#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 2.18 0.03 0.00 2.01 -0.24 -4.99 115.64 114.62 2gbv s THR 2 Ca 0.00 -1.58 -0.00 0.00 0.31 0.00 0.00 61.69 60.42 2gbv s THR 2 Cb 0.00 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.59 2gbv s THR 2 CO 0.00 0.21 -0.03 -0.54 -0.69 0.00 0.00 174.62 173.57 2gbv s LYS 3 N -1.68 0.38 0.23 4.92 1.02 -1.26 -0.54 119.74 122.80 2gbv s LYS 3 Ca 0.13 -0.74 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 2gbv s LYS 3 Cb -0.10 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.32 2gbv s LYS 3 CO 0.04 -0.06 0.30 0.00 -0.92 0.00 0.00 175.35 174.70 2gbv s ALA 4 N -2.01 0.53 -0.05 5.17 0.00 -0.28 -1.62 121.76 123.50 2gbv s ALA 4 Ca -0.11 -1.33 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 2gbv s ALA 4 Cb -0.06 1.24 0.04 0.00 0.00 0.00 0.00 23.12 24.34 2gbv s ALA 4 CO -0.03 -0.71 0.45 0.54 0.00 0.00 0.00 175.76 176.00 2gbv s VAL 5 N -4.07 0.03 -0.03 0.00 0.11 -0.40 -0.65 120.40 115.40 2gbv s VAL 5 Ca 0.31 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 2gbv s VAL 5 Cb 0.03 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2gbv s VAL 5 CO 0.11 -0.14 -0.09 0.00 -3.33 0.00 0.00 175.10 171.65 2gbv s ALA 6 N -1.00 0.89 -0.33 1.54 0.00 0.08 -0.73 121.76 122.21 2gbv s ALA 6 Ca -0.10 -0.32 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 2gbv s ALA 6 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2gbv s ALA 6 CO 0.05 0.13 0.20 0.08 0.00 0.00 0.00 175.76 176.22 2gbv s VAL 7 N 0.30 4.93 -0.10 0.00 1.01 -1.26 -1.06 120.40 124.23 2gbv s VAL 7 Ca -0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 2gbv s VAL 7 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2gbv s VAL 7 CO 0.01 0.02 0.70 -0.76 0.00 0.00 0.00 175.10 175.07 2gbv s LEU 8 N 1.66 4.27 0.01 3.92 1.43 0.74 -3.93 118.68 126.79 2gbv s LEU 8 Ca 0.05 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.19 2gbv s LEU 8 Cb -0.17 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2gbv s LEU 8 CO 0.08 -0.17 0.18 -0.54 0.23 0.00 0.00 176.35 176.13 2gbv s LYS 9 N 1.12 0.57 0.00 1.70 1.02 -0.57 -2.55 119.74 121.04 2gbv s LYS 9 Ca 0.36 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.91 2gbv s LYS 9 Cb -0.17 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2gbv s LYS 9 CO 0.16 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2gbv n GLY 10 N 1.20 3.54 0.11 -3.33 0.00 -1.25 -0.90 105.19 104.55 2gbv n GLY 10 Ca -0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.46 1.61 3.45 -1.92 -3.46 116.42 114.64 2gbv h ASP 11 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2gbv h ASP 11 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2gbv h ASP 11 CO 0.00 0.67 0.00 0.61 -1.57 0.00 0.00 179.24 178.95 2gbv n GLY 12 N 1.31 1.04 0.04 2.75 0.00 -1.26 -5.01 105.19 104.04 2gbv n GLY 12 Ca -0.02 -1.91 0.14 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.06 0.28 -2.11 1.61 -0.04 -1.26 -4.89 135.00 128.54 2gbv n PRO 13 Ca 0.00 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 2gbv n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.77 3.51 0.05 0.52 1.01 -1.26 -4.51 120.40 116.96 2gbv s VAL 14 Ca 0.20 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 2gbv s VAL 14 Cb 0.19 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 33.07 2gbv s VAL 14 CO 0.53 -0.02 0.51 0.00 0.00 0.00 0.00 175.10 176.12 2gbv s GLN 15 N 2.79 1.03 0.00 2.72 -2.07 -0.93 -3.89 119.66 119.32 2gbv s GLN 15 Ca 0.68 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 2gbv s GLN 15 Cb -0.34 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2gbv s GLN 15 CO 0.28 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 2gbv n GLY 16 N 0.39 -0.26 3.03 2.60 0.00 -1.06 -0.63 105.19 109.26 2gbv n GLY 16 Ca -0.18 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2gbv n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbv s ILE 17 N -2.00 1.48 -0.15 -0.61 1.01 -1.01 -0.19 121.20 119.73 2gbv s ILE 17 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2gbv s ILE 17 Cb 0.00 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2gbv s ILE 17 CO 0.00 0.44 -0.12 -0.63 0.00 0.00 0.00 174.94 174.63 2gbv s ILE 18 N 1.25 2.96 -0.04 2.92 -1.09 -0.22 -2.87 121.20 124.11 2gbv s ILE 18 Ca -0.01 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 2gbv s ILE 18 Cb -0.14 -2.26 -0.04 0.00 -1.58 0.00 0.00 42.46 38.44 2gbv s ILE 18 CO -0.06 0.51 0.16 0.20 -1.23 0.00 0.00 174.94 174.52 2gbv s ASN 19 N 0.69 6.32 -0.05 3.58 0.01 0.16 -0.74 114.94 124.91 2gbv s ASN 19 Ca -0.06 0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.51 2gbv s ASN 19 Cb -0.15 -1.99 -0.01 0.00 0.41 0.00 0.00 41.25 39.51 2gbv s ASN 19 CO 0.02 0.31 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.34 2gbv s PHE 20 N -1.23 2.13 -0.03 2.20 0.40 0.18 -1.15 117.98 120.49 2gbv s PHE 20 Ca 0.23 