#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 2.96 0.01 0.00 2.01 -0.22 -4.97 115.64 115.43 2gbv s THR 2 Ca 0.00 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.33 2gbv s THR 2 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2gbv s THR 2 CO 0.00 0.56 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.74 2gbv s LYS 3 N -0.26 1.56 0.20 4.92 1.02 -1.26 -0.86 119.74 125.06 2gbv s LYS 3 Ca 0.01 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 2gbv s LYS 3 Cb -0.13 -1.60 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 2gbv s LYS 3 CO 0.03 0.42 0.16 0.00 -0.92 0.00 0.00 175.35 175.04 2gbv s ALA 4 N -0.65 1.07 -0.01 5.17 0.00 -0.31 -1.09 121.76 125.95 2gbv s ALA 4 Ca 0.08 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.20 2gbv s ALA 4 Cb -0.08 1.37 0.04 0.00 0.00 0.00 0.00 23.12 24.44 2gbv s ALA 4 CO 0.01 -0.61 0.42 0.54 0.00 0.00 0.00 175.76 176.12 2gbv s VAL 5 N -4.15 0.04 -0.04 0.00 0.11 -0.03 -0.44 120.40 115.90 2gbv s VAL 5 Ca 0.38 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2gbv s VAL 5 Cb 0.06 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2gbv s VAL 5 CO 0.12 -0.20 -0.04 0.00 -3.33 0.00 0.00 175.10 171.65 2gbv s ALA 6 N -1.53 0.58 -0.39 1.54 0.00 -0.07 -0.55 121.76 121.33 2gbv s ALA 6 Ca -0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2gbv s ALA 6 Cb -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2gbv s ALA 6 CO 0.04 0.00 0.27 0.08 0.00 0.00 0.00 175.76 176.16 2gbv s VAL 7 N 0.79 5.12 -0.22 0.00 1.01 -1.26 -1.02 120.40 124.82 2gbv s VAL 7 Ca -0.10 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 2gbv s VAL 7 Cb -0.13 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 2gbv s VAL 7 CO -0.00 -0.26 0.89 -0.76 0.00 0.00 0.00 175.10 174.97 2gbv s LEU 8 N 1.66 4.11 0.10 3.92 1.43 0.21 -3.91 118.68 126.20 2gbv s LEU 8 Ca 0.05 1.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2gbv s LEU 8 Cb -0.19 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2gbv s LEU 8 CO 0.09 -0.53 -0.09 -0.54 0.23 0.00 0.00 176.35 175.52 2gbv s LYS 9 N 2.75 0.84 0.00 1.70 1.02 -0.23 -2.05 119.74 123.78 2gbv s LYS 9 Ca 0.38 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.15 2gbv s LYS 9 Cb -0.16 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2gbv s LYS 9 CO 0.08 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 2gbv n GLY 10 N 0.34 2.97 0.12 -3.33 0.00 -1.24 -0.74 105.19 103.31 2gbv n GLY 10 Ca -0.15 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.71 1.61 3.32 -1.91 -3.47 116.42 114.26 2gbv h ASP 11 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 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 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2gbv n GLY 12 N 1.24 2.03 0.11 2.75 0.00 -1.26 -5.01 105.19 105.05 2gbv n GLY 12 Ca 0.03 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.18 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 0.88 -2.55 1.61 -0.04 -1.26 -4.85 135.00 128.79 2gbv n PRO 13 Ca 0.00 -0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 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 -2.28 4.42 0.05 0.52 1.01 -1.26 -4.10 120.40 118.76 2gbv s VAL 14 Ca 0.36 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.88 2gbv s VAL 14 Cb 0.21 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2gbv s VAL 14 CO 0.42 -0.34 0.27 0.00 0.00 0.00 0.00 175.10 175.45 2gbv s GLN 15 N 3.63 0.78 -0.08 2.72 -2.07 -0.78 -3.65 119.66 120.21 2gbv s GLN 15 Ca 0.49 -0.57 -0.32 0.00 -1.82 0.00 0.00 55.36 53.14 2gbv s GLN 15 Cb -0.16 0.33 0.14 0.00 -1.09 0.00 0.00 33.01 32.24 2gbv s GLN 15 CO 0.15 -0.25 1.41 0.20 -1.32 0.00 0.00 175.29 175.48 2gbv s GLY 16 N -2.14 -0.49 -0.11 2.60 0.00 -0.87 -0.13 107.32 106.19 2gbv s GLY 16 Ca -0.04 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.62 2gbv s GLY 16 CO -0.04 0.17 -0.18 -0.42 0.00 0.00 0.00 173.10 172.63 2gbv s ILE 17 N -2.10 1.68 -0.13 0.90 1.01 -0.96 0.67 121.20 122.27 2gbv s ILE 17 Ca 0.15 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2gbv s ILE 17 Cb 0.07 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2gbv s ILE 17 CO -0.06 0.48 -0.21 -0.63 0.00 0.00 0.00 174.94 174.51 2gbv s ILE 18 N 0.77 2.18 0.05 2.92 -1.09 -0.18 -2.53 121.20 123.31 2gbv s ILE 18 Ca -0.10 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.36 2gbv s ILE 18 Cb -0.16 -1.