#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 1.65 0.09 0.00 2.01 -0.64 -5.00 115.64 113.76 2gbv s THR 2 Ca 0.00 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 60.68 2gbv s THR 2 Cb 0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2gbv s THR 2 CO 0.00 0.05 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.31 2gbv s LYS 3 N -1.56 0.88 0.23 4.92 1.02 -1.26 -1.11 119.74 122.85 2gbv s LYS 3 Ca 0.06 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 54.90 2gbv s LYS 3 Cb -0.09 -0.81 -0.01 0.00 -0.52 0.00 0.00 37.83 36.39 2gbv s LYS 3 CO 0.03 0.17 0.36 0.00 -0.92 0.00 0.00 175.35 174.99 2gbv s ALA 4 N -1.68 0.18 -0.08 5.17 0.00 -0.39 -1.73 121.76 123.23 2gbv s ALA 4 Ca 0.02 -1.11 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 2gbv s ALA 4 Cb -0.08 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.23 2gbv s ALA 4 CO 0.02 -0.76 0.47 0.54 0.00 0.00 0.00 175.76 176.04 2gbv s VAL 5 N -4.05 0.02 -0.05 0.00 0.11 -0.12 -0.20 120.40 116.10 2gbv s VAL 5 Ca 0.27 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2gbv s VAL 5 Cb 0.02 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2gbv s VAL 5 CO 0.09 -0.10 -0.06 0.00 -3.33 0.00 0.00 175.10 171.69 2gbv s ALA 6 N -0.73 0.87 -0.34 1.54 0.00 0.27 -0.86 121.76 122.51 2gbv s ALA 6 Ca -0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 2gbv s ALA 6 Cb -0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 2gbv s ALA 6 CO 0.05 -0.02 0.20 0.08 0.00 0.00 0.00 175.76 176.06 2gbv s VAL 7 N 0.94 4.85 -0.16 0.00 1.01 -1.26 -0.73 120.40 125.05 2gbv s VAL 7 Ca -0.10 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2gbv s VAL 7 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2gbv s VAL 7 CO 0.00 -0.04 0.68 -0.76 0.00 0.00 0.00 175.10 174.98 2gbv s LEU 8 N 1.64 4.19 0.04 3.92 1.43 0.24 -3.97 118.68 126.16 2gbv s LEU 8 Ca 0.05 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2gbv s LEU 8 Cb -0.18 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 2gbv s LEU 8 CO 0.08 -0.26 0.07 -0.54 0.23 0.00 0.00 176.35 175.93 2gbv s LYS 9 N 1.70 0.55 0.00 1.70 1.02 -0.69 -1.64 119.74 122.38 2gbv s LYS 9 Ca 0.32 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.55 2gbv s LYS 9 Cb -0.16 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 2gbv s LYS 9 CO 0.12 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2gbv n GLY 10 N 0.84 3.79 0.21 -3.33 0.00 -1.25 -1.25 105.19 104.21 2gbv n GLY 10 Ca -0.19 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.48 1.61 3.32 -1.92 -3.46 116.42 114.48 2gbv h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2gbv n GLY 12 N 0.64 4.01 0.03 2.75 0.00 -1.26 -5.03 105.19 106.32 2gbv n GLY 12 Ca 0.03 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.31 -2.29 1.61 -0.04 -1.26 -4.86 135.00 128.47 2gbv n PRO 13 Ca 0.00 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 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 -2.73 3.86 0.04 0.52 1.01 -1.26 -4.37 120.40 117.46 2gbv s VAL 14 Ca 0.22 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 2gbv s VAL 14 Cb 0.20 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.81 2gbv s VAL 14 CO 0.51 -0.00 0.34 0.00 0.00 0.00 0.00 175.10 175.95 2gbv s GLN 15 N 2.33 0.83 0.09 2.72 -2.07 -0.75 -3.76 119.66 119.04 2gbv s GLN 15 Ca 0.62 -0.42 -0.27 0.00 -1.82 0.00 0.00 55.36 53.47 2gbv s GLN 15 Cb -0.30 0.36 0.08 0.00 -1.09 0.00 0.00 33.01 32.07 2gbv s GLN 15 CO 0.25 -0.27 1.03 0.20 -1.32 0.00 0.00 175.29 175.18 2gbv s GLY 16 N -1.95 -0.29 -0.10 2.60 0.00 -0.65 -0.64 107.32 106.28 2gbv s GLY 16 Ca -0.06 0.37 0.01 0.00 0.00 0.00 0.00 44.72 45.04 2gbv s GLY 16 CO -0.02 0.07 -0.11 -0.42 0.00 0.00 0.00 173.10 172.62 2gbv s ILE 17 N -3.07 1.23 -0.14 0.90 1.01 -0.86 0.79 121.20 121.07 2gbv s ILE 17 Ca 0.12 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2gbv s ILE 17 Cb -0.00 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2gbv s ILE 17 CO -0.00 0.39 -0.22 -0.63 0.00 0.00 0.00 174.94 174.48 2gbv s ILE 18 N 1.21 2.06 0.01 2.92 -1.09 0.09 -2.27 121.20 124.14 2gbv s ILE 18 Ca -0.03 -0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 57.38 2gbv s ILE 18 Cb -0.14 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 2gbv s ILE 18 CO -0.03 0.55 0.21 0.20 -1.23 0.00 0.00 174.94 174.63 2gbv s ASN 19 N 0.78 6.39 0.00 3.58 0.01 0.16 -0.56 114.94 125.30 2gbv s ASN 19 Ca -0.08 0.37 0.06 0.00 -0.71 0.00 0.00 52.86 52.50 2gbv s ASN 19 Cb -0.16 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 2gbv s ASN 19 CO -0.01 0.23 -0.20 -0.36 -1.51 0.00 0.00 177.10 175.25 2gbv s PHE 20 N -1.37 1.76 -0.11 2.20 0.40 0.72 -1.33 117.98 120.24 2gbv s PHE 20 Ca 0.29 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.23 2gbv s PHE 20 Cb -0.13 -1.10 0.05 0.00 0.51 0.00 0.00 43.02 42.34 2gbv s PHE 20 CO 0.21 0.01 