#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 4.44 0.07 0.00 2.01 -0.85 -4.92 115.64 116.37 2gbv s THR 2 Ca 0.00 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.48 2gbv s THR 2 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2gbv s THR 2 CO 0.00 0.02 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.30 2gbv s LYS 3 N -2.41 0.72 0.21 4.92 1.02 -1.26 -1.15 119.74 121.79 2gbv s LYS 3 Ca 0.51 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 2gbv s LYS 3 Cb -0.15 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.59 2gbv s LYS 3 CO 0.20 0.10 0.25 0.00 -0.92 0.00 0.00 175.35 174.98 2gbv s ALA 4 N -1.64 0.63 -0.05 5.17 0.00 -0.21 -1.13 121.76 124.52 2gbv s ALA 4 Ca -0.03 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 2gbv s ALA 4 Cb -0.08 1.24 0.04 0.00 0.00 0.00 0.00 23.12 24.32 2gbv s ALA 4 CO 0.01 -0.68 0.42 0.54 0.00 0.00 0.00 175.76 176.05 2gbv s VAL 5 N -4.10 0.03 -0.05 0.00 0.11 -0.19 -0.71 120.40 115.49 2gbv s VAL 5 Ca 0.32 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2gbv s VAL 5 Cb 0.04 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 2gbv s VAL 5 CO 0.10 -0.16 -0.04 0.00 -3.33 0.00 0.00 175.10 171.67 2gbv s ALA 6 N -1.05 0.70 -0.40 1.54 0.00 -0.01 -0.65 121.76 121.89 2gbv s ALA 6 Ca -0.11 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 2gbv s ALA 6 Cb -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2gbv s ALA 6 CO 0.05 -0.08 0.50 0.08 0.00 0.00 0.00 175.76 176.31 2gbv s VAL 7 N 1.06 5.02 -0.21 0.00 1.01 -1.26 -0.93 120.40 125.09 2gbv s VAL 7 Ca -0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 2gbv s VAL 7 Cb -0.14 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2gbv s VAL 7 CO -0.01 -0.37 0.77 -0.76 0.00 0.00 0.00 175.10 174.74 2gbv s LEU 8 N 2.35 4.12 0.08 3.92 1.43 0.82 -3.86 118.68 127.54 2gbv s LEU 8 Ca 0.16 1.01 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 2gbv s LEU 8 Cb -0.16 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2gbv s LEU 8 CO 0.14 -0.41 -0.10 -0.54 0.23 0.00 0.00 176.35 175.67 2gbv s LYS 9 N 2.40 0.79 0.05 1.70 1.02 -0.66 -1.82 119.74 123.21 2gbv s LYS 9 Ca 0.34 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 2gbv s LYS 9 Cb -0.16 -0.53 0.01 0.00 -0.52 0.00 0.00 37.83 36.63 2gbv s LYS 9 CO 0.10 0.09 0.08 0.41 -0.92 0.00 0.00 175.35 175.11 2gbv n GLY 10 N 0.80 2.29 0.03 -3.33 0.00 -1.24 -1.20 105.19 102.53 2gbv n GLY 10 Ca -0.18 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 44.80 2gbv n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gbv n ASP 11 N -1.44 0.25 0.00 1.61 8.00 -1.26 -4.88 116.55 118.83 2gbv n ASP 11 Ca -0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2gbv n ASP 11 Cb 0.07 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2gbv n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbv n GLY 12 N 1.43 5.66 0.00 0.44 0.00 -1.26 -5.03 105.19 106.43 2gbv n GLY 12 Ca 0.09 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.29 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 0.49 -2.69 1.61 -0.04 -1.26 -4.84 135.00 128.26 2gbv n PRO 13 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 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 -2.51 4.76 0.03 0.52 1.01 -1.26 -4.18 120.40 118.76 2gbv s VAL 14 Ca 0.30 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 64.07 2gbv s VAL 14 Cb 0.20 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.33 2gbv s VAL 14 CO 0.45 -0.05 0.51 0.00 0.00 0.00 0.00 175.10 176.02 2gbv s GLN 15 N 2.35 0.99 -0.02 2.72 -2.07 -1.04 -3.65 119.66 118.95 2gbv s GLN 15 Ca 0.46 -0.17 -0.21 0.00 -1.82 0.00 0.00 55.36 53.62 2gbv s GLN 15 Cb -0.17 0.45 0.07 0.00 -1.09 0.00 0.00 33.01 32.27 2gbv s GLN 15 CO 0.14 -0.34 0.97 0.41 -1.32 0.00 0.00 175.29 175.15 2gbv n GLY 16 N 0.58 0.32 2.93 2.60 0.00 -0.76 -0.90 105.19 109.96 2gbv n GLY 16 Ca -0.19 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.05 0.83 -0.12 -0.61 1.01 -0.81 -0.13 121.20 119.33 2gbv s ILE 17 Ca 0.23 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2gbv s ILE 17 Cb -0.01 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2gbv s ILE 17 CO -0.01 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.40 2gbv s ILE 18 N 1.06 1.92 0.04 2.92 -1.09 -0.11 -2.44 121.20 123.50 2gbv s ILE 18 Ca -0.08 -0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 57.43 2gbv s ILE 18 Cb -0.14 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 2gbv s ILE 18 CO -0.01 0.52 0.18 0.20 -1.23 0.00 0.00 174.94 174.61 2gbv s ASN 19 N 0.71 6.24 -0.01 3.58 0.01 0.13 -0.83 114.94 124.76 2gbv s ASN 19 Ca -0.11 0.26 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 2gbv s ASN 19 Cb -0.16 -1.90 -0.01 0.00 0.41 0.00 0.00 41.25 39.58 2gbv s ASN 19 CO 0.01 0.20 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.30 2gbv s PHE 20 N -1.43 1.35 -0.07 2.20 0.40 0.11 -1.41 117.98 119.13 2gbv s PHE 20 Ca 0.32 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.34 2gbv s PHE 20 Cb -0.13 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.56 2gbv s PHE 20 CO 0.24 -0.03 0.17 -2.00 0.70 0.00 0.00 175.22 174.30 2gbv s GLU 21 N -0.34 0.15 -0.22 0.44 2.12 -0.28 -1.05 118.70 119.52 2gbv s GLU 21 Ca 0.05 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2gbv s GLU 21 Cb -0.06 -0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.35 2gbv s GLU 21 CO -0.01 -0.10 0.07 -1.14 -0.54 0.00 0.00 175.26 173.54 2gbv s GLN 22 N 0.69 0.51 0.24 4.30 0.74 -0.30 -0.59 119.66 125.26 2gbv s GLN 22 Ca -0.05 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 2gbv s GLN 22 Cb -0.07 -1.92 0.27 0.00 1.10 0.00 0.00 33.01 32.39 2gbv s GLN 22 CO -0.04 -0.76 1.80 0.87 -0.55 0.00 0.00 175.29 176.61 2gbv h LYS 23 N 8.27 1.03 -4.72 1.67 1.79 -1.82 -2.27 116.57 120.52 2gbv h LYS 23 Ca -0.16 -0.20 -0.29 0.00 -2.18 0.00 0.00 60.65 57.82 2gbv h LYS 23 Cb 1.09 -0.16 -0.20 0.00 -1.58 0.00 0.00 32.23 31.38 2gbv h LYS 23 CO 0.37 0.87 -0.73 -1.83 -1.08 0.00 0.00 179.45 177.05 2gbv s GLU 24 N -5.39 0.64 0.62 3.15 1.03 -1.26 -3.71 118.70 113.78 2gbv s GLU 24 Ca -0.11 -0.91 0.38 0.00 0.03 0.00 0.00 54.97 54.36 2gbv s GLU 24 Cb 0.16 -0.37 2.07 0.00 -0.80 0.00 0.00 34.13 35.19 2gbv s GLU 24 CO 0.82 0.06 2.27 0.66 -1.33 0.00 0.00 175.26 177.74 2gbv h SER 25 N 4.14 0.00 -0.25 0.83 4.64 -1.98 -0.66 113.55 120.27 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 0.46 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 177.02 2gbv n ASN 26 N -3.33 2.84 -4.75 4.97 3.02 -1.26 -4.91 115.26 111.85 2gbv n ASN 26 Ca -0.02 -1.83 -0.24 0.00 -0.03 0.00 0.00 54.58 52.45 2gbv n ASN 26 Cb 0.12 -0.16 0.09 0.00 -0.61 0.00 0.00 39.78 39.22 2gbv n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2gbv s GLY 27 N -1.21 1.76 0.76 7.41 0.00 -0.26 -5.06 107.32 110.72 2gbv s GLY 27 Ca 0.26 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.50 2gbv s GLY 27 CO 0.22 -0.87 1.15 2.56 0.00 0.00 0.00 173.10 176.16 2gbv s PRO 28 N -5.18 2.10 -0.23 2.90 0.04 -1.26 -4.88 135.00 128.50 2gbv s PRO 28 Ca 0.63 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 2gbv s PRO 28 Cb -0.08 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2gbv s PRO 28 CO 0.44 -1.81 0.11 0.08 0.04 0.00 0.00 177.00 175.86 2gbv s VAL 29 N -2.40 4.91 -0.07 -0.36 1.01 0.88 -4.43 120.40 119.94 2gbv s VAL 29 Ca 0.68 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 62.47 2gbv s VAL 29 Cb -0.23 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2gbv s VAL 29 CO 0.49 0.37 0.62 -0.54 0.00 0.00 0.00 175.10 176.04 2gbv s LYS 30 N 1.08 4.39 -0.13 2.72 1.02 0.25 -1.26 119.74 127.81 2gbv s LYS 30 Ca 0.06 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.80 2gbv s LYS 30 Cb -0.14 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.76 2gbv s LYS 30 CO 0.04 0.15 -0.17 0.08 -0.92 0.00 0.00 175.35 174.53 2gbv s VAL 31 N 0.55 1.67 0.10 3.17 1.01 0.61 -1.12 120.40 126.38 2gbv s VAL 31 Ca 0.33 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 2gbv s VAL 31 Cb -0.17 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2gbv s VAL 31 CO 0.16 0.47 0.50 -1.66 0.00 0.00 0.00 175.10 174.57 2gbv s TRP 32 N 1.08 -0.38 -5.00 5.22 -2.14 -0.50 -0.15 118.94 117.07 2gbv s TRP 32 Ca -0.03 0.25 0.00 0.00 2.66 0.00 0.00 56.10 58.97 2gbv s TRP 32 Cb -0.14 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 2gbv s TRP 32 CO -0.04 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 2gbv n GLY 33 N 0.01 -0.11 2.93 3.67 0.00 -0.90 0.18 105.19 110.97 2gbv n GLY 33 Ca -0.17 -1.34 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 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 0.50 -0.06 1.61 0.15 -1.02 -0.04 113.70 110.84 2gbv s SER 34 Ca 0.00 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.61 2gbv s SER 34 Cb 0.00 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2gbv s SER 34 CO 0.00 0.03 -0.15 -0.63 1.20 0.00 0.00 173.24 173.69 2gbv s ILE 35 N 0.06 1.31 0.41 6.45 1.01 -0.25 -1.92 121.20 128.28 2gbv s ILE 35 Ca -0.00 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2gbv s ILE 35 Cb -0.04 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2gbv s ILE 35 CO -0.00 0.39 0.20 -1.59 0.00 0.00 0.00 174.94 173.94 2gbv s LYS 36 N 0.47 2.26 0.00 2.79 -2.85 -0.08 0.21 119.74 122.54 2gbv s LYS 36 Ca -0.13 -1.80 0.00 0.00 -1.00 0.00 0.00 55.97 53.04 2gbv s LYS 36 Cb -0.15 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.59 2gbv s LYS 36 CO 0.04 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.78 2gbv n GLY 37 N -1.27 0.58 3.88 0.59 0.00 -0.81 -2.50 105.19 105.67 2gbv n GLY 37 Ca -0.01 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 4.37 0.52 0.99 1.43 -0.51 -4.32 118.68 121.16 2gbv s LEU 38 Ca 0.00 