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 2gbv s PHE 20 Cb -0.12 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 42.01 2gbv s PHE 20 CO 0.14 -0.20 -0.03 -2.00 0.70 0.00 0.00 175.22 173.83 2gbv s GLU 21 N -0.07 0.51 -0.27 0.44 2.12 0.11 -1.13 118.70 120.41 2gbv s GLU 21 Ca -0.04 -0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.21 2gbv s GLU 21 Cb -0.13 -0.57 0.08 0.00 0.26 0.00 0.00 34.13 33.78 2gbv s GLU 21 CO 0.03 -0.03 0.05 -1.14 -0.54 0.00 0.00 175.26 173.63 2gbv s GLN 22 N 0.58 0.95 0.20 4.30 0.74 0.29 -0.33 119.66 126.39 2gbv s GLN 22 Ca -0.07 -1.00 -0.11 0.00 0.05 0.00 0.00 55.36 54.23 2gbv s GLN 22 Cb -0.10 -2.24 0.18 0.00 1.10 0.00 0.00 33.01 31.95 2gbv s GLN 22 CO -0.00 -0.84 1.81 -0.22 -0.55 0.00 0.00 175.29 175.49 2gbv h LYS 23 N 8.05 0.63 -4.98 1.67 3.64 -1.82 -0.63 116.57 123.13 2gbv h LYS 23 Ca -0.14 -0.04 -0.38 0.00 -1.27 0.00 0.00 60.65 58.82 2gbv h LYS 23 Cb 1.05 -0.14 -0.24 0.00 -0.41 0.00 0.00 32.23 32.48 2gbv h LYS 23 CO 0.44 0.42 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.05 2gbv s GLU 24 N -6.12 0.75 0.60 1.90 0.41 -1.26 -4.03 118.70 110.96 2gbv s GLU 24 Ca -0.13 -0.68 0.36 0.00 -0.41 0.00 0.00 54.97 54.11 2gbv s GLU 24 Cb 0.15 -0.70 1.93 0.00 -1.78 0.00 0.00 34.13 33.73 2gbv s GLU 24 CO 0.75 0.17 2.22 0.66 -0.49 0.00 0.00 175.26 178.57 2gbv h SER 25 N 4.95 0.00 -0.31 -0.19 4.64 -1.98 0.22 113.55 120.88 2gbv h SER 25 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2gbv h SER 25 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2gbv h SER 25 CO 0.44 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 2gbv n ASN 26 N -3.34 2.11 -4.90 4.97 6.94 -1.26 -4.92 115.26 114.86 2gbv n ASN 26 Ca -0.02 -1.88 -0.22 0.00 -0.02 0.00 0.00 54.58 52.44 2gbv n ASN 26 Cb 0.15 -0.20 -0.01 0.00 -2.36 0.00 0.00 39.78 37.36 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 -1.29 2.15 0.73 4.83 0.00 0.77 -5.09 107.32 109.43 2gbv s GLY 27 Ca 0.31 -1.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 2gbv s GLY 27 CO 0.23 -1.76 1.17 -4.14 0.00 0.00 0.00 173.10 168.60 2gbv s PRO 28 N -4.23 2.19 -0.23 2.90 0.02 -1.26 -4.89 135.00 129.50 2gbv s PRO 28 Ca 0.46 1.61 -0.09 0.00 0.02 0.00 0.00 61.00 63.00 2gbv s PRO 28 Cb -0.03 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2gbv s PRO 28 CO 0.27 -1.76 0.12 0.08 -0.33 0.00 0.00 177.00 175.39 2gbv s VAL 29 N -2.19 5.05 -0.03 3.83 1.01 0.67 -4.36 120.40 124.37 2gbv s VAL 29 Ca 0.71 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.52 2gbv s VAL 29 Cb -0.26 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2gbv s VAL 29 CO 0.46 0.37 0.72 -0.54 0.00 0.00 0.00 175.10 176.11 2gbv s LYS 30 N 1.03 4.45 -0.14 2.72 1.02 0.55 -1.32 119.74 128.04 2gbv s LYS 30 Ca 0.06 0.95 0.02 0.00 0.02 0.00 0.00 55.97 57.01 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 0.04 0.14 -0.19 0.08 -0.92 0.00 0.00 175.35 174.50 2gbv s VAL 31 N 0.51 1.86 0.07 3.17 1.01 0.15 -0.72 120.40 126.45 2gbv s VAL 31 Ca 0.38 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2gbv s VAL 31 Cb -0.19 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.56 2gbv s VAL 31 CO 0.20 0.51 0.44 -1.66 0.00 0.00 0.00 175.10 174.58 2gbv s TRP 32 N 1.09 -0.29 -5.00 5.22 -2.14 -0.30 -0.23 118.94 117.29 2gbv s TRP 32 Ca -0.02 0.18 0.00 0.00 2.66 0.00 0.00 56.10 58.93 2gbv s TRP 32 Cb -0.14 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.49 2gbv s TRP 32 CO -0.06 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 2gbv n GLY 33 N 0.26 -1.64 3.21 3.67 0.00 -1.01 0.39 105.19 110.07 2gbv n GLY 33 Ca -0.18 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.31 2.87 -0.12 1.61 0.15 -1.14 0.12 113.70 114.88 2gbv s SER 34 Ca 0.00 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.17 2gbv s SER 34 Cb 0.00 -1.10 -0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2gbv s SER 34 CO 0.00 0.17 -0.20 -0.63 1.20 0.00 0.00 173.24 173.78 2gbv s ILE 35 N 0.19 2.31 0.37 6.45 1.01 -0.21 -2.40 121.20 128.91 2gbv s ILE 35 Ca -0.12 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.69 2gbv s ILE 35 Cb -0.16 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2gbv s ILE 35 CO 0.06 0.54 0.13 -1.59 0.00 0.00 0.00 174.94 174.08 2gbv s LYS 36 N 0.53 2.24 0.00 2.79 -2.85 0.19 0.03 119.74 122.67 2gbv s LYS 36 Ca -0.13 -1.71 0.00 0.00 -1.00 0.00 0.00 55.97 53.13 2gbv s LYS 36 Cb -0.17 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2gbv s LYS 36 CO 0.04 0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2gbv n GLY 37 N -1.14 0.67 3.89 0.59 0.00 -0.80 -2.18 105.19 106.22 2gbv n GLY 37 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 3.89 0.51 0.99 1.43 -0.67 -4.35 118.68 120.48 2gbv s LEU 38 Ca 0.00 0.99 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 2gbv s LEU 38 Cb 0.00 -3.85 -0.07 0.00 0.03 0.00 0.00 46.19 42.30 2gbv s LEU 38 CO 0.00 -0.35 1.10 0.42 0.23 0.00 0.00 176.35 177.75 2gbv s THR 39 N -2.30 3.41 0.32 5.49 -4.23 -1.26 -4.10 115.64 112.96 2gbv s THR 39 Ca 0.49 0.89 -0.29 0.00 -1.18 0.00 0.00 61.69 61.59 2gbv s THR 39 Cb -0.10 -3.36 -0.12 0.00 1.34 0.00 0.00 72.50 70.25 2gbv s THR 39 CO 0.32 -0.18 1.43 1.21 -0.54 0.00 0.00 174.62 176.86 2gbv n GLU 40 N -1.11 2.37 0.00 3.99 2.13 -1.26 -4.60 120.64 122.17 2gbv n GLU 40 Ca 0.10 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2gbv n GLU 40 Cb 0.51 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 1.27 -0.36 3.77 8.31 0.00 -0.16 -4.91 105.19 113.11 2gbv n GLY 41 Ca 0.06 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 4.62 -0.04 0.99 1.43 -1.26 -0.98 118.68 123.44 2gbv s LEU 42 Ca 0.00 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2gbv s LEU 42 Cb 0.00 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.82 2gbv s LEU 42 CO 0.00 0.19 0.01 -1.00 0.23 0.00 0.00 176.35 175.78 2gbv s HIS 43 N -1.16 0.36 0.40 0.29 3.76 0.11 -3.04 115.29 116.00 2gbv s HIS 43 Ca 0.38 0.00 -0.24 0.00 -0.15 0.00 0.00 55.06 55.05 2gbv s HIS 43 Cb -0.24 -0.51 -0.11 0.00 1.11 0.00 0.00 32.58 32.82 2gbv s HIS 43 CO 0.29 -0.18 0.91 0.41 -0.85 0.00 0.00 174.74 175.31 2gbv n GLY 44 N 4.55 -0.51 2.78 -2.22 0.00 0.15 -1.12 105.19 108.82 2gbv n GLY 44 Ca -0.18 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.40 0.03 1.61 5.36 -0.18 -0.69 117.98 122.44 2gbv s PHE 45 Ca 0.63 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.83 2gbv s PHE 45 Cb -0.59 -0.32 -0.02 0.00 -0.34 0.00 0.00 43.02 41.75 2gbv s PHE 45 CO 0.57 -0.68 0.01 -1.01 -1.46 0.00 0.00 175.22 172.66 2gbv s HIS 46 N 2.37 0.27 -0.21 10.12 3.76 -0.76 -2.67 115.29 128.16 2gbv s HIS 46 Ca 0.08 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.24 2gbv s HIS 46 Cb -0.15 -0.20 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 2gbv s HIS 46 CO -0.16 -0.26 0.53 0.08 -0.85 0.00 0.00 174.74 174.08 2gbv s VAL 47 N -2.05 5.08 0.28 -0.90 1.01 -0.39 -0.69 120.40 122.76 2gbv s VAL 47 Ca -0.10 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.89 2gbv s VAL 47 Cb -0.05 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2gbv s VAL 47 CO -0.03 0.14 0.42 -1.00 0.00 0.00 0.00 175.10 174.64 2gbv s HIS 48 N 1.84 3.41 0.16 5.22 3.76 0.13 -0.72 115.29 129.10 2gbv s HIS 48 Ca 0.24 0.04 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 2gbv s HIS 48 Cb -0.15 -1.71 0.04 0.00 1.11 0.00 0.00 32.58 31.86 2gbv s HIS 48 CO 0.09 0.29 1.69 1.49 -0.85 0.00 0.00 174.74 177.46 2gbv h GLU 49 N 1.02 0.79 -5.97 1.40 4.81 -0.67 -2.64 114.58 113.32 2gbv h GLU 49 Ca -0.51 -0.16 -0.68 0.00 -0.13 0.00 0.00 59.36 57.88 2gbv h GLU 49 Cb 1.23 -0.12 -0.16 0.00 0.63 0.00 0.00 28.75 30.33 2gbv h GLU 49 CO 0.60 0.73 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.90 2gbv s PHE 50 N -5.45 3.10 -0.32 0.92 0.08 0.14 -4.67 117.98 111.78 2gbv s PHE 50 Ca -0.13 0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.00 2gbv s PHE 50 Cb 0.12 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2gbv s PHE 50 CO 0.79 0.40 2.88 0.41 -0.10 0.00 0.00 175.22 179.59 2gbv n GLY 51 N 2.25 3.96 3.17 4.36 0.00 -1.02 -3.51 105.19 114.41 2gbv n GLY 51 Ca -0.18 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 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 0.76 4.72 -0.25 1.61 -1.08 -1.26 -4.95 116.67 116.22 2gbv s ASP 52 Ca 0.56 -1.18 0.12 0.00 -0.52 0.00 0.00 52.55 51.53 2gbv s ASP 52 Cb 0.34 -1.69 0.53 0.00 -1.46 0.00 0.00 42.92 40.65 2gbv s ASP 52 CO -0.14 -0.22 1.48 -3.20 0.52 0.00 0.00 175.17 173.61 2gbv n ASN 53 N 4.62 3.30 0.17 -0.34 4.05 -1.26 -3.15 115.26 122.65 2gbv n ASN 53 Ca -0.14 -3.38 0.01 0.00 0.45 0.00 0.00 54.58 51.52 2gbv n ASN 53 Cb 0.44 -0.61 0.31 0.00 1.23 0.00 0.00 39.78 41.15 2gbv n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbv h THR 54 N 1.43 1.31 -0.69 -0.44 1.35 -1.93 -2.49 112.91 111.46 2gbv h THR 54 Ca 0.14 -1.48 -0.49 0.00 -0.55 0.00 0.00 66.41 64.03 2gbv h THR 54 Cb 1.65 1.79 -0.35 0.00 -1.73 0.00 0.00 68.15 69.51 2gbv h THR 54 CO 0.36 0.42 -0.49 0.00 -0.25 0.00 0.00 175.52 175.56 2gbv n ALA 55 N -2.46 5.04 -0.98 6.62 0.00 -1.26 -5.05 120.51 122.43 2gbv n ALA 55 Ca -0.02 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.77 2gbv n ALA 55 Cb 0.46 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.81 0.93 0.34 0.00 0.00 -0.94 -3.20 105.19 101.50 2gbv n GLY 56 Ca 0.44 -0.76 0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.98 1.63 -0.99 4.61 0.00 -1.86 -2.37 119.26 119.29 2gbv h ALA 57 Ca 0.00 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2gbv h ALA 57 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2gbv h ALA 57 CO 0.00 -0.25 0.62 1.15 0.00 0.00 0.00 179.25 180.78 2gbv h THR 58 N 0.00 0.96 0.00 0.00 2.02 -1.88 -1.91 112.91 112.10 2gbv h THR 58 Ca 0.06 