0.25 -2.00 0.70 0.00 0.00 175.22 174.38 2gbv s GLU 21 N -0.70 0.21 -0.32 0.44 2.12 -0.02 -1.26 118.70 119.17 2gbv s GLU 21 Ca 0.07 0.52 -0.00 0.00 0.36 0.00 0.00 54.97 55.92 2gbv s GLU 21 Cb -0.08 -0.11 0.10 0.00 0.26 0.00 0.00 34.13 34.31 2gbv s GLU 21 CO 0.00 -0.16 0.11 -1.14 -0.54 0.00 0.00 175.26 173.53 2gbv s GLN 22 N 1.20 0.81 0.29 4.30 0.74 -0.27 -0.00 119.66 126.73 2gbv s GLN 22 Ca -0.09 -1.20 -0.01 0.00 0.05 0.00 0.00 55.36 54.11 2gbv s GLN 22 Cb -0.10 -2.10 0.47 0.00 1.10 0.00 0.00 33.01 32.39 2gbv s GLN 22 CO -0.08 -1.00 1.92 0.87 -0.55 0.00 0.00 175.29 176.45 2gbv h LYS 23 N 7.95 1.07 -5.07 1.67 1.57 -1.82 -1.70 116.57 120.24 2gbv h LYS 23 Ca -0.12 -0.06 -0.40 0.00 -1.87 0.00 0.00 60.65 58.20 2gbv h LYS 23 Cb 1.01 -0.24 -0.25 0.00 0.08 0.00 0.00 32.23 32.83 2gbv h LYS 23 CO 0.47 0.71 -0.78 -1.21 -0.57 0.00 0.00 179.45 178.07 2gbv s GLU 24 N -5.94 0.81 0.16 3.15 2.02 -1.26 -2.42 118.70 115.22 2gbv s GLU 24 Ca -0.12 -0.67 -0.20 0.00 0.02 0.00 0.00 54.97 54.01 2gbv s GLU 24 Cb 0.19 -0.78 0.08 0.00 0.10 0.00 0.00 34.13 33.72 2gbv s GLU 24 CO 0.80 0.19 1.64 0.66 0.02 0.00 0.00 175.26 178.57 2gbv h SER 25 N 5.04 -0.63 -0.64 -0.19 4.64 -1.98 -0.94 113.55 118.85 2gbv h SER 25 Ca -0.36 0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 2gbv h SER 25 Cb 1.18 0.34 -0.07 0.00 -0.31 0.00 0.00 62.40 63.55 2gbv h SER 25 CO 0.44 -0.22 0.13 -0.46 -0.87 0.00 0.00 176.83 175.85 2gbv n ASN 26 N -5.36 5.17 -4.75 4.97 0.23 -1.26 -4.68 115.26 109.58 2gbv n ASN 26 Ca 0.01 -3.10 -0.18 0.00 -0.53 0.00 0.00 54.58 50.78 2gbv n ASN 26 Cb 0.27 -0.71 0.07 0.00 -2.08 0.00 0.00 39.78 37.33 2gbv n ASN 26 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gbv n GLY 27 N 0.15 1.89 3.76 4.83 0.00 -0.36 -5.09 105.19 110.37 2gbv n GLY 27 Ca 0.34 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 2gbv n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbv s PRO 28 N -4.50 2.50 -0.19 1.61 0.04 -1.26 -4.89 135.00 128.31 2gbv s PRO 28 Ca 0.58 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 2gbv s PRO 28 Cb -0.04 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2gbv s PRO 28 CO 0.37 -1.48 -0.00 0.08 0.04 0.00 0.00 177.00 176.00 2gbv s VAL 29 N -2.46 3.99 -0.11 -0.36 1.01 0.83 -4.38 120.40 118.92 2gbv s VAL 29 Ca 0.66 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 2gbv s VAL 29 Cb -0.21 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2gbv s VAL 29 CO 0.46 0.44 0.74 -0.75 0.00 0.00 0.00 175.10 175.99 2gbv s LYS 30 N 0.82 4.37 -0.14 2.72 2.20 0.99 -1.23 119.74 129.46 2gbv s LYS 30 Ca 0.00 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.52 2gbv s LYS 30 Cb -0.14 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2gbv s LYS 30 CO 0.02 -0.10 -0.18 0.08 -0.36 0.00 0.00 175.35 174.81 2gbv s VAL 31 N 1.37 1.79 0.04 4.02 1.01 0.14 -0.84 120.40 127.93 2gbv s VAL 31 Ca 0.37 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2gbv s VAL 31 Cb -0.17 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.63 2gbv s VAL 31 CO 0.16 0.50 0.49 -1.66 0.00 0.00 0.00 175.10 174.58 2gbv s TRP 32 N 1.14 -0.38 -4.66 5.22 -2.14 -0.44 -0.03 118.94 117.65 2gbv s TRP 32 Ca -0.01 0.40 0.00 0.00 2.66 0.00 0.00 56.10 59.15 2gbv s TRP 32 Cb -0.14 0.31 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 2gbv s TRP 32 CO -0.07 -0.62 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 2gbv n GLY 33 N 0.44 -0.33 3.22 3.67 0.00 -0.77 0.37 105.19 111.80 2gbv n GLY 33 Ca -0.18 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.16 -0.04 1.61 0.15 -0.96 -0.58 113.70 109.73 2gbv s SER 34 Ca 0.00 0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.69 2gbv s SER 34 Cb 0.00 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.62 2gbv s SER 34 CO 0.00 -0.45 -0.08 -0.63 1.20 0.00 0.00 173.24 173.28 2gbv s ILE 35 N -1.43 0.74 0.40 6.45 1.01 -0.24 -2.02 121.20 126.11 2gbv s ILE 35 Ca -0.13 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2gbv s ILE 35 Cb -0.05 -0.71 -0.08 0.00 0.01 0.00 0.00 42.46 41.63 2gbv s ILE 35 CO 0.03 0.26 -0.00 -1.59 0.00 0.00 0.00 174.94 173.64 2gbv s LYS 36 N 0.62 1.92 0.00 2.79 -2.85 0.18 -0.01 119.74 122.39 2gbv s LYS 36 Ca -0.10 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.79 2gbv s LYS 36 Cb -0.13 -1.61 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 2gbv s LYS 36 CO 0.01 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.84 2gbv n GLY 37 N -0.93 0.59 3.86 0.59 0.00 -1.02 -1.82 105.19 106.46 2gbv n GLY 37 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.90 0.44 0.99 1.43 -0.73 -4.21 118.68 120.50 2gbv s LEU 38 Ca 0.00 1.24 -0.24 0.00 -1.03 0.00 0.00 54.13 54.10 2gbv s LEU 38 Cb 0.00 -4.10 -0.08 0.00 0.03 0.00 0.00 46.19 42.04 2gbv s LEU 38 CO 0.00 -0.35 1.18 0.42 0.23 0.00 0.00 176.35 177.84 2gbv s THR 39 N -2.25 3.04 