0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 2gbv s LEU 38 Cb 0.00 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 2gbv s LEU 38 CO 0.00 0.24 1.25 0.42 0.23 0.00 0.00 176.35 178.49 2gbv s THR 39 N -1.31 2.61 0.28 5.49 -4.23 -1.26 -4.08 115.64 113.13 2gbv s THR 39 Ca 0.28 0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 60.94 2gbv s THR 39 Cb -0.13 -3.21 -0.13 0.00 1.34 0.00 0.00 72.50 70.36 2gbv s THR 39 CO 0.16 -0.02 1.34 1.21 -0.54 0.00 0.00 174.62 176.77 2gbv n GLU 40 N -0.93 2.01 0.00 3.99 2.13 -1.26 -4.60 120.64 121.98 2gbv n GLU 40 Ca 0.10 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2gbv n GLU 40 Cb 0.47 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 1.63 -0.69 3.76 8.31 0.00 -0.31 -4.91 105.19 112.98 2gbv n GLY 41 Ca 0.09 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.04 0.99 1.43 -1.26 -1.09 118.68 123.24 2gbv s LEU 42 Ca 0.00 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2gbv s LEU 42 Cb 0.00 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.53 2gbv s LEU 42 CO 0.00 -0.07 -0.01 -1.00 0.23 0.00 0.00 176.35 175.50 2gbv s HIS 43 N -1.26 0.46 0.40 0.29 3.76 0.17 -3.21 115.29 115.90 2gbv s HIS 43 Ca 0.45 -0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 55.03 2gbv s HIS 43 Cb -0.28 -0.51 -0.10 0.00 1.11 0.00 0.00 32.58 32.80 2gbv s HIS 43 CO 0.35 -0.16 1.33 0.41 -0.85 0.00 0.00 174.74 175.82 2gbv n GLY 44 N 4.17 0.70 2.62 -2.22 0.00 -0.10 -1.00 105.19 109.37 2gbv n GLY 44 Ca -0.25 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.16 0.09 0.05 1.61 5.36 -0.20 -0.62 117.98 123.11 2gbv s PHE 45 Ca 0.58 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2gbv s PHE 45 Cb -0.51 -0.70 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 2gbv s PHE 45 CO 0.60 -0.71 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.58 2gbv s HIS 46 N 2.18 0.57 -0.25 10.12 3.76 -0.67 -2.79 115.29 128.21 2gbv s HIS 46 Ca 0.07 -0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 54.08 2gbv s HIS 46 Cb -0.16 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 2gbv s HIS 46 CO -0.24 -0.19 0.55 0.08 -0.85 0.00 0.00 174.74 174.09 2gbv s VAL 47 N -2.37 5.05 0.31 -0.90 1.01 -0.19 -0.59 120.40 122.71 2gbv s VAL 47 Ca -0.04 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2gbv s VAL 47 Cb -0.03 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2gbv s VAL 47 CO -0.03 0.08 0.49 -1.00 0.00 0.00 0.00 175.10 174.64 2gbv s HIS 48 N 2.27 3.49 0.15 5.22 3.76 0.17 -0.57 115.29 129.79 2gbv s HIS 48 Ca 0.23 0.29 -0.16 0.00 -0.15 0.00 0.00 55.06 55.26 2gbv s HIS 48 Cb -0.16 -1.83 0.01 0.00 1.11 0.00 0.00 32.58 31.72 2gbv s HIS 48 CO 0.09 0.22 1.81 1.49 -0.85 0.00 0.00 174.74 177.49 2gbv h GLU 49 N 1.01 0.54 -5.88 1.40 4.81 -0.39 -2.69 114.58 113.38 2gbv h GLU 49 Ca -0.50 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.02 2gbv h GLU 49 Cb 1.22 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 30.33 2gbv h GLU 49 CO 0.62 0.37 -0.61 -0.06 -0.73 0.00 0.00 179.01 178.60 2gbv s PHE 50 N -6.12 3.18 -0.37 0.92 0.08 0.38 -4.67 117.98 111.39 2gbv s PHE 50 Ca -0.13 0.18 -0.04 0.00 0.12 0.00 0.00 56.93 57.06 2gbv s PHE 50 Cb 0.11 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2gbv s PHE 50 CO 0.73 0.44 2.81 0.41 -0.10 0.00 0.00 175.22 179.50 2gbv n GLY 51 N 2.29 4.11 3.17 4.36 0.00 -1.06 -3.48 105.19 114.58 2gbv n GLY 51 Ca -0.19 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 0.59 5.02 -0.23 1.61 -1.08 -1.26 -4.94 116.67 116.38 2gbv s ASP 52 Ca 0.57 -1.43 0.14 0.00 -0.52 0.00 0.00 52.55 51.31 2gbv s ASP 52 Cb 0.36 -1.75 0.81 0.00 -1.46 0.00 0.00 42.92 40.87 2gbv s ASP 52 CO -0.16 -0.33 1.74 -3.20 0.52 0.00 0.00 175.17 173.73 2gbv n ASN 53 N 4.63 5.65 0.22 -0.34 4.05 -1.26 -3.41 115.26 124.81 2gbv n ASN 53 Ca -0.10 -2.93 0.08 0.00 0.45 0.00 0.00 54.58 52.08 2gbv n ASN 53 Cb 0.43 -0.68 0.51 0.00 1.23 0.00 0.00 39.78 41.27 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 3.90 0.78 -1.42 -0.44 1.35 -1.92 -2.72 112.91 112.43 2gbv h THR 54 Ca 0.00 -1.04 -0.54 0.00 -0.55 0.00 0.00 66.41 64.28 2gbv h THR 54 Cb 1.95 1.64 -0.42 0.00 -1.73 0.00 0.00 68.15 69.60 2gbv h THR 54 CO 0.48 0.25 -0.83 0.00 -0.25 0.00 0.00 175.52 175.16 2gbv n ALA 55 N -2.31 4.68 -0.98 6.62 0.00 -1.26 -5.04 120.51 122.22 2gbv n ALA 55 Ca -0.01 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.36 2gbv n ALA 55 Cb 0.38 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.38 2.22 0.26 0.00 0.00 -1.03 -1.85 105.19 104.41 2gbv n GLY 56 Ca 0.32 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 1.19 -0.80 4.61 0.00 -1.88 -3.29 119.26 118.10 2gbv h ALA 57 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2gbv h ALA 57 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2gbv h ALA 57 CO 0.00 0.14 0.53 1.15 0.00 0.00 0.00 179.25 181.07 2gbv h THR 58 N 0.00 1.17 -0.03 0.00 2.02 -1.70 -1.90 112.91 112.48 2gbv h THR 58 Ca -0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2gbv h THR 58 Cb 0.40 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2gbv h THR 58 CO 0.02 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 2gbv n SER 59 N -4.43 0.25 0.00 4.18 3.41 -1.22 -3.74 113.62 112.07 2gbv n SER 59 Ca 0.10 -1.52 0.12 0.00 -0.26 0.00 0.00 58.87 57.30 2gbv n SER 59 Cb 0.06 -0.02 0.58 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.59 2.19 -0.35 7.33 0.00 -0.71 -4.45 120.51 123.92 2gbv n ALA 60 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2gbv n ALA 60 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 0.86 -1.08 2.17 0.00 0.00 -1.25 -0.47 105.19 105.44 2gbv n GLY 61 Ca 0.09 -1.20 -0.17 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 -0.28 -0.85 -1.78 1.61 -0.04 -1.26 -4.56 135.00 127.83 2gbv n PRO 62 Ca 0.00 -1.15 -0.41 0.00 -0.04 0.00 0.00 63.50 61.89 2gbv n PRO 62 Cb 0.00 -0.79 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 2gbv n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gbv s HIS 63 N -2.61 2.68 0.02 0.54 3.76 -1.26 -0.36 115.29 118.05 2gbv s HIS 63 Ca 0.43 0.93 -0.30 0.00 -0.15 0.00 0.00 55.06 55.97 2gbv s HIS 63 Cb -0.01 -4.06 -0.09 0.00 1.11 0.00 0.00 32.58 29.53 2gbv s HIS 63 CO 0.30 -3.37 1.99 0.34 -0.85 0.00 0.00 174.74 173.15 2gbv n PHE 64 N 1.48 2.47 -3.12 1.40 7.35 0.27 -4.50 117.46 122.81 2gbv n PHE 64 Ca 0.05 -0.35 -0.17 0.00 -0.76 0.00 0.00 57.45 56.22 2gbv n PHE 64 Cb 0.38 -2.80 -0.02 0.00 0.35 0.00 0.00 39.48 37.40 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 7.81 0.22 0.28 -2.13 5.15 -1.26 -1.30 115.26 124.02 2gbv n ASN 65 Ca 0.21 -3.08 0.18 0.00 -0.60 0.00 0.00 54.58 51.29 2gbv n ASN 65 Cb 0.41 -0.21 0.78 0.00 -0.53 0.00 0.00 39.78 40.23 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 3.13 0.00 -0.17 1.20 0.13 -1.96 -2.18 132.00 132.16 2gbv h PRO 66 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2gbv h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbv h PRO 66 CO 0.44 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.49 2gbv n LEU 67 N -3.01 2.08 -3.81 1.56 4.77 -1.26 -4.97 117.00 112.36 2gbv n LEU 67 Ca -0.00 -0.83 -0.31 0.00 -0.03 0.00 0.00 56.01 54.84 2gbv n LEU 67 Cb 0.25 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2gbv n LEU 67 CO 0.25 0.42 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.39 2gbv n SER 68 N 0.60 -3.49 -4.85 -1.43 7.64 -0.82 -5.00 113.62 106.27 2gbv n SER 68 Ca 0.17 -1.04 -0.26 0.00 1.01 0.00 0.00 58.87 58.75 2gbv n SER 68 Cb 0.41 -3.10 -0.03 0.00 -1.01 0.00 0.00 64.21 60.48 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 -6.32 2.27 0.49 1.43 0.52 -1.26 -5.14 118.95 110.94 2gbv s ARG 69 Ca 0.32 -2.00 -0.06 0.00 -0.52 0.00 0.00 55.73 53.47 2gbv s ARG 69 Cb -0.12 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2gbv s ARG 69 CO 0.88 -0.46 0.81 0.15 0.02 0.00 0.00 175.30 176.70 2gbv s LYS 70 N -4.15 3.57 0.40 3.54 -0.14 -1.26 -4.71 119.74 116.98 2gbv s LYS 70 Ca 0.33 0.28 -0.26 0.00 -1.36 0.00 0.00 55.97 54.95 2gbv s LYS 70 Cb -0.01 -2.35 -0.09 0.00 -1.68 0.00 0.00 37.83 33.71 2gbv s LYS 70 CO 0.20 -0.23 1.34 -1.58 -0.76 0.00 0.00 175.35 174.31 2gbv s HIS 71 N -2.76 2.77 0.16 3.18 5.65 0.10 -3.12 115.29 121.26 2gbv s HIS 71 Ca 0.48 1.37 -0.02 0.00 0.25 0.00 0.00 55.06 57.14 2gbv s HIS 71 Cb -0.10 -3.74 0.01 0.00 -1.18 0.00 0.00 32.58 27.56 2gbv s HIS 71 CO 0.45 -2.28 0.25 0.41 -0.65 0.00 0.00 174.74 172.92 2gbv n GLY 72 N 0.65 2.39 3.91 1.59 0.00 -1.25 -4.36 105.19 108.12 2gbv n GLY 72 Ca 0.03 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.93 1.53 0.56 -0.02 0.00 -1.17 -4.61 107.32 101.67 2gbv s GLY 73 Ca 0.11 -0.59 0.24 0.00 0.00 0.00 0.00 44.72 44.48 2gbv s GLY 73 CO 0.08 -0.39 2.20 -0.56 0.00 0.00 0.00 173.10 174.43 2gbv h PRO 74 N 0.13 0.00 0.00 2.90 0.13 -1.86 -1.29 132.00 132.01 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 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 -6.93 0.86 1.57 -1.94 -3.46 116.57 106.67 2gbv h LYS 75 Ca 0.01 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.32 2gbv h LYS 75 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 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 -4.67 7.05 0.11 0.86 1.01 -0.49 -4.96 116.67 115.58 2gbv s ASP 76 Ca 0.09 1.92 -0.14 0.00 0.71 0.00 0.00 52.55 55.12 2gbv s ASP 76 Cb 0.11 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 2gbv s ASP 76 CO 0.57 -0.28 1.45 -0.08 0.21 0.00 0.00 175.17 177.04 2gbv h GLU 77 N 2.77 0.73 -6.08 8.23 4.57 -1.89 -3.38 114.58 119.53 2gbv h GLU 77 Ca -0.48 -0.36 -0.57 0.00 -1.18 0.00 0.00 59.36 56.77 2gbv h GLU 77 Cb 1.20 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.69 2gbv h GLU 77 CO 0.63 0.97 0.98 -2.00 -1.18 0.00 0.00 179.01 178.42 2gbv s GLU 78 N -4.46 3.23 0.16 1.92 2.56 -1.26 -4.93 118.70 