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.81 2gbv s ILE 18 CO 0.01 0.55 0.19 0.20 -1.23 0.00 0.00 174.94 174.66 2gbv s ASN 19 N 0.67 6.28 -0.01 3.58 0.01 0.22 -0.89 114.94 124.79 2gbv s ASN 19 Ca -0.10 0.26 0.05 0.00 -0.71 0.00 0.00 52.86 52.36 2gbv s ASN 19 Cb -0.16 -1.92 -0.01 0.00 0.41 0.00 0.00 41.25 39.56 2gbv s ASN 19 CO 0.01 0.19 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.28 2gbv s PHE 20 N -1.45 1.41 -0.11 2.20 0.40 0.41 -1.44 117.98 119.40 2gbv s PHE 20 Ca 0.33 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2gbv s PHE 20 Cb -0.13 -0.91 0.04 0.00 0.51 0.00 0.00 43.02 42.53 2gbv s PHE 20 CO 0.25 -0.02 0.28 -2.00 0.70 0.00 0.00 175.22 174.43 2gbv s GLU 21 N -0.43 0.29 -0.23 0.44 2.12 -0.05 -1.16 118.70 119.69 2gbv s GLU 21 Ca 0.06 0.46 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2gbv s GLU 21 Cb -0.06 0.05 0.08 0.00 0.26 0.00 0.00 34.13 34.45 2gbv s GLU 21 CO -0.00 -0.09 0.09 -1.14 -0.54 0.00 0.00 175.26 173.58 2gbv s GLN 22 N 0.62 0.29 0.15 4.30 0.74 -0.04 -0.37 119.66 125.35 2gbv s GLN 22 Ca -0.04 -0.39 -0.12 0.00 0.05 0.00 0.00 55.36 54.86 2gbv s GLN 22 Cb -0.05 -1.70 0.02 0.00 1.10 0.00 0.00 33.01 32.37 2gbv s GLN 22 CO -0.04 -0.80 1.61 -0.22 -0.55 0.00 0.00 175.29 175.29 2gbv h LYS 23 N 8.35 0.86 -6.45 1.67 3.64 -1.84 -0.57 116.57 122.23 2gbv h LYS 23 Ca -0.17 -0.26 -0.65 0.00 -1.27 0.00 0.00 60.65 58.30 2gbv h LYS 23 Cb 1.09 -0.08 -0.27 0.00 -0.41 0.00 0.00 32.23 32.56 2gbv h LYS 23 CO 0.36 0.89 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.36 2gbv s GLU 24 N -5.06 1.66 0.53 1.90 0.41 -1.26 -3.72 118.70 113.16 2gbv s GLU 24 Ca -0.12 -1.01 0.24 0.00 -0.41 0.00 0.00 54.97 53.67 2gbv s GLU 24 Cb 0.12 -1.79 1.46 0.00 -1.78 0.00 0.00 34.13 32.14 2gbv s GLU 24 CO 0.82 0.46 2.12 0.66 -0.49 0.00 0.00 175.26 178.83 2gbv h SER 25 N 4.92 0.00 -0.41 -0.19 4.64 -1.98 -0.87 113.55 119.66 2gbv h SER 25 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2gbv h SER 25 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2gbv h SER 25 CO 0.44 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 2gbv n ASN 26 N -3.93 4.51 -4.94 4.97 6.94 -1.26 -4.89 115.26 116.66 2gbv n ASN 26 Ca -0.02 -2.85 -0.25 0.00 -0.02 0.00 0.00 54.58 51.43 2gbv n ASN 26 Cb 0.18 -0.57 0.01 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.39 2.24 0.73 4.83 0.00 -0.33 -5.12 107.32 108.27 2gbv s GLY 27 Ca 0.46 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 2gbv s GLY 27 CO 0.13 -1.91 1.07 2.56 0.00 0.00 0.00 173.10 174.96 2gbv s PRO 28 N -4.40 2.65 -0.24 2.90 0.04 -1.26 -4.85 135.00 129.84 2gbv s PRO 28 Ca 0.39 0.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2gbv s PRO 28 Cb -0.03 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2gbv s PRO 28 CO 0.25 -1.29 0.08 0.08 0.04 0.00 0.00 177.00 176.16 2gbv s VAL 29 N -3.06 4.44 -0.15 -0.36 1.01 0.26 -4.34 120.40 118.20 2gbv s VAL 29 Ca 0.59 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 2gbv s VAL 29 Cb -0.14 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 2gbv s VAL 29 CO 0.55 0.35 1.01 -0.54 0.00 0.00 0.00 175.10 176.46 2gbv s LYS 30 N 1.46 4.36 -0.20 2.72 1.02 0.51 -0.70 119.74 128.91 2gbv s LYS 30 Ca 0.06 1.36 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 2gbv s LYS 30 Cb -0.15 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 2gbv s LYS 30 CO 0.04 -0.41 -0.12 0.08 -0.92 0.00 0.00 175.35 174.01 2gbv s VAL 31 N 2.39 2.65 0.09 3.17 1.01 0.14 -0.87 120.40 128.99 2gbv s VAL 31 Ca 0.46 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 2gbv s VAL 31 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2gbv s VAL 31 CO 0.14 0.46 0.27 -1.66 0.00 0.00 0.00 175.10 174.31 2gbv s TRP 32 N 1.37 0.00 -5.00 5.22 -2.14 -0.52 0.86 118.94 118.73 2gbv s TRP 32 Ca 0.05 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.45 2gbv s TRP 32 Cb -0.14 0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.29 2gbv s TRP 32 CO -0.08 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 2gbv n GLY 33 N -0.02 -0.36 3.22 3.67 0.00 -0.52 0.68 105.19 111.87 2gbv n GLY 33 Ca -0.16 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 2gbv n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbv s SER 34 N -4.00 -0.23 -0.05 1.61 1.04 -1.05 -0.47 113.70 110.54 2gbv s SER 34 Ca 0.00 0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.75 2gbv s SER 34 Cb 0.00 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 2gbv s SER 34 CO 0.00 -0.32 -0.18 -0.63 0.98 0.00 0.00 173.24 173.10 2gbv s ILE 35 N -0.76 1.50 0.42 -1.02 1.01 -0.41 -2.27 121.20 119.66 2gbv s ILE 35 Ca -0.09 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.89 2gbv s ILE 35 Cb -0.04 -1.30 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 2gbv s ILE 35 CO 0.03 0.43 0.01 -1.59 0.00 0.00 0.00 174.94 173.82 2gbv s LYS 36 N 0.16 1.97 0.00 2.79 -2.85 0.82 0.12 119.74 122.76 2gbv s LYS 36 Ca -0.07 -2.14 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 2gbv s LYS 36 Cb -0.13 -1.56 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 2gbv s LYS 36 CO 0.03 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.79 2gbv n GLY 37 N -0.99 0.57 3.86 0.59 0.00 -0.96 -1.86 105.19 106.40 2gbv n GLY 37 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 4.20 0.37 0.99 1.43 -0.98 -4.28 118.68 120.42 2gbv s LEU 38 Ca 0.00 0.99 -0.27 0.00 -1.03 0.00 