0.58 5.49 -4.23 -1.26 -4.12 115.64 112.90 2gbv s THR 39 Ca 0.53 0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 61.66 2gbv s THR 39 Cb -0.10 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 2gbv s THR 39 CO 0.26 0.03 1.31 -1.83 -0.54 0.00 0.00 174.62 173.85 2gbv s GLU 40 N -2.55 2.94 0.00 3.99 -1.05 -1.26 -4.66 118.70 116.10 2gbv s GLU 40 Ca 0.61 2.11 0.00 0.00 -0.15 0.00 0.00 54.97 57.54 2gbv s GLU 40 Cb -0.30 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 2gbv s GLU 40 CO 0.37 -1.31 0.00 0.41 0.95 0.00 0.00 175.26 175.68 2gbv n GLY 41 N 0.75 -0.95 3.78 -3.83 0.00 -0.11 -4.90 105.19 99.93 2gbv n GLY 41 Ca 0.13 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 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 4.52 -0.05 0.99 1.43 -1.26 -1.00 118.68 123.30 2gbv s LEU 42 Ca 0.00 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2gbv s LEU 42 Cb 0.00 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.18 2gbv s LEU 42 CO 0.00 0.19 -0.03 -1.00 0.23 0.00 0.00 176.35 175.74 2gbv s HIS 43 N -0.81 0.74 0.41 0.29 3.76 0.13 -2.46 115.29 117.36 2gbv s HIS 43 Ca 0.33 -0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.77 2gbv s HIS 43 Cb -0.20 -0.71 -0.10 0.00 1.11 0.00 0.00 32.58 32.67 2gbv s HIS 43 CO 0.21 -0.24 1.21 0.41 -0.85 0.00 0.00 174.74 175.48 2gbv n GLY 44 N 4.37 0.35 2.63 -2.22 0.00 -0.46 -1.02 105.19 108.84 2gbv n GLY 44 Ca -0.20 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.20 0.07 0.05 1.61 5.36 -0.14 -0.11 117.98 123.61 2gbv s PHE 45 Ca 0.61 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 2gbv s PHE 45 Cb -0.53 -0.69 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 2gbv s PHE 45 CO 0.58 -0.71 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.55 2gbv s HIS 46 N 2.19 0.66 -0.17 10.12 3.76 -0.64 -2.48 115.29 128.73 2gbv s HIS 46 Ca 0.07 -0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 54.21 2gbv s HIS 46 Cb -0.16 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 2gbv s HIS 46 CO -0.24 -0.10 0.69 0.08 -0.85 0.00 0.00 174.74 174.32 2gbv s VAL 47 N -1.60 4.99 0.22 -0.90 1.01 0.02 -0.50 120.40 123.65 2gbv s VAL 47 Ca -0.08 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.27 2gbv s VAL 47 Cb -0.09 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2gbv s VAL 47 CO -0.00 0.11 0.36 -1.00 0.00 0.00 0.00 175.10 174.57 2gbv s HIS 48 N 1.80 3.47 0.15 5.22 3.76 0.17 -0.71 115.29 129.15 2gbv s HIS 48 Ca 0.32 0.07 -0.16 0.00 -0.15 0.00 0.00 55.06 55.14 2gbv s HIS 48 Cb -0.16 -1.64 0.03 0.00 1.11 0.00 0.00 32.58 31.92 2gbv s HIS 48 CO 0.12 0.43 1.80 1.49 -0.85 0.00 0.00 174.74 177.73 2gbv h GLU 49 N 1.46 0.45 -5.82 1.40 4.81 -0.69 -2.78 114.58 113.40 2gbv h GLU 49 Ca -0.51 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 2gbv h GLU 49 Cb 1.22 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 2gbv h GLU 49 CO 0.64 0.30 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.54 2gbv s PHE 50 N -6.16 3.19 -0.12 0.92 0.08 -0.02 -4.66 117.98 111.21 2gbv s PHE 50 Ca -0.13 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.07 2gbv s PHE 50 Cb 0.11 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.77 2gbv s PHE 50 CO 0.72 0.41 2.15 0.41 -0.10 0.00 0.00 175.22 178.81 2gbv n GLY 51 N 2.40 3.14 3.34 4.36 0.00 -1.02 -3.57 105.19 113.85 2gbv n GLY 51 Ca -0.18 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 1.33 5.34 -0.18 1.61 -1.08 -1.26 -4.94 116.67 117.49 2gbv s ASP 52 Ca 0.17 -0.85 0.17 0.00 -0.52 0.00 0.00 52.55 51.52 2gbv s ASP 52 Cb 0.12 -1.92 0.54 0.00 -1.46 0.00 0.00 42.92 40.20 2gbv s ASP 52 CO -0.01 -0.26 1.44 -3.20 0.52 0.00 0.00 175.17 173.65 2gbv n ASN 53 N 4.89 3.94 -0.18 -0.34 2.85 -1.26 -2.96 115.26 122.19 2gbv n ASN 53 Ca -0.13 -3.03 -0.01 0.00 -0.11 0.00 0.00 54.58 51.30 2gbv n ASN 53 Cb 0.47 -0.55 0.22 0.00 1.24 0.00 0.00 39.78 41.16 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 1.87 1.21 -0.92 -0.44 1.35 -1.92 -1.87 112.91 112.19 2gbv h THR 54 Ca 0.00 -0.55 -0.59 0.00 -0.55 0.00 0.00 66.41 64.73 2gbv h THR 54 Cb 1.47 0.32 -0.39 0.00 -1.73 0.00 0.00 68.15 67.82 2gbv h THR 54 CO 0.24 0.24 -0.38 0.00 -0.25 0.00 0.00 175.52 175.36 2gbv n ALA 55 N -2.44 5.36 -0.70 6.62 0.00 -1.26 -5.06 120.51 123.03 2gbv n ALA 55 Ca 0.06 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.72 2gbv n ALA 55 Cb 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.73 0.44 0.29 0.00 0.00 -0.70 -3.33 105.19 101.16 2gbv n GLY 56 Ca 0.48 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.70 1.52 -0.83 4.61 0.00 -1.86 -2.87 119.26 119.13 2gbv h ALA 57 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2gbv h ALA 57 Cb 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2gbv h ALA 57 CO 0.00 0.04 0.54 1.15 0.00 0.00 0.00 179.25 180.98 2gbv h THR 58 N 0.00 0.91 -0.02 0.00 