115.91 2gbv s GLU 78 Ca -0.12 -0.52 -0.22 0.00 0.00 0.00 0.00 54.97 54.11 2gbv s GLU 78 Cb 0.09 -4.34 0.06 0.00 2.00 0.00 0.00 34.13 31.94 2gbv s GLU 78 CO 0.83 -2.07 0.58 -0.98 -0.56 0.00 0.00 175.26 173.06 2gbv s ARG 79 N 5.18 1.27 0.42 4.30 1.70 -1.18 -3.86 118.95 126.77 2gbv s ARG 79 Ca 0.33 -0.53 -0.23 0.00 -0.47 0.00 0.00 55.73 54.84 2gbv s ARG 79 Cb -0.09 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 2gbv s ARG 79 CO 0.10 -0.55 1.02 -1.01 -1.08 0.00 0.00 175.30 173.79 2gbv s HIS 80 N -3.77 3.22 0.30 5.89 3.76 -1.21 -4.68 115.29 118.81 2gbv s HIS 80 Ca 0.02 1.63 0.04 0.00 -0.15 0.00 0.00 55.06 56.60 2gbv s HIS 80 Cb -0.01 -3.05 0.69 0.00 1.11 0.00 0.00 32.58 31.32 2gbv s HIS 80 CO -0.12 -0.55 1.78 0.28 -0.85 0.00 0.00 174.74 175.28 2gbv h VAL 81 N 1.99 0.73 0.00 -0.90 2.07 -1.87 -1.40 116.25 116.88 2gbv h VAL 81 Ca -0.49 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2gbv h VAL 81 Cb 1.21 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2gbv h VAL 81 CO 0.61 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2gbv n GLY 82 N -1.33 -0.79 3.54 2.17 0.00 -0.42 -4.35 105.19 104.01 2gbv n GLY 82 Ca 0.22 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.73 6.44 0.00 1.61 1.01 -0.53 -1.02 116.67 122.45 2gbv s ASP 83 Ca 0.25 -1.34 0.24 0.00 0.71 0.00 0.00 52.55 52.41 2gbv s ASP 83 Cb 0.11 -2.54 0.53 0.00 1.01 0.00 0.00 42.92 42.03 2gbv s ASP 83 CO 0.19 -1.50 1.45 0.18 0.21 0.00 0.00 175.17 175.70 2gbv n LEU 84 N 8.60 2.64 0.00 1.23 4.77 -1.12 -3.63 117.00 129.48 2gbv n LEU 84 Ca 0.25 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2gbv n LEU 84 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2gbv n LEU 84 CO 0.65 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 2gbv n GLY 85 N 1.33 0.55 3.45 -0.72 0.00 -1.20 -4.78 105.19 103.82 2gbv n GLY 85 Ca 0.17 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 3.56 0.20 1.61 0.01 -1.26 -1.03 114.94 114.03 2gbv s ASN 86 Ca 0.00 -0.89 0.08 0.00 -0.71 0.00 0.00 52.86 51.35 2gbv s ASN 86 Cb 0.00 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2gbv s ASN 86 CO 0.00 0.10 0.00 0.68 -1.51 0.00 0.00 177.10 176.37 2gbv s VAL 87 N -1.91 3.65 -0.16 1.60 -7.23 -0.17 -4.90 120.40 111.27 2gbv s VAL 87 Ca 0.24 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2gbv s VAL 87 Cb -0.07 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 2gbv s VAL 87 CO 0.12 -0.20 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.69 2gbv s THR 88 N -1.91 2.79 -0.06 5.32 2.01 -1.26 -0.66 115.64 121.87 2gbv s THR 88 Ca 0.29 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 2gbv s THR 88 Cb -0.08 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 2gbv s THR 88 CO 0.19 0.50 0.34 0.00 -0.69 0.00 0.00 174.62 174.96 2gbv s ALA 89 N 0.88 3.70 1.01 7.40 0.00 -0.25 -4.19 121.76 130.31 2gbv s ALA 89 Ca -0.04 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 2gbv s ALA 89 Cb -0.15 -2.33 0.13 0.00 0.00 0.00 0.00 23.12 20.78 2gbv s ALA 89 CO -0.01 0.39 0.74 -0.40 0.00 0.00 0.00 175.76 176.49 2gbv n ASP 90 N 2.34 -0.12 0.18 0.00 5.68 -0.22 -1.16 116.55 123.24 2gbv n ASP 90 Ca -0.14 -1.23 0.14 0.00 -0.50 0.00 0.00 54.79 53.05 2gbv n ASP 90 Cb 0.53 -0.58 0.56 0.00 -1.14 0.00 0.00 41.12 40.49 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 -0.01 0.11 2.10 -1.96 -0.63 116.57 116.18 2gbv h LYS 91 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2gbv h LYS 91 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2gbv h LYS 91 CO 0.17 0.00 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.31 2gbv n ASP 92 N -2.49 1.45 0.00 7.07 8.00 -1.26 -4.94 116.55 124.39 2gbv n ASP 92 Ca 0.02 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.13 2gbv n ASP 92 Cb 0.24 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.22 0.63 3.64 0.44 0.00 -0.24 -4.72 105.19 106.16 2gbv n GLY 93 Ca 0.17 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 5.17 -0.41 1.61 1.01 -1.26 -1.42 120.40 123.10 2gbv s VAL 94 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 2gbv s VAL 94 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2gbv s VAL 94 CO 0.00 0.36 0.30 0.00 0.00 0.00 0.00 175.10 175.77 2gbv s ALA 95 N 1.00 3.48 -0.79 5.51 0.00 0.13 -1.06 121.76 130.03 2gbv s ALA 95 Ca 0.07 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.08 2gbv s ALA 95 Cb -0.13 -2.90 0.09 0.00 0.00 0.00 0.00 23.12 20.17 2gbv s ALA 95 CO 0.04 -1.47 1.09 -0.51 0.00 0.00 0.00 175.76 174.91 2gbv s ASP 96 N 1.71 6.35 0.14 0.00 1.01 -1.26 -1.09 116.67 123.53 2gbv s ASP 96 Ca 0.05 -1.35 -0.30 0.00 0.71 0.00 0.00 52.55 51.66 2gbv s ASP 96 Cb -0.19 -2.44 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 2gbv s ASP 96 CO 0.10 -1.35 1.03 -0.69 0.21 0.00 0.00 175.17 174.47 2gbv s VAL 97 N 3.81 4.21 -0.28 -1.27 1.01 0.94 -4.92 120.40 123.91 2gbv s VAL 97 Ca 0.29 