0.00 54.13 53.82 2gbv s LEU 38 Cb 0.00 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 2gbv s LEU 38 CO 0.00 -0.04 1.28 0.42 0.23 0.00 0.00 176.35 178.24 2gbv s THR 39 N -1.75 2.75 0.23 5.49 -4.23 -1.26 -4.10 115.64 112.76 2gbv s THR 39 Ca 0.46 0.70 -0.31 0.00 -1.18 0.00 0.00 61.69 61.36 2gbv s THR 39 Cb -0.12 -3.42 -0.14 0.00 1.34 0.00 0.00 72.50 70.15 2gbv s THR 39 CO 0.20 0.13 1.16 1.21 -0.54 0.00 0.00 174.62 176.78 2gbv n GLU 40 N 0.42 1.44 0.00 3.99 2.13 -1.26 -4.67 120.64 122.68 2gbv n GLU 40 Ca 0.02 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2gbv n GLU 40 Cb 0.43 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 30.15 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 1.70 -0.02 3.86 8.31 0.00 0.19 -4.93 105.19 114.30 2gbv n GLY 41 Ca 0.12 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 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 4.41 -0.03 0.99 1.43 -1.26 -0.45 118.68 123.77 2gbv s LEU 42 Ca 0.00 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2gbv s LEU 42 Cb 0.00 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.69 2gbv s LEU 42 CO 0.00 0.30 -0.02 -1.00 0.23 0.00 0.00 176.35 175.86 2gbv s HIS 43 N -1.18 0.48 0.48 0.29 3.76 -0.60 -2.10 115.29 116.43 2gbv s HIS 43 Ca 0.24 -0.08 -0.23 0.00 -0.15 0.00 0.00 55.06 54.84 2gbv s HIS 43 Cb -0.14 -0.47 -0.08 0.00 1.11 0.00 0.00 32.58 33.00 2gbv s HIS 43 CO 0.13 -0.13 1.19 0.41 -0.85 0.00 0.00 174.74 175.48 2gbv n GLY 44 N 3.91 0.30 2.68 -2.22 0.00 0.22 -1.62 105.19 108.45 2gbv n GLY 44 Ca -0.24 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.29 -0.12 0.05 1.61 5.36 -0.22 -0.39 117.98 122.99 2gbv s PHE 45 Ca 0.66 -0.31 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 2gbv s PHE 45 Cb -0.48 -0.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.58 2gbv s PHE 45 CO 0.54 -0.78 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.44 2gbv s HIS 46 N 2.25 0.69 -0.26 10.12 3.76 -0.70 -2.16 115.29 129.00 2gbv s HIS 46 Ca 0.08 -0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 54.19 2gbv s HIS 46 Cb -0.15 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 2gbv s HIS 46 CO -0.27 -0.11 0.62 0.08 -0.85 0.00 0.00 174.74 174.21 2gbv s VAL 47 N -1.88 4.99 0.33 -0.90 1.01 -0.14 -0.68 120.40 123.13 2gbv s VAL 47 Ca -0.06 1.08 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2gbv s VAL 47 Cb -0.07 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2gbv s VAL 47 CO -0.01 0.02 0.55 -1.00 0.00 0.00 0.00 175.10 174.66 2gbv s HIS 48 N 2.49 3.50 0.20 5.22 3.76 0.28 -0.81 115.29 129.93 2gbv s HIS 48 Ca 0.26 0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 55.50 2gbv s HIS 48 Cb -0.15 -1.96 0.13 0.00 1.11 0.00 0.00 32.58 31.71 2gbv s HIS 48 CO 0.09 0.13 1.83 1.49 -0.85 0.00 0.00 174.74 177.43 2gbv h GLU 49 N 1.03 0.98 -6.03 1.40 4.81 -0.84 -2.61 114.58 113.33 2gbv h GLU 49 Ca -0.49 -0.10 -0.68 0.00 -0.13 0.00 0.00 59.36 57.96 2gbv h GLU 49 Cb 1.21 -0.20 -0.18 0.00 0.63 0.00 0.00 28.75 30.21 2gbv h GLU 49 CO 0.63 0.71 -0.67 -0.06 -0.73 0.00 0.00 179.01 178.89 2gbv s PHE 50 N -5.92 3.01 -0.30 0.92 0.08 0.40 -4.69 117.98 111.47 2gbv s PHE 50 Ca -0.13 0.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 2gbv s PHE 50 Cb 0.14 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2gbv s PHE 50 CO 0.79 0.34 2.72 0.41 -0.10 0.00 0.00 175.22 179.38 2gbv n GLY 51 N 2.30 3.88 3.20 4.36 0.00 -1.02 -3.39 105.19 114.53 2gbv n GLY 51 Ca -0.18 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 0.77 4.71 -0.24 1.61 -1.08 -1.26 -4.93 116.67 116.25 2gbv s ASP 52 Ca 0.50 -1.07 0.13 0.00 -0.52 0.00 0.00 52.55 51.59 2gbv s ASP 52 Cb 0.31 -1.71 0.56 0.00 -1.46 0.00 0.00 42.92 40.62 2gbv s ASP 52 CO -0.11 -0.21 1.50 -3.20 0.52 0.00 0.00 175.17 173.67 2gbv n ASN 53 N 4.67 3.61 0.25 -0.34 5.15 -1.26 -3.03 115.26 124.30 2gbv n ASN 53 Ca -0.14 -3.28 0.13 0.00 -0.60 0.00 0.00 54.58 50.69 2gbv n ASN 53 Cb 0.45 -0.61 0.57 0.00 -0.53 0.00 0.00 39.78 39.66 2gbv n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2gbv h THR 54 N 1.67 0.30 -0.47 -0.44 1.35 -1.93 -2.43 112.91 110.96 2gbv h THR 54 Ca 0.12 -0.82 -0.35 0.00 -0.55 0.00 0.00 66.41 64.81 2gbv h THR 54 Cb 1.67 1.64 -0.32 0.00 -1.73 0.00 0.00 68.15 69.41 2gbv h THR 54 CO 0.36 0.11 -0.80 0.00 -0.25 0.00 0.00 175.52 174.95 2gbv n ALA 55 N -2.17 4.17 -0.48 6.62 0.00 -1.26 -5.06 120.51 122.35 2gbv n ALA 55 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2gbv n ALA 55 Cb 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.72 0.09 0.28 0.00 0.00 -0.92 -3.30 105.19 100.62 2gbv n GLY 56 Ca 0.30 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.48 1.35 -0.96 4.61 0.00 -1.87 -3.03 119.26 118.89 2gbv h ALA 57 Ca 0.00 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2gbv h ALA 57 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 2gbv h ALA 57 CO 0.00 