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2gbv h THR 58 Cb 0.42 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 2gbv h THR 58 CO -0.00 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 2gbv n SER 59 N -4.60 0.00 0.00 4.18 3.41 -0.89 -3.64 113.62 112.07 2gbv n SER 59 Ca 0.18 -1.03 0.10 0.00 -0.26 0.00 0.00 58.87 57.86 2gbv n SER 59 Cb 0.31 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.89 1.99 -0.41 7.33 0.00 -0.72 -4.45 120.51 123.36 2gbv n ALA 60 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gbv n ALA 60 Cb 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 0.59 -1.31 3.00 0.00 0.00 -1.24 -0.68 105.19 105.55 2gbv n GLY 61 Ca 0.07 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.60 -1.18 -1.77 1.61 -0.04 -1.26 -4.54 135.00 127.23 2gbv n PRO 62 Ca 0.00 -1.59 -0.41 0.00 -0.04 0.00 0.00 63.50 61.46 2gbv n PRO 62 Cb 0.00 -1.10 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 -3.53 2.90 -1.82 0.54 8.25 -1.26 -0.85 115.22 119.45 2gbv n HIS 63 Ca 0.13 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.61 2gbv n HIS 63 Cb 0.45 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 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 -1.15 1.77 -0.39 4.41 5.36 0.10 -4.54 117.98 123.54 2gbv s PHE 64 Ca 0.57 -0.09 0.11 0.00 -0.96 0.00 0.00 56.93 56.55 2gbv s PHE 64 Cb -0.46 -4.09 0.35 0.00 -0.34 0.00 0.00 43.02 38.48 2gbv s PHE 64 CO 0.61 -4.71 0.87 -1.71 -1.46 0.00 0.00 175.22 168.82 2gbv n ASN 65 N 6.90 -0.01 0.28 6.13 5.15 -1.26 -1.00 115.26 131.45 2gbv n ASN 65 Ca 0.18 -3.14 0.14 0.00 -0.60 0.00 0.00 54.58 51.16 2gbv n ASN 65 Cb 0.41 0.09 0.80 0.00 -0.53 0.00 0.00 39.78 40.55 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 2.97 0.00 -0.24 1.20 0.13 -1.98 -1.98 132.00 132.09 2gbv h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2gbv h PRO 66 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2gbv h PRO 66 CO 0.39 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.52 2gbv n LEU 67 N -3.56 2.17 -3.75 1.56 4.77 -1.26 -4.97 117.00 111.96 2gbv n LEU 67 Ca -0.02 -0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 54.78 2gbv n LEU 67 Cb 0.21 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2gbv n LEU 67 CO 0.28 0.46 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.49 2gbv n SER 68 N 0.66 -2.40 -4.89 -1.43 7.64 -0.75 -5.01 113.62 107.44 2gbv n SER 68 Ca 0.17 -0.94 -0.23 0.00 1.01 0.00 0.00 58.87 58.88 2gbv n SER 68 Cb 0.40 -3.58 -0.02 0.00 -1.01 0.00 0.00 64.21 60.01 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 -6.09 2.36 0.55 1.43 0.52 -1.26 -5.14 118.95 111.33 2gbv s ARG 69 Ca 0.17 -1.79 -0.05 0.00 -0.52 0.00 0.00 55.73 53.54 2gbv s ARG 69 Cb -0.06 -2.24 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 2gbv s ARG 69 CO 0.85 -0.43 0.85 0.15 0.02 0.00 0.00 175.30 176.73 2gbv s LYS 70 N -4.22 3.09 0.37 3.54 1.02 -1.26 -4.71 119.74 117.55 2gbv s LYS 70 Ca 0.42 -0.01 -0.27 0.00 0.02 0.00 0.00 55.97 56.13 2gbv s LYS 70 Cb -0.02 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.86 2gbv s LYS 70 CO 0.25 -0.53 1.29 -1.58 -0.92 0.00 0.00 175.35 173.86 2gbv s HIS 71 N -2.88 2.97 0.12 3.18 5.65 -0.09 -3.10 115.29 121.14 2gbv s HIS 71 Ca 0.52 1.43 -0.02 0.00 0.25 0.00 0.00 55.06 57.24 2gbv s HIS 71 Cb -0.10 -3.64 0.01 0.00 -1.18 0.00 0.00 32.58 27.67 2gbv s HIS 71 CO 0.44 -1.86 0.19 0.41 -0.65 0.00 0.00 174.74 173.27 2gbv n GLY 72 N 0.74 2.51 3.91 1.59 0.00 -1.25 -4.48 105.19 108.21 2gbv n GLY 72 Ca 0.02 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.74 1.57 0.56 -0.02 0.00 -1.19 -4.68 107.32 101.82 2gbv s GLY 73 Ca 0.09 -0.56 0.24 0.00 0.00 0.00 0.00 44.72 44.49 2gbv s GLY 73 CO 0.06 -0.32 2.19 -0.56 0.00 0.00 0.00 173.10 174.48 2gbv h PRO 74 N -0.04 0.00 0.00 2.90 0.13 -1.86 -0.68 132.00 132.45 2gbv h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gbv h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2gbv h PRO 74 CO 0.61 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.25 2gbv h LYS 75 N 0.00 0.00 -6.90 0.86 1.57 -1.94 -3.46 116.57 106.70 2gbv h LYS 75 Ca 0.02 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.32 2gbv h LYS 75 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2gbv h LYS 75 CO -0.00 0.00 0.37 -0.51 -0.57 0.00 0.00 179.45 178.74 2gbv s ASP 76 N -4.89 7.19 0.11 0.86 1.01 -0.26 -4.97 116.67 115.72 2gbv s ASP 76 Ca 0.08 1.91 -0.15 0.00 0.71 0.00 0.00 52.55 55.09 2gbv s ASP 76 Cb 0.10 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 2gbv s ASP 76 CO 0.56 -0.18 1.46 -0.08 0.21 0.00 0.00 175.17 177.14 2gbv h GLU 77 N 3.03 0.70 -6.02 8.23 4.81 -1.89 -3.38 114.58 120.07 2gbv h GLU 77 Ca -0.47 -0.32 -0.58 0.00 -0.13 0.00 0.00 59.36 57.86 2gbv h GLU 77 Cb 1.20 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 2gbv h GLU 77 CO 0.64 0.93 1.01 -2.00 -0.73 0.00 0.00 179.01 178.86 2gbv s GLU 78 