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.13 2gbv s VAL 97 Cb -0.11 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.24 2gbv s VAL 97 CO 0.02 0.30 0.39 -0.55 0.00 0.00 0.00 175.10 175.26 2gbv s SER 98 N -0.04 0.44 0.06 3.32 0.15 -1.25 -2.11 113.70 114.27 2gbv s SER 98 Ca 0.48 -0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.95 2gbv s SER 98 Cb -0.26 1.07 -0.03 0.00 -1.71 0.00 0.00 66.02 65.09 2gbv s SER 98 CO 0.32 -0.34 -0.17 -0.63 1.20 0.00 0.00 173.24 173.62 2gbv s ILE 99 N 2.53 1.34 -0.08 6.45 1.01 0.79 -5.00 121.20 128.24 2gbv s ILE 99 Ca 0.11 -1.25 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2gbv s ILE 99 Cb -0.13 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2gbv s ILE 99 CO -0.27 -0.05 -0.10 -0.70 0.00 0.00 0.00 174.94 173.83 2gbv s GLU 100 N -1.50 1.58 -0.00 2.79 2.12 -1.26 -0.28 118.70 122.15 2gbv s GLU 100 Ca 0.03 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.05 2gbv s GLU 100 Cb -0.09 -1.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.85 2gbv s GLU 100 CO 0.02 -0.09 -0.10 0.34 -0.54 0.00 0.00 175.26 174.89 2gbv s ASP 101 N 1.08 1.14 0.00 -1.70 2.15 -0.39 -4.96 116.67 113.99 2gbv s ASP 101 Ca -0.07 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 52.87 2gbv s ASP 101 Cb -0.14 -0.11 0.18 0.00 -0.30 0.00 0.00 42.92 42.55 2gbv s ASP 101 CO -0.01 0.09 1.09 -1.20 -0.17 0.00 0.00 175.17 174.97 2gbv n SER 102 N 2.70 2.57 -0.11 -0.34 7.64 -1.26 -0.09 113.62 124.73 2gbv n SER 102 Ca -0.14 -1.75 -0.23 0.00 1.01 0.00 0.00 58.87 57.76 2gbv n SER 102 Cb 0.56 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2gbv n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbv n VAL 103 N 0.98 1.18 -1.53 0.44 0.31 -1.26 -4.92 118.33 113.52 2gbv n VAL 103 Ca 0.11 -0.31 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 2gbv n VAL 103 Cb 0.44 -1.77 0.09 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.39 2.04 0.05 2.52 -4.36 -1.26 -5.01 121.20 112.78 2gbv s ILE 104 Ca -0.30 0.02 -0.02 0.00 -0.26 0.00 0.00 60.65 60.09 2gbv s ILE 104 Cb 0.11 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 2gbv s ILE 104 CO 0.38 -0.01 -0.00 -0.55 0.24 0.00 0.00 174.94 175.00 2gbv s SER 105 N -1.66 0.40 0.00 4.36 0.15 -1.21 -4.61 113.70 111.14 2gbv s SER 105 Ca 0.79 -0.87 0.23 0.00 0.70 0.00 0.00 55.95 56.80 2gbv s SER 105 Cb -0.34 0.20 0.44 0.00 -1.71 0.00 0.00 66.02 64.60 2gbv s SER 105 CO 0.43 -0.56 1.41 0.18 1.20 0.00 0.00 173.24 175.90 2gbv n LEU 106 N 0.35 3.22 -4.11 3.45 4.77 -1.26 -1.36 117.00 122.06 2gbv n LEU 106 Ca -0.16 -1.35 -0.11 0.00 -0.03 0.00 0.00 56.01 54.37 2gbv n LEU 106 Cb 0.60 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2gbv n LEU 106 CO 0.26 0.67 -0.10 -0.94 -1.33 0.00 0.00 177.39 175.96 2gbv s SER 107 N -1.56 0.08 0.27 -1.43 1.04 -1.26 -4.77 113.70 106.07 2gbv s SER 107 Ca 0.37 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2gbv s SER 107 Cb 0.22 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2gbv s SER 107 CO 0.31 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2gbv n GLY 108 N -0.29 -1.43 0.31 7.32 0.00 -1.26 -3.46 105.19 106.38 2gbv n GLY 108 Ca -0.00 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.76 2gbv n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbv h ASP 109 N 0.00 0.65 -0.34 1.61 3.32 -2.00 -2.34 116.42 117.32 2gbv h ASP 109 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2gbv h ASP 109 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2gbv h ASP 109 CO 0.00 0.54 0.00 1.41 -1.72 0.00 0.00 179.24 179.47 2gbv n HIS 110 N -4.39 1.18 -2.11 4.55 8.25 -1.26 -4.94 115.22 116.50 2gbv n HIS 110 Ca 0.04 -0.41 -0.41 0.00 -0.26 0.00 0.00 57.72 56.68 2gbv n HIS 110 Cb 0.11 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.99 3.57 -2.75 -1.41 0.00 -0.88 -3.35 121.76 114.95 2gbv s ALA 111 Ca 0.31 1.23 0.26 0.00 0.00 0.00 0.00 51.96 53.76 2gbv s ALA 111 Cb 0.24 -3.52 0.58 0.00 0.00 0.00 0.00 23.12 20.42 2gbv s ALA 111 CO 0.10 -0.65 1.48 0.44 0.00 0.00 0.00 175.76 177.13 2gbv n ILE 112 N 2.21 0.02 -1.75 0.00 -5.35 -0.46 -4.92 119.36 109.11 2gbv n ILE 112 Ca 0.05 -0.40 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 2gbv n ILE 112 Cb 0.41 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 2gbv n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2gbv s ILE 113 N -1.98 2.05 -0.00 7.28 -1.09 -1.26 -2.03 121.20 124.17 2gbv s ILE 113 Ca 0.33 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 2gbv s ILE 113 Cb 0.20 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 2gbv s ILE 113 CO 0.31 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 2gbv n GLY 114 N 3.23 0.48 2.48 6.18 0.00 0.64 -5.00 105.19 113.20 2gbv n GLY 114 Ca 0.13 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.91 1.00 -4.71 1.61 1.74 -0.86 -2.57 116.66 109.96 2gbv n ARG 115 Ca -0.00 -2.28 