0.09 0.60 1.15 0.00 0.00 0.00 179.25 181.10 2gbv h THR 58 N 0.00 0.80 -0.01 0.00 2.02 -1.88 -1.73 112.91 112.11 2gbv h THR 58 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2gbv h THR 58 Cb 0.21 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 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 -4.63 0.29 0.01 4.18 3.41 -1.15 -3.73 113.62 112.00 2gbv n SER 59 Ca 0.20 -1.18 0.09 0.00 -0.26 0.00 0.00 58.87 57.72 2gbv n SER 59 Cb 0.50 -0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.84 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 -0.73 1.84 -0.09 7.33 0.00 -0.65 -4.46 120.51 123.74 2gbv n ALA 60 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2gbv n ALA 60 Cb 0.15 -1.30 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 0.39 -1.85 3.71 0.00 0.00 -1.24 -0.46 105.19 105.73 2gbv n GLY 61 Ca 0.04 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2gbv n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbv s PRO 62 N 0.00 -0.61 0.30 1.61 0.04 -1.26 -4.58 135.00 130.50 2gbv s PRO 62 Ca 0.00 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.56 2gbv s PRO 62 Cb 0.00 -1.68 -0.12 0.00 0.04 0.00 0.00 34.50 32.74 2gbv s PRO 62 CO 0.00 -3.28 1.45 0.72 0.04 0.00 0.00 177.00 175.93 2gbv n HIS 63 N -4.43 2.54 -1.65 0.56 8.25 -1.26 -1.03 115.22 118.20 2gbv n HIS 63 Ca 0.14 0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 57.58 2gbv n HIS 63 Cb 0.59 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 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 -0.46 1.23 -0.39 4.41 5.36 0.01 -4.55 117.98 123.59 2gbv s PHE 64 Ca 0.61 -0.11 0.10 0.00 -0.96 0.00 0.00 56.93 56.57 2gbv s PHE 64 Cb -0.55 -4.14 0.30 0.00 -0.34 0.00 0.00 43.02 38.29 2gbv s PHE 64 CO 0.55 -5.06 0.66 -1.71 -1.46 0.00 0.00 175.22 168.20 2gbv n ASN 65 N 9.01 0.22 0.29 6.13 5.15 -1.26 -1.43 115.26 133.37 2gbv n ASN 65 Ca 0.23 -2.92 0.19 0.00 -0.60 0.00 0.00 54.58 51.49 2gbv n ASN 65 Cb 0.42 -0.39 0.86 0.00 -0.53 0.00 0.00 39.78 40.14 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 3.48 0.00 -0.47 1.20 0.13 -1.98 -2.67 132.00 131.70 2gbv h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2gbv h PRO 66 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2gbv h PRO 66 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 2gbv n LEU 67 N -3.05 3.07 -3.71 1.56 4.77 -1.26 -4.98 117.00 113.40 2gbv n LEU 67 Ca -0.01 -1.44 -0.24 0.00 -0.03 0.00 0.00 56.01 54.30 2gbv n LEU 67 Cb 0.22 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2gbv n LEU 67 CO 0.24 0.72 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.73 2gbv n SER 68 N 1.20 -2.38 -3.85 -1.43 7.64 -1.01 -5.00 113.62 108.79 2gbv n SER 68 Ca 0.19 -0.89 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 2gbv n SER 68 Cb 0.51 -3.81 -0.03 0.00 -1.01 0.00 0.00 64.21 59.88 2gbv n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gbv n ARG 69 N -4.19 1.08 -3.96 1.43 1.74 -1.26 -5.16 116.66 106.34 2gbv n ARG 69 Ca -0.24 -2.44 -0.21 0.00 -0.77 0.00 0.00 57.85 54.19 2gbv n ARG 69 Cb 0.66 0.52 -0.02 0.00 -1.02 0.00 0.00 32.46 32.59 2gbv n ARG 69 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gbv s LYS 70 N -3.35 3.44 0.61 5.56 -0.14 -1.26 -4.80 119.74 119.80 2gbv s LYS 70 Ca 0.08 -0.75 -0.18 0.00 -1.36 0.00 0.00 55.97 53.76 2gbv s LYS 70 Cb -0.01 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 2gbv s LYS 70 CO 0.05 0.43 1.17 -1.58 -0.76 0.00 0.00 175.35 174.66 2gbv s HIS 71 N -1.98 2.46 0.00 3.18 5.65 -1.06 -3.20 115.29 120.34 2gbv s HIS 71 Ca 0.34 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.19 2gbv s HIS 71 Cb -0.09 -3.38 0.00 0.00 -1.18 0.00 0.00 32.58 27.93 2gbv s HIS 71 CO 0.29 -2.02 0.00 0.41 -0.65 0.00 0.00 174.74 172.77 2gbv n GLY 72 N 0.24 2.13 3.98 1.59 0.00 -1.26 -4.57 105.19 107.30 2gbv n GLY 72 Ca 0.13 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.78 1.75 0.01 -0.02 0.00 -1.20 -4.51 107.32 102.57 2gbv s GLY 73 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 44.72 43.14 2gbv s GLY 73 CO 0.00 -1.12 1.27 -0.56 0.00 0.00 0.00 173.10 172.69 2gbv h PRO 74 N 0.36 -0.29 0.00 2.90 0.13 -1.87 -2.99 132.00 130.24 2gbv h PRO 74 Ca -0.43 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2gbv h PRO 74 Cb 1.28 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2gbv h PRO 74 CO 0.52 0.04 0.00 1.63 -0.23 0.00 0.00 178.00 179.96 2gbv n LYS 75 N -5.07 0.27 -2.72 0.86 4.76 -1.26 -4.69 118.16 110.31 2gbv n LYS 75 Ca -0.09 0.11 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 2gbv n LYS 75 Cb 0.24 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.52 6.69 -0.06 4.39 1.01 -1.13 -5.02 116.67 120.02 2gbv s ASP 76 Ca 0.17 1.44 -0.21 0.00 0.71 0.00 0.00 52.55 54.66 2gbv s ASP 76 Cb 0.12 -2.45 -0.16 0.00 1.01 0.00 0.00 42.92 41.44 2gbv s ASP 76 CO 0.26 -0.43 0.83 -0.08 0.21 0.00 0.00 175.17 175.96 2gbv h GLU 