2.02 -1.89 -1.33 112.91 112.60 2gbv h THR 58 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2gbv h THR 58 Cb 0.08 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2gbv h THR 58 CO 0.00 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.48 2gbv n SER 59 N -4.52 0.22 0.00 4.18 3.41 -1.08 -3.72 113.62 112.11 2gbv n SER 59 Ca 0.15 -1.48 0.12 0.00 -0.26 0.00 0.00 58.87 57.40 2gbv n SER 59 Cb 0.38 -0.01 0.60 0.00 -0.26 0.00 0.00 64.21 64.91 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 -0.63 2.23 -0.42 7.33 0.00 -0.50 -4.40 120.51 124.11 2gbv n ALA 60 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2gbv n ALA 60 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.02 -0.89 2.72 0.00 0.00 -1.24 -0.84 105.19 105.96 2gbv n GLY 61 Ca 0.09 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.31 -0.91 -1.72 1.61 -0.04 -1.26 -4.58 135.00 127.80 2gbv n PRO 62 Ca 0.00 -1.45 -0.43 0.00 -0.04 0.00 0.00 63.50 61.58 2gbv n PRO 62 Cb 0.00 -0.96 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.29 2.59 -1.63 0.54 8.25 -1.26 -0.64 115.22 119.79 2gbv n HIS 63 Ca 0.12 0.33 -0.47 0.00 -0.26 0.00 0.00 57.72 57.43 2gbv n HIS 63 Cb 0.41 -2.54 -0.05 0.00 1.12 0.00 0.00 29.99 28.93 2gbv n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2gbv n PHE 64 N 1.99 2.17 -3.15 4.41 7.35 0.12 -4.53 117.46 125.82 2gbv n PHE 64 Ca 0.09 -0.02 -0.19 0.00 -0.76 0.00 0.00 57.45 56.57 2gbv n PHE 64 Cb 0.35 -2.67 -0.04 0.00 0.35 0.00 0.00 39.48 37.47 2gbv n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2gbv n ASN 65 N 8.17 0.31 0.10 -2.13 5.15 -1.26 -1.67 115.26 123.93 2gbv n ASN 65 Ca 0.27 -2.94 0.03 0.00 -0.60 0.00 0.00 54.58 51.33 2gbv n ASN 65 Cb 0.32 -0.41 0.41 0.00 -0.53 0.00 0.00 39.78 39.56 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 3.39 0.30 -0.21 1.20 0.13 -1.98 -2.58 132.00 132.25 2gbv h PRO 66 Ca 0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2gbv h PRO 66 Cb 0.95 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2gbv h PRO 66 CO 0.46 0.36 0.00 1.28 -0.23 0.00 0.00 178.00 179.87 2gbv n LEU 67 N -4.33 1.64 -3.81 1.56 4.77 -1.26 -4.95 117.00 110.63 2gbv n LEU 67 Ca -0.00 -0.73 -0.25 0.00 -0.03 0.00 0.00 56.01 55.00 2gbv n LEU 67 Cb 0.22 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2gbv n LEU 67 CO 0.37 0.37 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.55 2gbv n SER 68 N 0.33 -2.04 -5.01 -1.43 7.64 -0.97 -4.99 113.62 107.15 2gbv n SER 68 Ca 0.15 -0.84 -0.20 0.00 1.01 0.00 0.00 58.87 58.99 2gbv n SER 68 Cb 0.31 -3.83 0.04 0.00 -1.01 0.00 0.00 64.21 59.72 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 -6.26 2.39 0.46 1.43 0.52 -1.26 -5.12 118.95 111.11 2gbv s ARG 69 Ca 0.20 -1.62 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 2gbv s ARG 69 Cb -0.10 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 2gbv s ARG 69 CO 0.83 -0.73 0.76 0.15 0.02 0.00 0.00 175.30 176.34 2gbv s LYS 70 N -4.56 3.56 0.37 3.54 1.02 -1.26 -4.74 119.74 117.66 2gbv s LYS 70 Ca 0.58 0.18 -0.28 0.00 0.02 0.00 0.00 55.97 56.47 2gbv s LYS 70 Cb -0.06 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 2gbv s LYS 70 CO 0.36 -0.16 1.35 -1.58 -0.92 0.00 0.00 175.35 174.40 2gbv s HIS 71 N -2.67 2.84 0.11 3.18 5.65 -0.24 -3.17 115.29 121.00 2gbv s HIS 71 Ca 0.47 1.35 -0.01 0.00 0.25 0.00 0.00 55.06 57.12 2gbv s HIS 71 Cb -0.10 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 2gbv s HIS 71 CO 0.43 -2.25 0.17 0.41 -0.65 0.00 0.00 174.74 172.85 2gbv n GLY 72 N 0.67 2.67 3.93 1.59 0.00 -1.25 -4.28 105.19 108.51 2gbv n GLY 72 Ca 0.02 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.69 1.55 0.53 -0.02 0.00 -1.15 -4.60 107.32 101.94 2gbv s GLY 73 Ca 0.09 -0.77 0.21 0.00 0.00 0.00 0.00 44.72 44.25 2gbv s GLY 73 CO 0.06 -0.57 2.08 -0.56 0.00 0.00 0.00 173.10 174.12 2gbv h PRO 74 N 0.16 0.00 0.00 2.90 0.13 -1.87 -1.51 132.00 131.81 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 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2gbv h PRO 74 CO 0.60 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.24 2gbv h LYS 75 N 0.00 0.00 -6.80 0.86 1.57 -1.94 -3.46 116.57 106.81 2gbv h LYS 75 Ca 0.11 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.40 2gbv h LYS 75 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2gbv h LYS 75 CO -0.00 0.00 0.38 -0.51 -0.57 0.00 0.00 179.45 178.75 2gbv s ASP 76 N -5.45 7.45 0.16 0.86 1.01 -0.57 -4.96 116.67 115.18 2gbv s ASP 76 Ca 0.05 2.02 -0.11 0.00 0.71 0.00 0.00 52.55 55.22 2gbv s ASP 76 Cb 0.08 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.43 2gbv s ASP 76 CO 0.57 0.01 1.60 -0.08 0.21 0.00 0.00 175.17 177.48 2gbv h GLU 77 N 3.82 0.95 -5.80 8.23 4.57 -1.88 -3.36 114.58 121.10 2gbv h GLU 77 Ca -0.46 -0.32 -0.60 0.00 -1.18 0.00 0.00 59.36 56.80 2gbv h GLU 77 Cb 1.20 -0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 29.60 2gbv h GLU 77 CO 0.67 0.99 0.86 -2.00 -1.18 0.00 0.00 179.01 178.34 2gbv s GLU 78 N -4.94 3.23 0.18 1.92 2.56 -1.26 -4.96 118.70 115.43 2gbv s GLU 78 Ca -0.12 -0.74 -0.15 0.00 0.00 0.00 0.00 54.97 53.96 2gbv s GLU 78 Cb 0.12 -4.39 0.02 0.00 2.00 0.00 0.00 34.13 31.88 2gbv s GLU 78 CO 0.84 -1.97 0.45 -0.98 -0.56 0.00 0.00 175.26 173.03 2gbv s ARG 79 N 4.64 1.29 0.44 4.30 1.70 -1.19 -3.86 118.95 126.26 2gbv s ARG 79 Ca 0.30 -0.93 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 2gbv s ARG 79 Cb -0.11 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 2gbv s ARG 79 CO 0.08 -0.53 0.98 -1.01 -1.08 0.00 0.00 175.30 173.74 2gbv s HIS 80 N -3.89 3.24 0.32 5.89 3.76 -1.20 -4.62 115.29 118.80 2gbv s HIS 80 Ca 0.11 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.69 2gbv s HIS 80 Cb 0.00 -2.93 0.70 0.00 1.11 0.00 0.00 32.58 31.47 2gbv s HIS 80 CO -0.03 -0.32 1.86 0.28 -0.85 0.00 0.00 174.74 175.68 2gbv h VAL 81 N 1.87 0.88 -0.05 -0.90 2.07 -1.85 -1.90 116.25 116.37 2gbv h VAL 81 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2gbv h VAL 81 Cb 1.19 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2gbv h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 2gbv n GLY 82 N -1.40 -0.74 3.54 2.17 0.00 -0.67 -4.38 105.19 103.71 2gbv n GLY 82 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.30 6.24 -0.09 1.61 1.01 -0.72 -0.80 116.67 122.64 2gbv s ASP 83 Ca 0.17 -0.77 0.16 0.00 0.71 0.00 0.00 52.55 52.81 2gbv s ASP 83 Cb 0.08 -2.54 0.54 0.00 1.01 0.00 0.00 42.92 42.01 2gbv s ASP 83 CO 0.13 -1.70 1.46 0.18 0.21 0.00 0.00 175.17 175.44 2gbv n LEU 84 N 8.98 3.93 0.00 1.23 4.77 -1.03 -3.53 117.00 131.34 2gbv n LEU 84 Ca 0.09 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 2gbv n LEU 84 Cb 0.49 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2gbv n LEU 84 CO 0.68 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.12 2gbv n GLY 85 N 0.55 0.91 3.23 -0.72 0.00 -1.20 -4.79 105.19 103.17 2gbv n GLY 85 Ca 0.20 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 2.43 0.16 1.61 0.01 -1.26 -0.97 114.94 112.91 2gbv s ASN 86 Ca 0.00 -0.46 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 2gbv s ASN 86 Cb 0.00 -0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 2gbv s ASN 86 CO 0.00 0.20 0.19 0.68 -1.51 0.00 0.00 177.10 176.65 2gbv s VAL 87 N -0.66 4.79 -0.19 1.60 -7.23 -0.19 -4.91 120.40 113.62 2gbv s VAL 87 Ca 0.08 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2gbv s VAL 87 Cb -0.08 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.44 2gbv s VAL 87 CO 0.01 -0.09 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.65 2gbv s THR 88 N -1.74 1.95 -0.02 5.32 2.01 -1.26 -0.69 115.64 121.21 2gbv s THR 88 Ca 0.32 -1.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 2gbv s THR 88 Cb -0.10 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2gbv s THR 88 CO 0.25 0.38 0.55 0.00 -0.69 0.00 0.00 174.62 175.12 2gbv s ALA 89 N 1.30 3.51 1.08 7.40 0.00 -0.17 -4.24 121.76 130.64 2gbv s ALA 89 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.80 2gbv s ALA 89 Cb -0.15 -2.69 0.20 0.00 0.00 0.00 0.00 23.12 20.48 2gbv s ALA 89 CO -0.11 0.17 0.94 -0.40 0.00 0.00 0.00 175.76 176.36 2gbv n ASP 90 N 2.80 -0.70 0.34 0.00 5.68 -0.11 -0.93 116.55 123.64 2gbv n ASP 90 Ca -0.08 -1.22 0.23 0.00 -0.50 0.00 0.00 54.79 53.22 2gbv n ASP 90 Cb 0.51 -0.77 1.21 0.00 -1.14 0.00 0.00 41.12 40.93 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 -0.38 0.11 2.10 -1.98 0.54 116.57 116.97 2gbv h LYS 91 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2gbv h LYS 91 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2gbv h LYS 91 CO 0.22 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.42 2gbv n ASP 92 N -3.07 2.62 0.00 7.07 8.00 -1.26 -4.88 116.55 125.03 2gbv n ASP 92 Ca -0.03 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2gbv n ASP 92 Cb 0.07 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.31 0.44 3.51 0.44 0.00 0.18 -4.73 105.19 106.36 2gbv n GLY 93 Ca 0.17 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 4.42 -0.34 1.61 1.01 -1.26 -1.77 120.40 122.08 2gbv s VAL 94 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2gbv s VAL 94 Cb 0.00 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2gbv s VAL 94 CO 0.00 0.39 0.16 0.00 0.00 0.00 0.00 175.10 175.66 2gbv s ALA 95 N 1.07 3.23 -0.31 5.51 0.00 0.99 -0.93 121.76 131.32 2gbv s ALA 95 Ca 0.04 -1.56 -0.23 0.00 0.00 0.00 0.00 51.96 50.22 2gbv s ALA 95 Cb -0.14 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 2gbv s ALA 95 CO 0.03 -1.13 0.74 -0.51 0.00 0.00 0.00 175.76 174.89 2gbv s ASP 96 N 1.56 6.61 -0.17 0.00 1.01 -1.26 -1.08 116.67 123.34 2gbv s ASP 96 Ca 0.03 0.57 -0.12 0.00 0.71 0.00 0.00 52.55 53.73 2gbv s