N -4.54 3.27 0.19 1.92 2.56 -1.26 -4.93 118.70 115.91 2gbv s GLU 78 Ca -0.13 -0.64 -0.16 0.00 0.00 0.00 0.00 54.97 54.04 2gbv s GLU 78 Cb 0.09 -4.46 0.02 0.00 2.00 0.00 0.00 34.13 31.79 2gbv s GLU 78 CO 0.82 -2.06 0.48 -0.98 -0.56 0.00 0.00 175.26 172.96 2gbv s ARG 79 N 5.02 1.34 0.41 4.30 1.70 -1.19 -3.80 118.95 126.72 2gbv s ARG 79 Ca 0.34 -0.90 -0.23 0.00 -0.47 0.00 0.00 55.73 54.47 2gbv s ARG 79 Cb -0.08 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 2gbv s ARG 79 CO 0.08 -0.56 0.98 -1.01 -1.08 0.00 0.00 175.30 173.71 2gbv s HIS 80 N -3.88 3.33 0.33 5.89 3.76 -1.18 -4.64 115.29 118.90 2gbv s HIS 80 Ca 0.10 1.65 0.07 0.00 -0.15 0.00 0.00 55.06 56.74 2gbv s HIS 80 Cb -0.00 -2.96 0.77 0.00 1.11 0.00 0.00 32.58 31.50 2gbv s HIS 80 CO -0.03 -0.26 1.83 0.28 -0.85 0.00 0.00 174.74 175.70 2gbv h VAL 81 N 2.07 0.78 0.00 -0.90 2.07 -1.85 -1.49 116.25 116.93 2gbv h VAL 81 Ca -0.48 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2gbv h VAL 81 Cb 1.20 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2gbv h VAL 81 CO 0.62 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2gbv n GLY 82 N -1.39 -0.82 3.55 2.17 0.00 -0.17 -4.42 105.19 104.11 2gbv n GLY 82 Ca 0.20 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.26 6.39 0.00 1.61 1.01 -0.56 -1.26 116.67 121.60 2gbv s ASP 83 Ca 0.27 -1.14 0.24 0.00 0.71 0.00 0.00 52.55 52.63 2gbv s ASP 83 Cb 0.15 -2.56 0.47 0.00 1.01 0.00 0.00 42.92 41.99 2gbv s ASP 83 CO 0.28 -1.61 1.42 0.18 0.21 0.00 0.00 175.17 175.66 2gbv n LEU 84 N 9.00 2.76 0.00 1.23 4.77 -1.09 -3.66 117.00 130.01 2gbv n LEU 84 Ca 0.23 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2gbv n LEU 84 Cb 0.50 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2gbv n LEU 84 CO 0.67 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 2gbv n GLY 85 N 1.35 0.55 3.42 -0.72 0.00 -1.17 -4.77 105.19 103.85 2gbv n GLY 85 Ca 0.17 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 3.33 0.22 1.61 0.01 -1.26 -1.01 114.94 113.84 2gbv s ASN 86 Ca 0.00 -0.94 0.10 0.00 -0.71 0.00 0.00 52.86 51.31 2gbv s ASN 86 Cb 0.00 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.37 2gbv s ASN 86 CO 0.00 0.05 -0.13 0.68 -1.51 0.00 0.00 177.10 176.18 2gbv s VAL 87 N -2.14 2.91 -0.16 1.60 -7.23 -0.27 -4.90 120.40 110.21 2gbv s VAL 87 Ca 0.24 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2gbv s VAL 87 Cb -0.06 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.42 2gbv s VAL 87 CO 0.11 -0.21 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.63 2gbv s THR 88 N -1.95 2.47 -0.06 5.32 2.01 -1.26 -0.72 115.64 121.46 2gbv s THR 88 Ca 0.26 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 2gbv s THR 88 Cb -0.07 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2gbv s THR 88 CO 0.15 0.52 0.38 0.00 -0.69 0.00 0.00 174.62 174.98 2gbv s ALA 89 N 0.91 3.66 1.05 7.40 0.00 -0.15 -4.20 121.76 130.42 2gbv s ALA 89 Ca -0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 2gbv s ALA 89 Cb -0.15 -2.40 0.16 0.00 0.00 0.00 0.00 23.12 20.74 2gbv s ALA 89 CO -0.02 0.34 0.82 -0.40 0.00 0.00 0.00 175.76 176.50 2gbv n ASP 90 N 2.45 -0.49 0.29 0.00 5.68 -0.06 -0.98 116.55 123.42 2gbv n ASP 90 Ca -0.13 -1.19 0.16 0.00 -0.50 0.00 0.00 54.79 53.13 2gbv n ASP 90 Cb 0.52 -0.66 0.93 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.56 0.11 2.10 -1.98 -0.97 116.57 115.28 2gbv h LYS 91 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2gbv h LYS 91 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2gbv h LYS 91 CO 0.19 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.39 2gbv n ASP 92 N -3.77 3.05 -0.01 7.07 8.00 -1.26 -4.87 116.55 124.77 2gbv n ASP 92 Ca -0.02 -1.99 -0.00 0.00 0.71 0.00 0.00 54.79 53.48 2gbv n ASP 92 Cb 0.12 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.85 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 1.41 0.38 3.39 0.44 0.00 -0.37 -4.73 105.19 105.72 2gbv n GLY 93 Ca 0.19 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 3.65 -0.39 1.61 1.01 -1.26 -1.67 120.40 121.35 2gbv s VAL 94 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 2gbv s VAL 94 Cb 0.00 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2gbv s VAL 94 CO 0.00 0.44 0.28 0.00 0.00 0.00 0.00 175.10 175.82 2gbv s ALA 95 N 1.06 3.47 -1.06 5.51 0.00 0.10 -0.88 121.76 129.95 2gbv s ALA 95 Ca 0.01 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 2gbv s ALA 95 Cb -0.15 -2.81 0.13 0.00 0.00 0.00 0.00 23.12 20.30 2gbv s ALA 95 CO 0.01 -1.34 1.31 -0.51 0.00 0.00 0.00 175.76 175.22 2gbv s ASP 96 N 1.68 6.79 0.21 0.00 1.01 -1.26 -1.04 116.67 124.06 2gbv s ASP 96 Ca 0.05 -2.36 -0.30 0.00 0.71 0.00 0.00 52.55 50.64 2gbv s ASP 96 Cb -0.19 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 2gbv s ASP 96 CO 0.10 -0.99 1.40 -0.69 0.21 0.00 0.00 175.17 175.20 2gbv s VAL 97 N 2.59 2.89 -0.28 -1.27 1.01 0.12 -4.89 120.40 120.57 2gbv s VAL 97 Ca 0.39 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2gbv s VAL 97 Cb -0.03 -3.46 0.14 0.00 0.00 0.00 0.00 36.38 33.03 2gbv s VAL 97 CO -0.05 0.10 0.34 -0.55 0.00 0.00 0.00 175.10 174.94 2gbv s SER 98 N 0.48 1.10 0.03 3.32 0.15 -1.25 -2.40 113.70 115.12 2gbv s SER 98 Ca 0.60 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.78 2gbv s SER 98 Cb -0.40 0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2gbv s SER 98 CO 0.39 -0.37 -0.15 -0.63 1.20 0.00 0.00 173.24 173.69 2gbv s ILE 99 N 2.44 1.17 -0.10 6.45 1.01 0.68 -5.00 121.20 127.85 2gbv s ILE 99 Ca 0.10 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.84 2gbv s ILE 99 Cb -0.14 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2gbv s ILE 99 CO -0.30 0.09 -0.15 -0.70 0.00 0.00 0.00 174.94 173.88 2gbv s GLU 100 N -0.96 2.16 -0.04 2.79 2.12 -1.26 0.30 118.70 123.81 2gbv s GLU 100 Ca 0.03 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.82 2gbv s GLU 100 Cb -0.07 -1.80 0.01 0.00 0.26 0.00 0.00 34.13 32.53 2gbv s GLU 100 CO 0.01 -0.01 -0.07 0.34 -0.54 0.00 0.00 175.26 174.99 2gbv s ASP 101 N 0.83 1.11 0.00 -1.70 2.15 -0.44 -4.96 116.67 113.66 2gbv s ASP 101 Ca -0.10 -0.17 0.25 0.00 0.43 0.00 0.00 52.55 52.96 2gbv s ASP 101 Cb -0.16 -0.44 0.39 0.00 -0.30 0.00 0.00 42.92 42.41 2gbv s ASP 101 CO 0.01 0.00 1.35 -1.54 -0.17 0.00 0.00 175.17 174.82 2gbv n SER 102 N 3.71 1.78 -0.13 -0.34 3.41 -1.26 -0.24 113.62 120.56 2gbv n SER 102 Ca -0.22 -1.38 -0.27 0.00 -0.26 0.00 0.00 58.87 56.74 2gbv n SER 102 Cb 0.52 0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.01 1.54 -1.57 -3.33 0.31 -1.26 -4.85 118.33 109.16 2gbv n VAL 103 Ca 0.12 -0.32 -0.34 0.00 -0.01 0.00 0.00 64.34 63.79 2gbv n VAL 103 Cb 0.44 -1.88 0.08 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.47 2.48 0.05 2.52 -4.36 -1.26 -5.04 121.20 113.10 2gbv s ILE 104 Ca -0.36 0.24 -0.03 0.00 -0.26 0.00 0.00 60.65 60.25 2gbv s ILE 104 Cb 0.12 -2.85 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 2gbv s ILE 104 CO 0.53 -0.12 0.02 -0.55 0.24 0.00 0.00 174.94 175.07 2gbv s SER 105 N -2.02 0.34 0.00 4.36 0.15 -1.26 -4.54 113.70 110.72 2gbv s SER 105 Ca 0.74 -0.78 0.24 0.00 0.70 0.00 0.00 55.95 56.85 2gbv s SER 105 Cb -0.28 0.20 0.28 0.00 -1.71 0.00 0.00 66.02 64.51 2gbv s SER 105 CO 0.43 -0.55 1.28 0.18 1.20 0.00 0.00 173.24 175.79 2gbv n LEU 106 N 0.48 2.19 -4.35 3.45 4.77 -1.26 -1.42 117.00 120.86 2gbv n LEU 106 Ca -0.17 -0.75 -0.18 0.00 -0.03 0.00 0.00 56.01 54.88 2gbv n LEU 106 Cb 0.60 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.57 2gbv n LEU 106 CO 0.25 0.38 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.53 2gbv s SER 107 N -2.26 1.52 0.00 -1.43 1.04 -1.26 -4.69 113.70 106.62 2gbv s SER 107 Ca 0.25 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2gbv s SER 107 Cb 0.19 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2gbv s SER 107 CO 0.44 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2gbv n GLY 108 N -0.56 -1.16 0.19 7.32 0.00 -1.26 -3.58 105.19 106.14 2gbv n GLY 108 Ca -0.00 -1.62 0.14 0.00 0.00 0.00 0.00 46.02 44.54 2gbv n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2gbv h ASP 109 N 0.00 0.00 -0.57 1.61 2.03 -2.01 -1.10 116.42 116.39 2gbv h ASP 109 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 2gbv h ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 2gbv h ASP 109 CO 0.00 0.00 0.13 1.41 -1.03 0.00 0.00 179.24 179.75 2gbv n HIS 110 N -2.48 1.92 -1.79 4.15 8.25 -1.26 -5.04 115.22 118.97 2gbv n HIS 110 Ca -0.00 -1.09 -0.37 0.00 -0.26 0.00 0.00 57.72 56.00 2gbv n HIS 110 Cb 0.15 -0.56 0.06 0.00 1.12 0.00 0.00 29.99 30.76 2gbv n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbv s ALA 111 N -2.95 2.41 -2.06 -1.41 0.00 -0.42 -4.55 121.76 112.77 2gbv s ALA 111 Ca 0.51 1.15 0.28 0.00 0.00 0.00 0.00 51.96 53.90 2gbv s ALA 111 Cb 0.41 -3.53 1.12 0.00 0.00 0.00 0.00 23.12 21.12 2gbv s ALA 111 CO 0.11 -1.51 1.78 0.44 0.00 0.00 0.00 175.76 176.59 2gbv n ILE 112 N -1.87 0.00 -1.73 0.00 -5.35 -0.51 -4.89 119.36 105.02 2gbv n ILE 112 Ca 0.15 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2gbv n ILE 112 Cb 0.49 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.59 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 -0.42 0.53 -0.99 7.28 2.08 -1.26 -1.78 119.36 124.80 2gbv n ILE 113 Ca 0.17 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.35 2gbv n ILE 113 Cb 0.31 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.25 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 3.01 0.74 2.10 7.39 0.00 0.10 -4.99 105.19 113.53 2gbv n GLY 114 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.52 0.91 -4.89 1.61 1.74 -0.74 -2.44 116.66 110.33 2gbv n ARG 115 Ca 0.00 -1.77 -0.33 0.00 -0.77 0.00 0.00 57.85 54.98 2gbv n ARG 115 Cb 0.00 