77 N 1.43 -0.15 -6.43 8.23 4.57 -1.83 -3.44 114.58 116.96 2gbv h GLU 77 Ca -0.47 0.01 -0.57 0.00 -1.18 0.00 0.00 59.36 57.15 2gbv h GLU 77 Cb 1.18 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.74 2gbv h GLU 77 CO 0.63 0.34 0.86 -2.00 -1.18 0.00 0.00 179.01 177.66 2gbv s GLU 78 N -3.18 3.95 -0.02 1.92 2.56 -1.26 -4.96 118.70 117.70 2gbv s GLU 78 Ca -0.13 0.89 -0.30 0.00 0.00 0.00 0.00 54.97 55.43 2gbv s GLU 78 Cb 0.00 -3.79 0.12 0.00 2.00 0.00 0.00 34.13 32.45 2gbv s GLU 78 CO 0.49 -1.06 1.25 -0.98 -0.56 0.00 0.00 175.26 174.40 2gbv s ARG 79 N 3.91 0.46 0.44 4.30 1.04 -1.23 -4.11 118.95 123.75 2gbv s ARG 79 Ca 0.46 -0.25 -0.22 0.00 -1.04 0.00 0.00 55.73 54.68 2gbv s ARG 79 Cb -0.10 0.16 -0.09 0.00 -2.04 0.00 0.00 34.95 32.88 2gbv s ARG 79 CO 0.21 -0.21 1.02 -1.01 -0.04 0.00 0.00 175.30 175.27 2gbv s HIS 80 N -2.51 3.17 0.33 5.89 3.76 -1.19 -4.70 115.29 120.04 2gbv s HIS 80 Ca 0.13 1.62 0.06 0.00 -0.15 0.00 0.00 55.06 56.72 2gbv s HIS 80 Cb 0.04 -3.05 0.72 0.00 1.11 0.00 0.00 32.58 31.40 2gbv s HIS 80 CO -0.03 -0.60 1.85 0.28 -0.85 0.00 0.00 174.74 175.39 2gbv h VAL 81 N 1.89 0.86 0.00 -0.90 2.07 -1.88 -1.42 116.25 116.86 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 1.21 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2gbv h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2gbv n GLY 82 N -1.40 -1.31 3.55 2.17 0.00 -0.51 -4.45 105.19 103.24 2gbv n GLY 82 Ca 0.18 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.99 5.50 -0.25 1.61 1.01 -0.54 -0.97 116.67 120.03 2gbv s ASP 83 Ca 0.12 0.01 0.13 0.00 0.71 0.00 0.00 52.55 53.51 2gbv s ASP 83 Cb 0.15 -2.54 0.61 0.00 1.01 0.00 0.00 42.92 42.15 2gbv s ASP 83 CO 0.43 -2.26 1.57 0.18 0.21 0.00 0.00 175.17 175.30 2gbv n LEU 84 N 11.97 4.72 0.00 1.23 4.77 -0.92 -3.75 117.00 135.03 2gbv n LEU 84 Ca 0.19 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.92 2gbv n LEU 84 Cb 0.51 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2gbv n LEU 84 CO 0.70 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 2gbv n GLY 85 N -0.49 2.31 3.22 -0.72 0.00 -1.21 -4.73 105.19 103.57 2gbv n GLY 85 Ca 0.31 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 2.37 0.14 1.61 0.01 -1.26 -1.05 114.94 112.76 2gbv s ASN 86 Ca 0.00 -0.40 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 2gbv s ASN 86 Cb 0.00 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 2gbv s ASN 86 CO 0.00 0.22 0.25 0.68 -1.51 0.00 0.00 177.10 176.74 2gbv s VAL 87 N -0.56 5.18 -0.24 1.60 -7.23 -0.64 -4.92 120.40 113.60 2gbv s VAL 87 Ca 0.08 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2gbv s VAL 87 Cb -0.08 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.21 2gbv s VAL 87 CO -0.00 -0.07 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.78 2gbv s THR 88 N -1.72 3.23 -0.12 5.32 2.01 -1.26 -1.55 115.64 121.54 2gbv s THR 88 Ca 0.34 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2gbv s THR 88 Cb -0.11 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 2gbv s THR 88 CO 0.28 0.32 0.39 0.00 -0.69 0.00 0.00 174.62 174.92 2gbv s ALA 89 N 1.43 3.55 1.03 7.40 0.00 0.40 -4.05 121.76 131.51 2gbv s ALA 89 Ca 0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 51.96 51.62 2gbv s ALA 89 Cb -0.15 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.55 2gbv s ALA 89 CO -0.03 0.09 0.50 -0.40 0.00 0.00 0.00 175.76 175.92 2gbv n ASP 90 N 3.44 -0.39 0.12 0.00 5.68 -0.44 -0.64 116.55 124.32 2gbv n ASP 90 Ca -0.10 -1.07 0.15 0.00 -0.50 0.00 0.00 54.79 53.28 2gbv n ASP 90 Cb 0.52 -0.40 0.69 0.00 -1.14 0.00 0.00 41.12 40.79 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 -1.97 -0.85 116.57 115.40 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 0.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2gbv h LYS 91 CO 0.12 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 2gbv n ASP 92 N -4.36 3.12 -0.41 7.07 8.00 -1.26 -4.85 116.55 123.86 2gbv n ASP 92 Ca 0.04 -2.16 -0.05 0.00 0.71 0.00 0.00 54.79 53.32 2gbv n ASP 92 Cb 0.38 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.09 0.80 3.45 0.44 0.00 -0.32 -4.75 105.19 105.89 2gbv n GLY 93 Ca 0.18 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.19 4.02 -0.33 1.61 1.01 -1.26 -2.26 120.40 121.00 2gbv s VAL 94 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2gbv s VAL 94 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2gbv s VAL 94 CO 0.00 0.42 0.18 0.00 0.00 0.00 0.00 175.10 175.70 2gbv s ALA 95 N 1.05 3.31 -0.57 5.51 0.00 0.12 -1.33 121.76 129.85 2gbv s ALA 95 Ca 0.02 -1.47 -0.21 0.00 0.00 0.00 0.00 51.96 50.30 2gbv s ALA 95 Cb -0.14 -2.47 0.06 0.00 0.00 0.00 0.00 23.12 20.57 2gbv s ALA 95 CO 0.02 -1.03 0.81 -0.51 0.00 0.00 0.00 175.76 175.04 2gbv s ASP 96 N 1.61 6.23 -0.11 0.00 1.01 -1.26 -1.29 116.67 122.87 2gbv s ASP 96 Ca 0.04 -0.88 -0.20 0.00 0.71 0.00 0.00 52.55 52.22 2gbv s ASP 