ASP 96 Cb -0.18 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2gbv s ASP 96 CO 0.06 -0.59 0.23 -0.69 0.21 0.00 0.00 175.17 174.39 2gbv s VAL 97 N 2.87 5.34 -0.26 -1.27 1.01 0.26 -4.85 120.40 123.51 2gbv s VAL 97 Ca 0.30 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2gbv s VAL 97 Cb -0.14 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.81 2gbv s VAL 97 CO 0.13 0.42 0.37 -0.55 0.00 0.00 0.00 175.10 175.47 2gbv s SER 98 N 0.34 0.46 -0.00 3.32 0.15 -1.25 -1.84 113.70 114.88 2gbv s SER 98 Ca 0.14 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2gbv s SER 98 Cb -0.12 1.03 -0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2gbv s SER 98 CO 0.02 -0.33 -0.05 -0.63 1.20 0.00 0.00 173.24 173.46 2gbv s ILE 99 N 2.52 0.38 -0.10 6.45 1.01 0.95 -5.02 121.20 127.40 2gbv s ILE 99 Ca 0.11 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2gbv s ILE 99 Cb -0.14 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 2gbv s ILE 99 CO -0.22 0.08 -0.24 -0.70 0.00 0.00 0.00 174.94 173.86 2gbv s GLU 100 N -0.19 3.00 -0.02 2.79 2.12 -1.26 0.24 118.70 125.38 2gbv s GLU 100 Ca 0.01 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 54.49 2gbv s GLU 100 Cb -0.02 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2gbv s GLU 100 CO -0.00 0.19 -0.10 0.34 -0.54 0.00 0.00 175.26 175.16 2gbv s ASP 101 N 0.31 1.25 0.00 -1.70 2.15 -0.36 -4.97 116.67 113.34 2gbv s ASP 101 Ca -0.18 -0.19 0.22 0.00 0.43 0.00 0.00 52.55 52.82 2gbv s ASP 101 Cb -0.18 -0.29 -0.14 0.00 -0.30 0.00 0.00 42.92 42.02 2gbv s ASP 101 CO 0.09 0.08 0.97 -1.54 -0.17 0.00 0.00 175.17 174.60 2gbv n SER 102 N 3.18 1.23 -0.08 -0.34 3.41 -1.26 -0.12 113.62 119.64 2gbv n SER 102 Ca -0.17 -1.10 -0.23 0.00 -0.26 0.00 0.00 58.87 57.12 2gbv n SER 102 Cb 0.55 0.84 -0.12 0.00 -0.26 0.00 0.00 64.21 65.21 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 -1.13 1.59 -1.57 -3.33 0.31 -1.26 -4.82 118.33 108.12 2gbv n VAL 103 Ca 0.05 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.81 2gbv n VAL 103 Cb 0.36 -1.93 0.07 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.43 2.83 0.00 2.52 -4.36 -1.26 -5.04 121.20 113.46 2gbv s ILE 104 Ca -0.29 0.39 -0.10 0.00 -0.26 0.00 0.00 60.65 60.39 2gbv s ILE 104 Cb 0.07 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.89 2gbv s ILE 104 CO 0.62 -0.24 0.20 -0.55 0.24 0.00 0.00 174.94 175.21 2gbv s SER 105 N -2.40 -0.04 0.00 4.36 0.15 -1.26 -4.56 113.70 109.95 2gbv s SER 105 Ca 0.70 -0.13 0.26 0.00 0.70 0.00 0.00 55.95 57.47 2gbv s SER 105 Cb -0.24 0.24 0.61 0.00 -1.71 0.00 0.00 66.02 64.93 2gbv s SER 105 CO 0.44 -0.41 1.48 0.18 1.20 0.00 0.00 173.24 176.13 2gbv n LEU 106 N 1.33 0.84 -4.57 3.45 4.77 -1.26 -1.25 117.00 120.30 2gbv n LEU 106 Ca -0.22 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.32 2gbv n LEU 106 Cb 0.56 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2gbv n LEU 106 CO 0.21 0.17 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.25 2gbv s SER 107 N -2.71 3.22 0.00 -1.43 1.04 -1.26 -4.64 113.70 107.91 2gbv s SER 107 Ca 0.18 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.12 2gbv s SER 107 Cb 0.18 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2gbv s SER 107 CO 0.60 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2gbv n GLY 108 N -0.93 -0.68 0.20 7.32 0.00 -1.26 -3.73 105.19 106.10 2gbv n GLY 108 Ca -0.07 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.58 1.61 2.03 -2.00 -2.25 116.42 115.23 2gbv h ASP 109 Ca 0.00 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.98 2gbv h ASP 109 Cb 0.00 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 38.31 2gbv h ASP 109 CO 0.00 0.00 0.12 1.41 -1.03 0.00 0.00 179.24 179.74 2gbv n HIS 110 N -2.60 1.83 -1.93 4.15 8.25 -1.26 -5.05 115.22 118.61 2gbv n HIS 110 Ca 0.01 -1.81 -0.37 0.00 -0.26 0.00 0.00 57.72 55.28 2gbv n HIS 110 Cb 0.21 -0.67 0.03 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.33 2.70 -2.10 -1.41 0.00 -0.85 -4.65 121.76 112.12 2gbv s ALA 111 Ca 0.50 1.15 0.28 0.00 0.00 0.00 0.00 51.96 53.89 2gbv s ALA 111 Cb 0.43 -3.50 1.03 0.00 0.00 0.00 0.00 23.12 21.08 2gbv s ALA 111 CO 0.02 -1.22 1.73 0.44 0.00 0.00 0.00 175.76 176.73 2gbv n ILE 112 N -1.23 0.00 -1.69 0.00 -5.35 -0.38 -4.88 119.36 105.83 2gbv n ILE 112 Ca 0.12 -0.17 -0.44 0.00 -0.27 0.00 0.00 62.75 61.99 2gbv n ILE 112 Cb 0.47 0.32 -0.04 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 -0.34 0.12 -0.61 7.28 2.08 -1.26 -1.84 119.36 124.79 2gbv n ILE 113 Ca 0.16 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.45 2gbv n ILE 113 Cb 0.33 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 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 3.87 0.77 2.25 7.39 0.00 0.68 -5.00 105.19 115.16 2gbv n GLY 114 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.17 0.86 -4.91 