0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.30 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 -1.19 2.60 -0.08 0.55 2.01 -1.00 -0.02 115.64 118.51 2gbv s THR 116 Ca 0.26 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.25 2gbv s THR 116 Cb -0.02 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2gbv s THR 116 CO 0.16 0.54 0.53 -0.22 -0.69 0.00 0.00 174.62 174.94 2gbv s LEU 117 N 0.44 4.32 -0.05 4.42 2.96 0.15 0.22 118.68 131.14 2gbv s LEU 117 Ca -0.13 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 54.77 2gbv s LEU 117 Cb -0.17 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.74 2gbv s LEU 117 CO 0.06 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.27 2gbv s VAL 118 N 0.36 1.30 -0.11 1.68 1.01 0.14 -1.45 120.40 123.32 2gbv s VAL 118 Ca 0.28 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2gbv s VAL 118 Cb -0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2gbv s VAL 118 CO 0.13 0.38 -0.02 0.54 0.00 0.00 0.00 175.10 176.14 2gbv s VAL 119 N 0.19 4.13 0.34 2.92 0.11 -0.65 -1.83 120.40 125.61 2gbv s VAL 119 Ca -0.06 -0.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.77 2gbv s VAL 119 Cb -0.12 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2gbv s VAL 119 CO 0.02 0.55 0.25 -1.00 -3.33 0.00 0.00 175.10 171.60 2gbv s HIS 120 N -0.35 2.83 0.17 1.54 3.76 0.14 -1.40 115.29 121.97 2gbv s HIS 120 Ca 0.06 -0.34 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 2gbv s HIS 120 Cb -0.12 -1.77 0.07 0.00 1.11 0.00 0.00 32.58 31.86 2gbv s HIS 120 CO 0.02 0.21 1.83 1.49 -0.85 0.00 0.00 174.74 177.44 2gbv h GLU 121 N 1.33 0.64 -5.27 1.40 4.81 -0.58 -3.37 114.58 113.53 2gbv h GLU 121 Ca -0.44 -0.04 -0.57 0.00 -0.13 0.00 0.00 59.36 58.18 2gbv h GLU 121 Cb 1.25 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.36 2gbv h GLU 121 CO 0.60 0.42 -0.57 0.15 -0.73 0.00 0.00 179.01 178.89 2gbv s LYS 122 N -6.15 1.90 0.39 1.92 1.02 0.14 -4.91 119.74 114.05 2gbv s LYS 122 Ca -0.13 -2.12 -0.27 0.00 0.02 0.00 0.00 55.97 53.47 2gbv s LYS 122 Cb 0.12 -1.11 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 2gbv s LYS 122 CO 0.74 -0.26 1.40 0.00 -0.92 0.00 0.00 175.35 176.31 2gbv s ALA 123 N -3.06 3.42 -0.19 5.17 0.00 -1.17 -0.68 121.76 125.25 2gbv s ALA 123 Ca 0.27 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 2gbv s ALA 123 Cb 0.06 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 2gbv s ALA 123 CO 0.13 -0.96 1.12 0.34 0.00 0.00 0.00 175.76 176.39 2gbv s ASP 124 N -0.42 7.06 0.00 0.00 -1.08 -1.26 -3.79 116.67 117.17 2gbv s ASP 124 Ca 0.55 1.52 0.20 0.00 -0.52 0.00 0.00 52.55 54.29 2gbv s ASP 124 Cb -0.43 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 39.65 2gbv s ASP 124 CO 0.57 -0.68 1.64 -0.90 0.52 0.00 0.00 175.17 176.32 2gbv n ASP 125 N 6.25 0.00 -2.13 -0.34 5.68 0.78 -4.87 116.55 121.91 2gbv n ASP 125 Ca 0.12 -1.06 -0.21 0.00 -0.50 0.00 0.00 54.79 53.15 2gbv n ASP 125 Cb 0.46 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.87 -1.82 0.00 -2.12 4.77 -1.26 -1.76 117.00 113.95 2gbv n LEU 126 Ca 0.15 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2gbv n LEU 126 Cb 0.07 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.24 2gbv n LEU 126 CO 0.11 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 2gbv n GLY 127 N -0.82 0.63 1.33 -0.72 0.00 -1.24 -3.19 105.19 101.18 2gbv n GLY 127 Ca -0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.72 3.49 0.01 1.61 5.02 -0.72 -4.57 118.16 120.27 2gbv n LYS 128 Ca 0.00 -2.99 0.12 0.00 -2.02 0.00 0.00 58.31 53.42 2gbv n LYS 128 Cb 0.00 -2.01 0.25 0.00 -0.02 0.00 0.00 35.03 33.25 2gbv n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gbv n GLY 129 N -0.21 -1.29 2.07 0.72 0.00 -1.26 -4.97 105.19 100.25 2gbv n GLY 129 Ca 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2gbv n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbv n GLY 130 N 1.47 0.51 3.32 -0.02 0.00 -1.26 -4.99 105.19 104.22 2gbv n GLY 130 Ca 0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.63 1.25 0.24 1.61 2.20 -1.26 -5.05 114.94 111.30 2gbv s ASN 131 Ca 0.00 -1.39 -0.05 0.00 -0.94 0.00 0.00 52.86 50.48 2gbv s ASN 131 Cb 0.00 0.16 0.26 0.00 -2.00 0.00 0.00 41.25 39.67 2gbv s ASN 131 CO 0.00 -0.73 1.80 -0.08 -2.94 0.00 0.00 177.10 175.15 2gbv h GLU 132 N 2.37 1.04 -0.48 3.55 4.81 -1.99 -2.24 114.58 121.64 2gbv h GLU 132 Ca -0.38 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 2gbv h GLU 132 Cb 1.