 2gbv s ARG 143 Cb -0.18 -3.82 -0.26 0.00 0.52 0.00 0.00 34.95 31.21 2gbv s ARG 143 CO 0.57 -0.60 0.53 -0.07 0.02 0.00 0.00 175.30 175.75 2gbv h LEU 144 N 8.90 0.35 -7.36 2.53 3.38 -1.43 -3.47 115.31 118.20 2gbv h LEU 144 Ca -0.29 -0.71 -0.08 0.00 0.09 0.00 0.00 57.88 56.90 2gbv h LEU 144 Cb 1.13 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.60 2gbv h LEU 144 CO 0.73 1.62 -0.10 0.00 0.09 0.00 0.00 178.44 180.79 2gbv s ALA 145 N -2.58 -1.03 0.05 1.53 0.00 -1.16 -4.18 121.76 114.39 2gbv s ALA 145 Ca -0.16 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 2gbv s ALA 145 Cb 0.07 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2gbv s ALA 145 CO 0.80 -0.46 0.40 0.00 0.00 0.00 0.00 175.76 176.51 2gbv s ALA 146 N -2.44 -0.96 -0.11 0.00 0.00 -0.35 -1.54 121.76 116.36 2gbv s ALA 146 Ca -0.05 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2gbv s ALA 146 Cb -0.01 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.51 2gbv s ALA 146 CO -0.02 -0.46 0.37 0.20 0.00 0.00 0.00 175.76 175.84 2gbv s GLY 147 N -2.07 -0.26 0.19 0.00 0.00 -0.49 -1.79 107.32 102.90 2gbv s GLY 147 Ca -0.05 0.91 -0.30 0.00 0.00 0.00 0.00 44.72 45.28 2gbv s GLY 147 CO -0.03 0.74 1.16 0.14 0.00 0.00 0.00 173.10 175.12 2gbv s VAL 148 N -0.16 3.63 -0.37 1.40 1.01 -1.26 -0.65 120.40 123.99 2gbv s VAL 148 Ca -0.03 1.41 -0.27 0.00 0.00 0.00 0.00 61.98 63.08 2gbv s VAL 148 Cb -0.03 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2gbv s VAL 148 CO 0.02 0.24 0.99 -0.63 0.00 0.00 0.00 175.10 175.72 2gbv s ILE 149 N -0.22 4.51 0.19 2.22 1.01 0.72 -4.50 121.20 125.13 2gbv s ILE 149 Ca 0.51 1.32 0.08 0.00 0.00 0.00 0.00 60.65 62.56 2gbv s ILE 149 Cb -0.32 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 2gbv s ILE 149 CO 0.37 -0.60 -0.04 -0.83 0.00 0.00 0.00 174.94 173.84 2gbv s GLY 150 N 1.92 1.72 0.14 6.18 0.00 -0.10 -0.03 107.32 117.15 2gbv s GLY 150 Ca 0.41 -1.44 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 2gbv s GLY 150 CO 0.20 -1.47 1.54 -0.42 0.00 0.00 0.00 173.10 172.95 2gbv s ILE 151 N -1.79 2.81 0.28 0.90 1.01 -1.26 -0.65 121.20 122.49 2gbv s ILE 151 Ca 0.27 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.55 2gbv s ILE 151 Cb -0.09 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2gbv s ILE 151 CO 0.17 0.04 0.11 0.00 0.00 0.00 0.00 174.94 175.26 2gbv s ALA 152 N 1.32 3.42 -2.00 9.38 0.00 -0.51 -4.81 121.76 128.56 2gbv s ALA 152 Ca 0.69 -1.59 0.24 0.00 0.00 0.00 0.00 51.96 51.30 2gbv s ALA 152 Cb -0.42 -0.99 1.46 0.00 0.00 0.00 0.00 23.12 23.17 2gbv s ALA 152 CO 0.31 0.21 1.82 0.94 0.00 0.00 0.00 175.76 179.04