1.61 1.74 -0.77 -2.42 116.66 110.60 2gbv n ARG 115 Ca 0.00 -1.88 -0.33 0.00 -0.77 0.00 0.00 57.85 54.87 2gbv n ARG 115 Cb 0.00 -0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.27 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 -1.26 2.79 -0.11 0.55 2.01 -1.05 0.19 115.64 118.76 2gbv s THR 116 Ca 0.29 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2gbv s THR 116 Cb -0.02 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2gbv s THR 116 CO 0.19 0.54 0.51 -0.22 -0.69 0.00 0.00 174.62 174.95 2gbv s LEU 117 N 0.25 4.29 0.00 4.42 2.96 0.34 0.46 118.68 131.41 2gbv s LEU 117 Ca -0.11 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 2gbv s LEU 117 Cb -0.16 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2gbv s LEU 117 CO 0.06 -0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.23 2gbv s VAL 118 N 0.61 1.28 -0.10 1.68 1.01 0.34 -1.49 120.40 123.72 2gbv s VAL 118 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2gbv s VAL 118 Cb -0.16 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2gbv s VAL 118 CO 0.12 0.29 -0.11 0.54 0.00 0.00 0.00 175.10 175.93 2gbv s VAL 119 N -0.49 3.28 0.34 2.92 0.11 -0.60 -1.62 120.40 124.34 2gbv s VAL 119 Ca 0.06 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.58 2gbv s VAL 119 Cb -0.07 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2gbv s VAL 119 CO -0.00 0.55 0.38 -1.00 -3.33 0.00 0.00 175.10 171.69 2gbv s HIS 120 N -0.09 2.98 0.14 1.54 3.76 0.84 -1.38 115.29 123.09 2gbv s HIS 120 Ca -0.01 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.45 2gbv s HIS 120 Cb -0.14 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.68 2gbv s HIS 120 CO 0.03 0.08 1.73 1.49 -0.85 0.00 0.00 174.74 177.22 2gbv h GLU 121 N 1.08 0.16 0.00 1.40 4.81 -0.53 -3.37 114.58 118.12 2gbv h GLU 121 Ca -0.45 -0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.25 2gbv h GLU 121 Cb 1.26 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.48 2gbv h GLU 121 CO 0.56 0.10 -0.46 0.36 -0.73 0.00 0.00 179.01 178.84 2gbv n LYS 122 N -5.09 0.50 -1.91 1.92 2.85 0.31 -4.88 118.16 111.86 2gbv n LYS 122 Ca -0.00 -3.38 -0.40 0.00 -1.05 0.00 0.00 58.31 53.47 2gbv n LYS 122 Cb 0.13 2.23 0.00 0.00 -0.65 0.00 0.00 35.03 36.74 2gbv n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gbv s ALA 123 N -3.21 3.37 -0.23 0.58 0.00 -1.03 -1.36 121.76 119.89 2gbv s ALA 123 Ca 0.29 1.41 -0.27 0.00 0.00 0.00 0.00 51.96 53.38 2gbv s ALA 123 Cb 0.01 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2gbv s ALA 123 CO 0.20 -0.99 0.95 0.34 0.00 0.00 0.00 175.76 176.27 2gbv s ASP 124 N -0.46 7.00 0.00 0.00 -1.08 -1.26 -3.74 116.67 117.13 2gbv s ASP 124 Ca 0.56 1.25 0.21 0.00 -0.52 0.00 0.00 52.55 54.05 2gbv s ASP 124 Cb -0.42 -2.50 1.26 0.00 -1.46 0.00 0.00 42.92 39.80 2gbv s ASP 124 CO 0.56 -0.60 1.71 -0.90 0.52 0.00 0.00 175.17 176.47 2gbv n ASP 125 N 6.13 0.00 -1.61 -0.34 5.68 0.73 -4.88 116.55 122.26 2gbv n ASP 125 Ca 0.09 -1.01 -0.16 0.00 -0.50 0.00 0.00 54.79 53.21 2gbv n ASP 125 Cb 0.47 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 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 -0.89 -1.52 0.00 -2.12 4.77 -1.26 -1.82 117.00 114.16 2gbv n LEU 126 Ca 0.16 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2gbv n LEU 126 Cb 0.07 -2.37 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 2gbv n LEU 126 CO 0.12 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 2gbv n GLY 127 N -1.00 0.54 1.29 -0.72 0.00 -1.25 -2.91 105.19 101.13 2gbv n GLY 127 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.62 2.66 0.18 1.61 4.76 -0.75 -4.54 118.16 119.45 2gbv n LYS 128 Ca 0.00 -2.55 0.14 0.00 -2.87 0.00 0.00 58.31 53.03 2gbv n LYS 128 Cb 0.03 -1.55 0.48 0.00 -1.84 0.00 0.00 35.03 32.15 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 4.33 0.00 0.00 0.72 0.00 -1.90 -3.47 103.07 102.76 2gbv h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gbv h GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2gbv n GLY 130 N 0.44 0.67 3.59 4.60 0.00 -1.26 -4.99 105.19 108.25 2gbv n GLY 130 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 3.50 0.26 1.61 2.20 -1.26 -5.05 114.94 113.82 2gbv s ASN 131 Ca 0.00 -1.43 -0.05 0.00 -0.94 0.00 0.00 52.86 50.44 2gbv s ASN 131 Cb 0.00 -0.15 0.31 0.00 -2.00 0.00 0.00 41.25 39.41 2gbv s ASN 131 CO 0.00 -0.57 1.92 -0.33 -2.94 0.00 0.00 177.10 175.18 2gbv h GLU 132 N 1.79 1.22 -0.27 3.55 5.08 -2.00 -2.76 114.58 121.20 2gbv h GLU 132 Ca -0.43 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 57.76 2gbv h GLU 132 Cb 1.25 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2gbv h GLU 132 CO 0.76 0.84 -0.15 1.49 -1.00 0.00 0.00 179.01 180.95 2gbv h GLU 133 N 1.25 0.46 -0.80 2.33 4.57 -2.00 -2.31 114.58 118.08 2gbv h GLU 133 Ca 0.33 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2gbv