96 Cb -0.18 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2gbv s ASP 96 CO 0.07 -1.16 0.55 -0.69 0.21 0.00 0.00 175.17 174.15 2gbv s VAL 97 N 3.36 5.14 -0.30 -1.27 1.01 0.38 -4.92 120.40 123.79 2gbv s VAL 97 Ca 0.20 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.31 2gbv s VAL 97 Cb -0.18 -3.89 0.16 0.00 0.00 0.00 0.00 36.38 32.47 2gbv s VAL 97 CO 0.12 0.29 0.40 -0.55 0.00 0.00 0.00 175.10 175.36 2gbv s SER 98 N 0.71 0.60 0.06 3.32 0.15 -1.25 -1.44 113.70 115.84 2gbv s SER 98 Ca 0.29 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.44 2gbv s SER 98 Cb -0.16 0.99 -0.03 0.00 -1.71 0.00 0.00 66.02 65.12 2gbv s SER 98 CO 0.13 -0.35 -0.17 -0.63 1.20 0.00 0.00 173.24 173.42 2gbv s ILE 99 N 2.40 1.37 -0.03 6.45 1.01 0.25 -5.01 121.20 127.64 2gbv s ILE 99 Ca 0.10 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.62 2gbv s ILE 99 Cb -0.13 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 2gbv s ILE 99 CO -0.28 0.01 -0.23 -1.61 0.00 0.00 0.00 174.94 172.83 2gbv s GLU 100 N -1.39 2.05 -0.03 2.79 2.02 -1.26 0.24 118.70 123.11 2gbv s GLU 100 Ca 0.03 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2gbv s GLU 100 Cb -0.09 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2gbv s GLU 100 CO 0.02 0.45 0.08 0.34 0.02 0.00 0.00 175.26 176.17 2gbv s ASP 101 N -0.39 -0.08 -0.00 -0.19 2.15 0.13 -4.96 116.67 113.31 2gbv s ASP 101 Ca 0.05 0.16 0.07 0.00 0.43 0.00 0.00 52.55 53.26 2gbv s ASP 101 Cb -0.10 0.16 0.21 0.00 -0.30 0.00 0.00 42.92 42.88 2gbv s ASP 101 CO 0.01 -0.03 1.17 -1.54 -0.17 0.00 0.00 175.17 174.60 2gbv n SER 102 N 3.10 2.63 -0.12 -0.34 3.41 -1.26 0.92 113.62 121.96 2gbv n SER 102 Ca -0.13 -2.03 -0.21 0.00 -0.26 0.00 0.00 58.87 56.24 2gbv n SER 102 Cb 0.59 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.14 1.31 -1.81 -3.33 0.31 -1.26 -4.92 118.33 108.77 2gbv n VAL 103 Ca 0.08 -0.41 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 2gbv n VAL 103 Cb 0.38 -1.58 0.04 0.00 -0.91 0.00 0.00 33.84 31.77 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 -2.44 3.21 0.03 2.52 -4.36 -1.26 -5.02 121.20 113.87 2gbv s ILE 104 Ca -0.32 0.58 -0.05 0.00 -0.26 0.00 0.00 60.65 60.61 2gbv s ILE 104 Cb 0.11 -3.11 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 2gbv s ILE 104 CO 0.47 -0.33 0.07 -0.55 0.24 0.00 0.00 174.94 174.84 2gbv s SER 105 N -2.48 0.19 0.00 4.36 0.15 -1.26 -4.61 113.70 110.05 2gbv s SER 105 Ca 0.68 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 57.06 2gbv s SER 105 Cb -0.21 0.20 0.44 0.00 -1.71 0.00 0.00 66.02 64.74 2gbv s SER 105 CO 0.40 -0.47 1.38 0.18 1.20 0.00 0.00 173.24 175.93 2gbv n LEU 106 N 0.94 1.99 -4.27 3.45 4.77 -1.26 -1.48 117.00 121.14 2gbv n LEU 106 Ca -0.20 -0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 54.95 2gbv n LEU 106 Cb 0.58 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2gbv n LEU 106 CO 0.22 0.35 -0.20 -0.94 -1.33 0.00 0.00 177.39 175.49 2gbv s SER 107 N -2.24 0.97 0.00 -1.43 1.04 -1.26 -4.72 113.70 106.07 2gbv s SER 107 Ca 0.27 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2gbv s SER 107 Cb 0.20 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2gbv s SER 107 CO 0.43 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2gbv n GLY 108 N -0.45 -1.02 0.20 7.32 0.00 -1.26 -3.99 105.19 105.99 2gbv n GLY 108 Ca 0.03 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 -2.29 116.42 115.20 2gbv h ASP 109 Ca 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.00 2gbv h ASP 109 Cb 0.00 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 38.32 2gbv h ASP 109 CO 0.00 0.00 0.16 1.41 -1.03 0.00 0.00 179.24 179.78 2gbv n HIS 110 N -2.71 1.76 -1.48 4.15 8.25 -1.26 -5.05 115.22 118.89 2gbv n HIS 110 Ca 0.02 -1.70 -0.34 0.00 -0.26 0.00 0.00 57.72 55.44 2gbv n HIS 110 Cb 0.33 -0.65 0.09 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.27 2.16 -1.74 -1.41 0.00 -0.87 -4.66 121.76 111.97 2gbv s ALA 111 Ca 0.49 0.87 0.26 0.00 0.00 0.00 0.00 51.96 53.58 2gbv s ALA 111 Cb 0.43 -3.46 0.67 0.00 0.00 0.00 0.00 23.12 20.76 2gbv s ALA 111 CO 0.03 -1.81 1.51 0.44 0.00 0.00 0.00 175.76 175.94 2gbv n ILE 112 N -2.64 0.00 -1.70 0.00 -5.35 -0.55 -4.91 119.36 104.21 2gbv n ILE 112 Ca 0.13 -0.13 -0.44 0.00 -0.27 0.00 0.00 62.75 62.04 2gbv n ILE 112 Cb 0.50 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 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 -0.64 0.29 -0.80 7.28 2.08 -1.26 -1.72 119.36 124.59 2gbv n ILE 113 Ca 0.12 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.35 2gbv n ILE 113 Cb 0.36 -1.75 0.00 0.00 -0.75 0.00 0.00 39.64 37.50 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 3.24 0.73 3.27 7.39 0.00 0.15 -5.00 105.19 114.98 2gbv n GLY 114 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.45 0.72 -4.68 1.61 1.74 -0.70 -2.42 116.66 110.48 2gbv n ARG 115 Ca 0.00 -2.76 -0.33 0.00 -0.77 0.00 0.00 57.85 53.99 2gbv n ARG 115 Cb 0.00 0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.31 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 -2.16 2.83 -0.11 0.55 2.01 -0.98 -0.11 115.64 117.67 2gbv s THR 116 Ca 0.41 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 2gbv s THR 116 Cb -0.03 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2gbv s THR 116 CO 0.26 0.52 0.58 -0.22 -0.69 0.00 0.00 174.62 175.07 2gbv s LEU 117 N 0.58 4.28 -0.05 4.42 2.96 -0.36 0.10 118.68 130.61 2gbv s LEU 117 Ca -0.09 0.96 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2gbv s LEU 117 Cb -0.16 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.67 2gbv s LEU 117 CO 0.03 -0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 2gbv s VAL 118 N 0.83 1.22 -0.12 1.68 1.01 0.15 -1.81 120.40 123.35 2gbv s VAL 118 Ca 0.31 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2gbv s VAL 118 Cb -0.16 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2gbv s VAL 118 CO 0.13 0.36 0.02 0.54 0.00 0.00 0.00 175.10 176.15 2gbv s VAL 119 N 0.30 4.42 0.35 2.92 0.11 -0.59 -1.71 120.40 126.20 2gbv s VAL 119 Ca -0.08 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.86 2gbv s VAL 119 Cb -0.13 -2.91 -0.02 0.00 -1.53 0.00 0.00 36.38 31.79 2gbv s VAL 119 CO 0.03 0.55 0.32 -1.00 -3.33 0.00 0.00 175.10 171.67 2gbv s HIS 120 N -0.37 2.90 0.09 1.54 3.76 0.48 -0.98 115.29 122.70 2gbv s HIS 120 Ca 0.08 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.46 2gbv s HIS 120 Cb -0.12 -1.87 -0.11 0.00 1.11 0.00 0.00 32.58 31.59 2gbv s HIS 120 CO 0.02 0.12 1.67 1.49 -0.85 0.00 0.00 174.74 177.18 2gbv h GLU 121 N 1.18 0.19 -5.88 1.40 4.81 -0.30 -3.37 114.58 112.60 2gbv h GLU 121 Ca -0.44 -0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.19 2gbv h GLU 121 Cb 1.26 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.53 2gbv h GLU 121 CO 0.57 0.23 -0.44 0.15 -0.73 0.00 0.00 179.01 178.79 2gbv s LYS 122 N -5.76 2.27 0.34 1.92 1.02 0.13 -4.89 119.74 114.77 2gbv s LYS 122 Ca -0.13 -1.88 -0.28 0.00 0.02 0.00 0.00 55.97 53.69 2gbv s LYS 122 Cb 0.07 -2.02 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 2gbv s LYS 122 CO 0.69 -0.24 1.25 0.00 -0.92 0.00 0.00 175.35 176.13 2gbv s ALA 123 N -2.64 3.40 -0.08 5.17 0.00 -0.89 -0.61 121.76 126.12 2gbv s ALA 123 Ca 0.38 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2gbv s ALA 123 Cb 0.02 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2gbv s ALA 123 CO 0.21 -0.57 1.10 0.34 0.00 0.00 0.00 175.76 176.84 2gbv s ASP 124 N -0.67 7.16 0.00 0.00 -1.08 -1.26 -4.12 116.67 116.69 2gbv s ASP 124 Ca 0.50 1.67 0.04 0.00 -0.52 0.00 0.00 52.55 54.25 2gbv s ASP 124 Cb -0.37 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 38.71 2gbv s ASP 124 CO 0.48 -0.50 1.13 -0.90 0.52 0.00 0.00 175.17 175.90 2gbv n ASP 125 N 5.03 0.37 -2.45 -0.34 5.68 -0.71 -4.86 116.55 119.26 2gbv n ASP 125 Ca 0.10 -1.94 -0.21 0.00 -0.50 0.00 0.00 54.79 52.24 2gbv n ASP 125 Cb 0.48 -0.04 -0.01 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 -0.33 -2.00 -0.16 -2.12 4.77 -1.26 -1.51 117.00 114.38 2gbv n LEU 126 Ca 0.04 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2gbv n LEU 126 Cb 0.07 -2.94 -0.01 0.00 -2.33 0.00 0.00 43.42 38.20 2gbv n LEU 126 CO 0.03 -0.18 -0.02 0.61 -1.33 0.00 0.00 177.39 176.50 2gbv n GLY 127 N -1.06 0.44 0.64 -0.72 0.00 -1.26 -3.25 105.19 99.98 2gbv n GLY 127 Ca -0.24 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.37 2.63 -0.04 1.61 5.02 -0.57 -4.54 118.16 120.89 2gbv n LYS 128 Ca -0.02 -2.56 -0.15 0.00 -2.02 0.00 0.00 58.31 53.56 2gbv n LYS 128 Cb 0.26 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2gbv n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbv h GLY 129 N 1.40 0.87 -0.50 0.72 0.00 -1.90 -3.49 103.07 100.18 2gbv h GLY 129 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.23 2gbv h GLY 129 CO 0.13 0.99 0.00 0.61 0.00 0.00 0.00 176.54 178.26 2gbv n GLY 130 N 0.48 0.49 3.50 4.60 0.00 -1.26 -5.08 105.19 107.92 2gbv n GLY 130 Ca -0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2gbv n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gbv n ASN 131 N -0.24 -1.96 -0.06 1.61 0.23 -1.26 -5.03 115.26 108.55 2gbv n ASN 131 Ca 0.00 -2.61 0.00 0.00 -0.53 0.00 0.00 54.58 51.45 2gbv n ASN 131 Cb 0.12 3.34 0.30 0.00 -2.08 0.00 0.00 39.78 41.47 2gbv n ASN 131 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2gbv h GLU 132 N 0.00 0.66 0.00 -3.83 5.08 -2.00 -2.03 114.58 112.46 2gbv h GLU 132 Ca -0.31 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 57.80 2gbv h GLU 132 Cb 1.