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 2gbv n ARG 115 Cb 0.01 0.31 -0.15 0.00 -1.02 0.00 0.00 32.46 31.61 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 -1.85 2.75 -0.08 0.55 2.01 -1.01 -0.18 115.64 117.82 2gbv s THR 116 Ca 0.17 -0.76 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 2gbv s THR 116 Cb -0.01 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2gbv s THR 116 CO 0.11 0.52 0.67 -0.22 -0.69 0.00 0.00 174.62 175.01 2gbv s LEU 117 N 0.58 4.30 -0.04 4.42 2.96 0.07 0.44 118.68 131.42 2gbv s LEU 117 Ca -0.09 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2gbv s LEU 117 Cb -0.16 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.51 2gbv s LEU 117 CO 0.03 -0.11 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.12 2gbv s VAL 118 N 0.85 1.19 -0.12 1.68 1.01 0.24 -1.62 120.40 123.64 2gbv s VAL 118 Ca 0.35 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2gbv s VAL 118 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 2gbv s VAL 118 CO 0.16 0.35 -0.02 0.54 0.00 0.00 0.00 175.10 176.13 2gbv s VAL 119 N 0.18 4.05 0.34 2.92 0.11 -0.67 -1.67 120.40 125.66 2gbv s VAL 119 Ca -0.05 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 2gbv s VAL 119 Cb -0.11 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.98 2gbv s VAL 119 CO 0.02 0.55 0.29 -1.00 -3.33 0.00 0.00 175.10 171.63 2gbv s HIS 120 N -0.28 2.87 0.16 1.54 3.76 0.21 -0.86 115.29 122.69 2gbv s HIS 120 Ca 0.05 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 2gbv s HIS 120 Cb -0.12 -1.82 0.05 0.00 1.11 0.00 0.00 32.58 31.79 2gbv s HIS 120 CO 0.02 0.17 1.72 1.49 -0.85 0.00 0.00 174.74 177.29 2gbv h GLU 121 N 1.25 0.77 -5.40 1.40 4.81 -0.14 -3.38 114.58 113.91 2gbv h GLU 121 Ca -0.44 -0.13 -0.62 0.00 -0.13 0.00 0.00 59.36 58.04 2gbv h GLU 121 Cb 1.25 -0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.37 2gbv h GLU 121 CO 0.59 0.67 -0.57 0.15 -0.73 0.00 0.00 179.01 179.12 2gbv s LYS 122 N -5.61 1.98 0.46 1.92 1.02 0.87 -4.92 119.74 115.47 2gbv s LYS 122 Ca -0.13 -2.18 -0.25 0.00 0.02 0.00 0.00 55.97 53.44 2gbv s LYS 122 Cb 0.12 -1.40 -0.08 0.00 -0.52 0.00 0.00 37.83 35.95 2gbv s LYS 122 CO 0.78 -0.20 1.37 0.00 -0.92 0.00 0.00 175.35 176.37 2gbv s ALA 123 N -2.89 3.14 -0.15 5.17 0.00 -1.20 -0.92 121.76 124.91 2gbv s ALA 123 Ca 0.25 1.35 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 2gbv s ALA 123 Cb 0.07 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2gbv s ALA 123 CO 0.13 -1.11 0.87 0.34 0.00 0.00 0.00 175.76 175.98 2gbv s ASP 124 N -0.71 7.03 0.00 0.00 -1.08 -1.26 -3.71 116.67 116.94 2gbv s ASP 124 Ca 0.62 1.26 0.16 0.00 -0.52 0.00 0.00 52.55 54.08 2gbv s ASP 124 Cb -0.41 -2.48 0.84 0.00 -1.46 0.00 0.00 42.92 39.41 2gbv s ASP 124 CO 0.51 -0.40 1.55 -0.90 0.52 0.00 0.00 175.17 176.46 2gbv n ASP 125 N 5.11 0.41 -2.26 -0.34 3.85 0.65 -4.88 116.55 119.09 2gbv n ASP 125 Ca 0.05 -1.59 -0.20 0.00 -0.71 0.00 0.00 54.79 52.34 2gbv n ASP 125 Cb 0.49 -0.03 -0.01 0.00 -1.35 0.00 0.00 41.12 40.22 2gbv n ASP 125 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2gbv n LEU 126 N -0.47 -1.90 -0.00 -2.12 4.77 -1.26 -1.76 117.00 114.26 2gbv n LEU 126 Ca 0.12 -0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2gbv n LEU 126 Cb 0.12 -2.84 -0.00 0.00 -2.33 0.00 0.00 43.42 38.36 2gbv n LEU 126 CO 0.09 -0.24 -0.00 0.61 -1.33 0.00 0.00 177.39 176.53 2gbv n GLY 127 N -1.00 0.48 1.27 -0.72 0.00 -1.25 -3.04 105.19 100.92 2gbv n GLY 127 Ca -0.24 -0.03 0.08 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 -2.86 3.61 0.09 1.61 5.02 -0.72 -4.57 118.16 120.33 2gbv n LYS 128 Ca -0.00 -2.85 0.12 0.00 -2.02 0.00 0.00 58.31 53.56 2gbv n LYS 128 Cb 0.02 -1.90 0.24 0.00 -0.02 0.00 0.00 35.03 33.37 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 2.86 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 101.27 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 0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.42 2gbv n GLY 130 N 1.30 0.41 3.72 4.60 0.00 -1.26 -4.98 105.19 108.98 2gbv n GLY 130 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.12 4.42 0.26 1.61 4.22 -1.26 -5.03 114.94 117.04 2gbv s ASN 131 Ca 0.00 -1.03 -0.02 0.00 -2.14 0.00 0.00 52.86 49.66 2gbv s ASN 131 Cb 0.00 -0.52 0.45 0.00 1.28 0.00 0.00 41.25 42.46 2gbv s ASN 131 CO 0.00 -0.47 1.82 -0.33 -2.04 0.00 0.00 177.10 176.07 2gbv h GLU 132 N 1.49 0.83 -0.13 3.55 5.08 -2.01 -2.25 114.58 121.13 2gbv h GLU 132 Ca -0.43 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2gbv h GLU 132 Cb 1.25 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2gbv h GLU 132 CO 0.69 0.55 -0.37 1.49 -1.00 0.00 0.00 179.01 180.37 2gbv h GLU 133 N 0.85 0.27 -0.90 2.33 4.57 -1.99 -2.97 114.58 116.73 2gbv h GLU 133 Ca 0.43 -0.12 0.08 0.00 -1.18 0.00 0.00 59.36 58.57 2gbv h GLU 133 Cb 0.41 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.93 