h GLU 133 Cb -0.08 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2gbv h GLU 133 CO -0.06 0.60 0.43 1.03 -1.18 0.00 0.00 179.01 179.83 2gbv h SER 134 N 0.42 1.00 0.59 1.04 0.87 -1.83 0.92 113.55 116.56 2gbv h SER 134 Ca 0.08 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2gbv h SER 134 Cb 0.51 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2gbv h SER 134 CO 0.03 0.81 0.00 0.35 -0.53 0.00 0.00 176.83 177.49 2gbv n THR 135 N -4.34 0.36 -0.04 2.23 -2.24 -0.88 -2.14 114.28 107.23 2gbv n THR 135 Ca 0.08 0.09 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 2gbv n THR 135 Cb 0.10 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.39 0.32 0.00 -0.78 5.02 -0.92 -1.07 118.16 119.34 2gbv n LYS 136 Ca 0.08 0.13 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 2gbv n LYS 136 Cb 0.22 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 -4.02 0.00 -1.28 -0.18 -2.24 0.27 -4.65 114.28 102.19 2gbv n THR 137 Ca -0.13 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2gbv n THR 137 Cb 0.38 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.09 1.08 3.22 3.38 0.00 -0.91 -3.50 105.19 109.55 2gbv n GLY 138 Ca 0.01 -0.40 -0.23 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 -0.00 -4.84 0.03 1.61 3.02 -1.25 -0.20 115.26 113.62 2gbv n ASN 139 Ca -0.10 -0.35 0.14 0.00 -0.03 0.00 0.00 54.58 54.24 2gbv n ASN 139 Cb 0.36 -3.95 0.56 0.00 -0.61 0.00 0.00 39.78 36.15 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 -3.58 2.30 -0.10 5.41 0.00 -1.23 -4.67 120.51 118.65 2gbv n ALA 140 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2gbv n ALA 140 Cb 0.58 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.41 -0.73 3.68 0.00 0.00 -1.26 -0.53 105.19 107.75 2gbv n GLY 141 Ca 0.07 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 2.68 -0.44 1.61 1.04 -1.26 -4.54 113.70 108.79 2gbv s SER 142 Ca 0.00 1.23 -0.15 0.00 0.48 0.00 0.00 55.95 57.50 2gbv s SER 142 Cb 0.00 -1.90 0.04 0.00 0.10 0.00 0.00 66.02 64.27 2gbv s SER 142 CO 0.00 -3.10 0.36 -0.13 0.98 0.00 0.00 173.24 171.35 2gbv s ARG 143 N -4.95 2.99 0.04 4.02 0.52 -1.26 -0.28 118.95 120.02 2gbv s ARG 143 Ca 0.65 -1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 2gbv s ARG 143 Cb -0.19 -4.04 -0.34 0.00 0.52 0.00 0.00 34.95 30.90 2gbv s ARG 143 CO 0.58 -0.88 1.03 -0.07 0.02 0.00 0.00 175.30 175.98 2gbv h LEU 144 N 8.75 0.78 -7.23 2.53 3.38 -1.53 -3.47 115.31 118.51 2gbv h LEU 144 Ca -0.28 -0.83 -0.07 0.00 0.09 0.00 0.00 57.88 56.79 2gbv h LEU 144 Cb 1.11 -0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 2gbv h LEU 144 CO 0.80 1.65 0.00 0.00 0.09 0.00 0.00 178.44 180.98 2gbv s ALA 145 N -2.61 -1.29 0.07 1.53 0.00 -1.18 -4.06 121.76 114.21 2gbv s ALA 145 Ca -0.08 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 2gbv s ALA 145 Cb 0.05 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.47 2gbv s ALA 145 CO 0.94 -0.44 0.38 0.00 0.00 0.00 0.00 175.76 176.63 2gbv s ALA 146 N -2.08 -0.88 -0.20 0.00 0.00 -0.38 -1.56 121.76 116.66 2gbv s ALA 146 Ca -0.07 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 2gbv s ALA 146 Cb -0.01 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.62 2gbv s ALA 146 CO 0.01 -0.50 0.66 0.20 0.00 0.00 0.00 175.76 176.13 2gbv s GLY 147 N -2.29 -0.51 0.16 0.00 0.00 -0.56 -1.71 107.32 102.41 2gbv s GLY 147 Ca -0.02 1.73 -0.30 0.00 0.00 0.00 0.00 44.72 46.13 2gbv s GLY 147 CO -0.06 1.45 1.11 0.14 0.00 0.00 0.00 173.10 175.75 2gbv s VAL 148 N -0.01 3.91 -0.47 1.40 1.01 -1.26 -0.50 120.40 124.48 2gbv s VAL 148 Ca -0.03 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 2gbv s VAL 148 Cb -0.04 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2gbv s VAL 148 CO 0.03 0.25 1.11 -0.63 0.00 0.00 0.00 175.10 175.86 2gbv s ILE 149 N -0.04 4.26 0.23 2.22 1.01 0.13 -4.48 121.20 124.53 2gbv s ILE 149 Ca 0.51 1.20 0.08 0.00 0.00 0.00 0.00 60.65 62.44 2gbv s ILE 149 Cb -0.29 -4.57 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 2gbv s ILE 149 CO 0.34 -0.96 0.06 -0.83 0.00 0.00 0.00 174.94 173.55 2gbv s GLY 150 N 2.38 1.61 0.10 6.18 0.00 -0.04 -0.23 107.32 117.32 2gbv s GLY 150 Ca 0.46 -1.50 -0.31 0.00 0.00 0.00 0.00 44.72 43.38 2gbv s GLY 150 CO 0.30 -1.54 1.40 -0.42 0.00 0.00 0.00 173.10 172.84 2gbv s ILE 151 N -2.10 3.32 0.28 0.90 1.01 -1.26 -0.94 121.20 122.41 2gbv s ILE 151 Ca 0.31 0.93 0.08 0.00 0.00 0.00 0.00 60.65 61.96 2gbv s ILE 151 Cb -0.08 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2gbv s ILE 151 CO 0.21 0.06 0.17 0.00 0.00 0.00 0.00 174.94 175.38 2gbv s ALA 152 N 1.29 3.54 -2.00 9.38 0.00 -0.71 -4.82 121.76 128.45 2gbv s ALA 152 Ca 0.65 -1.56 0.25 0.00 0.00 0.00 0.00 51.96 51.30 2gbv s ALA 152 Cb -0.36 -1.10 1.51 0.00 0.00 0.00 0.00 23.12 23.16 2gbv s ALA 152 CO 0.30 0.18 1.87 0.94 0.00 0.00 0.00 175.76 179.04