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2gbv h GLU 132 CO 0.39 0.56 -0.74 1.49 -1.00 0.00 0.00 179.01 179.71 2gbv h GLU 133 N 0.66 0.00 -0.00 2.33 4.57 -2.00 -3.13 114.58 117.00 2gbv h GLU 133 Ca 0.16 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 2gbv h GLU 133 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2gbv h GLU 133 CO -0.01 0.74 -0.20 1.03 -1.18 0.00 0.00 179.01 179.38 2gbv h SER 134 N 0.00 0.01 0.44 1.04 0.87 -1.73 0.20 113.55 114.38 2gbv h SER 134 Ca -0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2gbv h SER 134 Cb 1.38 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2gbv h SER 134 CO 0.10 0.21 0.00 0.35 -0.53 0.00 0.00 176.83 176.96 2gbv n THR 135 N -4.29 0.12 0.00 2.23 -2.24 -1.11 -2.96 114.28 106.03 2gbv n THR 135 Ca -0.02 0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2gbv n THR 135 Cb 0.26 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.25 0.17 -0.00 -0.78 5.02 -0.74 -2.56 118.16 118.01 2gbv n LYS 136 Ca 0.14 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.54 2gbv n LYS 136 Cb 0.20 -0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 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 -3.76 0.00 -1.38 -0.18 -2.24 -0.02 -4.67 114.28 102.03 2gbv n THR 137 Ca -0.05 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2gbv n THR 137 Cb 0.20 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.67 0.90 3.98 3.38 0.00 -1.15 -3.70 105.19 110.26 2gbv n GLY 138 Ca -0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 0.58 -4.10 -0.01 1.61 3.02 -1.26 -1.74 115.26 113.36 2gbv n ASN 139 Ca -0.09 -0.85 0.13 0.00 -0.03 0.00 0.00 54.58 53.75 2gbv n ASN 139 Cb 0.32 -3.60 0.50 0.00 -0.61 0.00 0.00 39.78 36.40 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 -4.59 2.79 -0.12 5.41 0.00 -1.24 -4.65 120.51 118.11 2gbv n ALA 140 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2gbv n ALA 140 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.47 -0.61 3.73 0.00 0.00 -1.26 0.17 105.19 108.68 2gbv n GLY 141 Ca 0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.90 -0.36 1.61 1.04 -1.26 -4.57 113.70 110.06 2gbv s SER 142 Ca 0.00 1.80 -0.20 0.00 0.48 0.00 0.00 55.95 58.03 2gbv s SER 142 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2gbv s SER 142 CO 0.00 -2.41 0.62 -0.13 0.98 0.00 0.00 173.24 172.29 2gbv s ARG 143 N -4.86 3.63 -0.05 4.02 0.52 -1.26 -0.20 118.95 120.75 2gbv s ARG 143 Ca 0.63 -0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.70 2gbv s ARG 143 Cb -0.18 -3.82 -0.31 0.00 0.52 0.00 0.00 34.95 31.15 2gbv s ARG 143 CO 0.57 -0.75 0.68 -0.07 0.02 0.00 0.00 175.30 175.75 2gbv h LEU 144 N 9.36 0.62 -7.37 2.53 3.38 -1.36 -3.48 115.31 118.99 2gbv h LEU 144 Ca -0.26 -0.93 -0.07 0.00 0.09 0.00 0.00 57.88 56.70 2gbv h LEU 144 Cb 1.11 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.50 2gbv h LEU 144 CO 0.83 1.77 -0.10 0.00 0.09 0.00 0.00 178.44 181.04 2gbv s ALA 145 N -2.57 -1.01 0.14 1.53 0.00 -1.16 -4.25 121.76 114.44 2gbv s ALA 145 Ca -0.16 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 2gbv s ALA 145 Cb 0.05 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.61 2gbv s ALA 145 CO 0.85 -0.48 0.47 0.00 0.00 0.00 0.00 175.76 176.61 2gbv s ALA 146 N -2.64 -1.17 -0.12 0.00 0.00 0.08 -1.54 121.76 116.37 2gbv s ALA 146 Ca -0.04 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.80 2gbv s ALA 146 Cb -0.00 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.94 2gbv s ALA 146 CO -0.04 -0.69 0.64 0.20 0.00 0.00 0.00 175.76 175.87 2gbv s GLY 147 N -2.79 -0.51 0.25 0.00 0.00 -0.75 -1.07 107.32 102.46 2gbv s GLY 147 Ca 0.02 1.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.87 2gbv s GLY 147 CO -0.12 1.11 1.09 0.14 0.00 0.00 0.00 173.10 175.32 2gbv s VAL 148 N -0.65 3.61 -0.55 1.40 1.01 -1.26 -1.23 120.40 122.74 2gbv s VAL 148 Ca -0.07 1.56 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 2gbv s VAL 148 Cb -0.02 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2gbv s VAL 148 CO 0.06 0.35 1.08 -0.63 0.00 0.00 0.00 175.10 175.96 2gbv s ILE 149 N -0.93 4.20 0.24 2.22 1.01 0.85 -4.39 121.20 124.40 2gbv s ILE 149 Ca 0.45 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.87 2gbv s ILE 149 Cb -0.31 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.49 2gbv s ILE 149 CO 0.39 -1.20 0.16 -0.83 0.00 0.00 0.00 174.94 173.46 2gbv s GLY 150 N 2.83 1.49 0.13 6.18 0.00 0.29 0.31 107.32 118.55 2gbv s GLY 150 Ca 0.38 -1.42 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 2gbv s GLY 150 CO 0.24 -1.46 1.38 -0.42 0.00 0.00 0.00 173.10 172.84 2gbv s ILE 151 N -2.09 3.26 0.20 0.90 1.01 -1.26 -0.85 121.20 122.36 2gbv s ILE 151 Ca 0.32 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.97 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 0.24 0.08 0.01 0.00 0.00 0.00 0.00 174.94 175.27 2gbv s ALA 152 N 0.94 3.21 -2.00 9.38 0.00 -0.25 -4.82 121.76 128.22 2gbv s ALA 152 Ca 0.63 -1.44 0.13 0.00 0.00 0.00 0.00 51.96 51.28 2gbv s ALA 152 Cb -0.37 -0.95 0.78 0.00 0.00 0.00 0.00 23.12 22.58 2gbv s ALA 152 CO 0.32 0.41 1.21 0.94 0.00 0.00 0.00 175.76 178.64