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2gbv h GLU 132 CO 0.61 0.88 0.23 1.49 -0.73 0.00 0.00 179.01 181.48 2gbv h GLU 133 N 1.01 0.66 -0.95 1.92 4.57 -1.99 -2.47 114.58 117.34 2gbv h GLU 133 Ca 0.23 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2gbv h GLU 133 Cb 0.26 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2gbv h GLU 133 CO -0.01 0.52 0.63 1.03 -1.18 0.00 0.00 179.01 179.99 2gbv h SER 134 N 0.67 1.05 -0.46 1.04 0.87 -1.74 0.23 113.55 115.20 2gbv h SER 134 Ca 0.17 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2gbv h SER 134 Cb 0.07 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2gbv h SER 134 CO -0.02 0.73 0.00 0.35 -0.53 0.00 0.00 176.83 177.36 2gbv n THR 135 N -4.43 0.70 -0.02 2.23 -2.24 -0.96 -2.05 114.28 107.52 2gbv n THR 135 Ca 0.12 -0.64 -0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2gbv n THR 135 Cb 0.08 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2gbv n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gbv n LYS 136 N 0.83 0.21 -0.00 -0.78 5.02 -0.72 -0.91 118.16 121.81 2gbv n LYS 136 Ca 0.16 0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2gbv n LYS 136 Cb 0.43 -0.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 2gbv n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gbv n THR 137 N -3.77 0.00 -1.04 -0.18 -2.24 0.74 -4.61 114.28 103.18 2gbv n THR 137 Ca -0.09 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 2gbv n THR 137 Cb 0.32 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.10 0.46 3.23 3.38 0.00 -0.87 -3.73 105.19 108.77 2gbv n GLY 138 Ca 0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 -5.54 -0.01 1.61 3.02 -1.25 -0.16 115.26 112.86 2gbv n ASN 139 Ca -0.01 -0.38 0.15 0.00 -0.03 0.00 0.00 54.58 54.30 2gbv n ASN 139 Cb 0.18 -4.47 0.70 0.00 -0.61 0.00 0.00 39.78 35.57 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 -3.81 2.49 -0.08 5.41 0.00 -1.24 -4.71 120.51 118.55 2gbv n ALA 140 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2gbv n ALA 140 Cb 0.59 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.35 -1.28 3.73 0.00 0.00 -1.26 0.27 105.19 107.99 2gbv n GLY 141 Ca 0.12 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 3.48 -0.46 1.61 1.04 -1.26 -4.52 113.70 109.59 2gbv s SER 142 Ca 0.00 1.37 -0.19 0.00 0.48 0.00 0.00 55.95 57.61 2gbv s SER 142 Cb 0.00 -2.05 0.04 0.00 0.10 0.00 0.00 66.02 64.11 2gbv s SER 142 CO 0.00 -2.62 0.58 -0.13 0.98 0.00 0.00 173.24 172.06 2gbv s ARG 143 N -5.00 3.16 0.03 4.02 0.52 -1.26 -0.35 118.95 120.07 2gbv s ARG 143 Ca 0.63 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 55.05 2gbv s ARG 143 Cb -0.17 -4.02 -0.31 0.00 0.52 0.00 0.00 34.95 30.97 2gbv s ARG 143 CO 0.56 -1.06 0.98 -0.07 0.02 0.00 0.00 175.30 175.73 2gbv h LEU 144 N 9.53 0.58 -7.19 2.53 3.38 -1.54 -3.48 115.31 119.12 2gbv h LEU 144 Ca -0.27 -0.68 -0.08 0.00 0.09 0.00 0.00 57.88 56.95 2gbv h LEU 144 Cb 1.10 -0.19 -0.19 0.00 0.09 0.00 0.00 40.66 41.48 2gbv h LEU 144 CO 0.90 1.54 0.02 0.00 0.09 0.00 0.00 178.44 180.99 2gbv s ALA 145 N -2.62 -1.38 0.07 1.53 0.00 -1.15 -4.16 121.76 114.06 2gbv s ALA 145 Ca -0.08 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2gbv s ALA 145 Cb 0.06 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2gbv s ALA 145 CO 0.89 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 176.55 2gbv s ALA 146 N -1.54 -0.51 -0.22 0.00 0.00 -0.08 -1.64 121.76 117.77 2gbv s ALA 146 Ca -0.10 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.37 2gbv s ALA 146 Cb -0.02 0.44 0.06 0.00 0.00 0.00 0.00 23.12 23.60 2gbv s ALA 146 CO 0.06 -0.48 0.61 0.20 0.00 0.00 0.00 175.76 176.14 2gbv s GLY 147 N -2.49 -0.46 0.18 0.00 0.00 -0.53 -1.51 107.32 102.52 2gbv s GLY 147 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 44.72 46.11 2gbv s GLY 147 CO -0.08 1.45 1.19 0.14 0.00 0.00 0.00 173.10 175.80 2gbv s VAL 148 N 0.27 3.62 -0.44 1.40 1.01 -1.26 -0.68 120.40 124.31 2gbv s VAL 148 Ca -0.00 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 2gbv s VAL 148 Cb -0.04 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2gbv s VAL 148 CO 0.01 0.21 1.00 -0.63 0.00 0.00 0.00 175.10 175.69 2gbv s ILE 149 N -0.01 4.42 0.21 2.22 1.01 0.96 -4.48 121.20 125.54 2gbv s ILE 149 Ca 0.53 1.04 0.07 0.00 0.00 0.00 0.00 60.65 62.28 2gbv s ILE 149 Cb -0.32 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 2gbv s ILE 149 CO 0.36 -0.80 0.12 -0.83 0.00 0.00 0.00 174.94 173.79 2gbv s GLY 150 N 2.20 1.61 0.14 6.18 0.00 0.09 0.03 107.32 117.58 2gbv s GLY 150 Ca 0.41 -1.36 -0.31 0.00 0.00 0.00 0.00 44.72 43.46 2gbv s GLY 150 CO 0.26 -1.38 1.51 -0.42 0.00 0.00 0.00 173.10 173.06 2gbv s ILE 151 N -1.93 2.90 0.43 0.90 1.01 -1.26 -1.27 121.20 121.98 2gbv s ILE 151 Ca 0.31 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.65 2gbv s ILE 151 Cb -0.09 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.91 2gbv s ILE 151 CO 0.23 0.05 0.02 0.00 0.00 0.00 0.00 174.94 175.23 2gbv s ALA 152 N 1.23 3.39 0.00 9.38 0.00 -0.64 -4.82 121.76 130.30 2gbv s ALA 152 Ca 0.68 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2gbv s ALA 152 Cb -0.41 0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2gbv s ALA 152 CO 0.31 -0.10 0.40 0.00 0.00 0.00 0.00 175.76 176.36