2gbv h GLU 133 CO -0.26 0.60 0.58 1.03 -1.18 0.00 0.00 179.01 179.79 2gbv h SER 134 N 0.23 0.86 0.47 1.04 0.87 -1.74 0.26 113.55 115.54 2gbv h SER 134 Ca 0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2gbv h SER 134 Cb 0.76 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2gbv h SER 134 CO 0.06 0.53 0.00 0.35 -0.53 0.00 0.00 176.83 177.24 2gbv n THR 135 N -4.51 0.08 -0.03 2.23 -2.24 -1.12 -2.23 114.28 106.45 2gbv n THR 135 Ca 0.14 0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.86 2gbv n THR 135 Cb 0.25 -0.56 -0.03 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 0.20 0.00 -0.78 5.02 -0.58 -0.72 118.16 120.04 2gbv n LYS 136 Ca 0.14 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2gbv n LYS 136 Cb 0.21 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 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 -3.56 0.00 -1.17 -0.18 -2.24 -0.02 -4.66 114.28 102.45 2gbv n THR 137 Ca -0.15 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 2gbv n THR 137 Cb 0.49 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.49 0.79 2.90 3.38 0.00 -0.95 -3.31 105.19 108.50 2gbv n GLY 138 Ca 0.00 -0.40 -0.22 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 0.19 -5.66 0.03 1.61 3.02 -1.25 -0.25 115.26 112.96 2gbv n ASN 139 Ca -0.06 -0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.41 2gbv n ASN 139 Cb 0.27 -4.62 0.54 0.00 -0.61 0.00 0.00 39.78 35.36 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 -3.17 2.26 -0.38 5.41 0.00 -1.21 -4.68 120.51 118.74 2gbv n ALA 140 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2gbv n ALA 140 Cb 0.62 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.32 -0.02 3.77 0.00 0.00 -1.26 -0.09 105.19 108.91 2gbv n GLY 141 Ca 0.06 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 4.64 -0.40 1.61 1.04 -1.26 -4.52 113.70 110.80 2gbv s SER 142 Ca 0.00 1.84 -0.22 0.00 0.48 0.00 0.00 55.95 58.05 2gbv s SER 142 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.61 2gbv s SER 142 CO 0.00 -1.95 0.70 -0.13 0.98 0.00 0.00 173.24 172.84 2gbv s ARG 143 N -4.79 3.52 -0.04 4.02 0.52 -1.26 0.18 118.95 121.10 2gbv s ARG 143 Ca 0.62 -0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.75 2gbv s ARG 143 Cb -0.17 -3.88 -0.27 0.00 0.52 0.00 0.00 34.95 31.15 2gbv s ARG 143 CO 0.54 -0.93 0.70 -0.07 0.02 0.00 0.00 175.30 175.57 2gbv h LEU 144 N 9.72 0.37 -7.28 2.53 3.38 -1.30 -3.48 115.31 119.25 2gbv h LEU 144 Ca -0.25 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.04 2gbv h LEU 144 Cb 1.10 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.56 2gbv h LEU 144 CO 0.90 1.51 -0.03 0.00 0.09 0.00 0.00 178.44 180.91 2gbv s ALA 145 N -2.60 -1.20 0.09 1.53 0.00 -1.17 -4.24 121.76 114.17 2gbv s ALA 145 Ca -0.12 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.19 2gbv s ALA 145 Cb 0.07 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.52 2gbv s ALA 145 CO 0.83 -0.44 0.47 0.00 0.00 0.00 0.00 175.76 176.62 2gbv s ALA 146 N -2.16 -1.18 -0.26 0.00 0.00 -0.34 -1.68 121.76 116.13 2gbv s ALA 146 Ca -0.07 0.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 2gbv s ALA 146 Cb -0.01 0.54 0.07 0.00 0.00 0.00 0.00 23.12 23.72 2gbv s ALA 146 CO 0.00 -0.58 0.70 0.20 0.00 0.00 0.00 175.76 176.09 2gbv s GLY 147 N -2.35 -0.53 0.18 0.00 0.00 -0.64 -1.66 107.32 102.34 2gbv s GLY 147 Ca -0.02 1.98 -0.30 0.00 0.00 0.00 0.00 44.72 46.38 2gbv s GLY 147 CO -0.07 1.71 1.16 0.14 0.00 0.00 0.00 173.10 176.04 2gbv s VAL 148 N 0.38 3.67 -0.39 1.40 1.01 -1.26 -0.75 120.40 124.46 2gbv s VAL 148 Ca -0.00 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.13 2gbv s VAL 148 Cb -0.05 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2gbv s VAL 148 CO 0.01 0.24 1.01 -0.63 0.00 0.00 0.00 175.10 175.72 2gbv s ILE 149 N -0.14 4.47 0.19 2.22 1.01 0.74 -4.50 121.20 125.19 2gbv s ILE 149 Ca 0.51 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.53 2gbv s ILE 149 Cb -0.31 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 2gbv s ILE 149 CO 0.36 -0.66 0.07 -0.83 0.00 0.00 0.00 174.94 173.89 2gbv s GLY 150 N 1.99 1.68 0.22 6.18 0.00 0.18 -0.26 107.32 117.31 2gbv s GLY 150 Ca 0.42 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 2gbv s GLY 150 CO 0.21 -1.36 1.40 -0.42 0.00 0.00 0.00 173.10 172.94 2gbv s ILE 151 N -1.83 2.87 0.28 0.90 1.01 -1.26 -1.02 121.20 122.16 2gbv s ILE 151 Ca 0.30 0.72 0.10 0.00 0.00 0.00 0.00 60.65 61.77 2gbv s ILE 151 Cb -0.09 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2gbv s ILE 151 CO 0.21 0.11 -0.05 0.00 0.00 0.00 0.00 174.94 175.21 2gbv s ALA 152 N 0.14 3.06 -2.00 9.38 0.00 -0.29 -4.80 121.76 127.26 2gbv s ALA 152 Ca 0.59 -1.77 0.22 0.00 0.00 0.00 0.00 51.96 51.01 2gbv s ALA 152 Cb -0.40 -0.57 1.33 0.00 0.00 0.00 0.00 23.12 23.48 2gbv s ALA 152 CO 0.40 0.23 1.71 0.94 0.00 0.00 0.00 175.76 179.05