#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbu s THR 2 N 0.00 4.33 0.08 0.00 2.01 -0.40 -4.98 115.64 116.68 2gbu s THR 2 Ca 0.00 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.61 2gbu s THR 2 Cb 0.00 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2gbu s THR 2 CO 0.00 0.46 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.73 2gbu s LYS 3 N -1.34 0.78 0.29 4.92 1.02 -1.26 -1.10 119.74 123.05 2gbu s LYS 3 Ca 0.18 -1.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.06 2gbu s LYS 3 Cb -0.12 -0.61 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 2gbu s LYS 3 CO 0.08 0.12 0.53 0.00 -0.92 0.00 0.00 175.35 175.16 2gbu s ALA 4 N -1.74 -0.08 -0.12 5.17 0.00 -0.33 -1.99 121.76 122.68 2gbu s ALA 4 Ca -0.01 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.65 2gbu s ALA 4 Cb -0.07 1.03 0.08 0.00 0.00 0.00 0.00 23.12 24.15 2gbu s ALA 4 CO 0.01 -0.86 0.72 0.54 0.00 0.00 0.00 175.76 176.17 2gbu s VAL 5 N -3.51 0.00 -0.07 0.00 0.11 -0.22 -1.05 120.40 115.66 2gbu s VAL 5 Ca 0.23 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 2gbu s VAL 5 Cb -0.01 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2gbu s VAL 5 CO 0.12 0.00 -0.00 0.00 -3.33 0.00 0.00 175.10 171.89 2gbu s ALA 6 N -0.75 0.73 -0.28 1.54 0.00 -0.34 -0.49 121.76 122.17 2gbu s ALA 6 Ca -0.07 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2gbu s ALA 6 Cb -0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2gbu s ALA 6 CO 0.07 -0.45 0.53 0.08 0.00 0.00 0.00 175.76 175.99 2gbu s VAL 7 N 1.93 5.05 -0.15 0.00 1.01 -1.26 -1.51 120.40 125.46 2gbu s VAL 7 Ca 0.05 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.67 2gbu s VAL 7 Cb -0.12 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2gbu s VAL 7 CO -0.05 0.01 0.36 -0.76 0.00 0.00 0.00 175.10 174.66 2gbu s LEU 8 N 2.36 4.25 0.03 3.92 1.43 0.34 -4.02 118.68 126.99 2gbu s LEU 8 Ca 0.21 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 2gbu s LEU 8 Cb -0.15 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.57 2gbu s LEU 8 CO 0.10 0.05 0.16 -0.54 0.23 0.00 0.00 176.35 176.35 2gbu s LYS 9 N 0.59 0.62 0.00 1.70 1.02 -0.50 -2.11 119.74 121.06 2gbu s LYS 9 Ca 0.20 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.59 2gbu s LYS 9 Cb -0.14 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2gbu s LYS 9 CO 0.06 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2gbu n GLY 10 N 0.88 2.86 0.04 -3.33 0.00 -1.24 -1.32 105.19 103.09 2gbu n GLY 10 Ca -0.20 -1.11 0.14 0.00 0.00 0.00 0.00 46.02 44.85 2gbu n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gbu n ASP 11 N -1.05 0.30 -0.13 1.61 8.00 -1.26 -4.85 116.55 119.17 2gbu n ASP 11 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2gbu n ASP 11 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2gbu n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbu n GLY 12 N 1.42 4.28 0.11 0.44 0.00 -1.26 -5.03 105.19 105.15 2gbu n GLY 12 Ca 0.09 -2.04 0.15 0.00 0.00 0.00 0.00 46.02 44.22 2gbu n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbu n PRO 13 N -0.04 1.00 -2.26 1.61 -0.04 -1.26 -4.87 135.00 129.14 2gbu n PRO 13 Ca 0.00 -0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 62.81 2gbu n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2gbu n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbu s VAL 14 N -2.16 4.00 -0.01 0.52 1.01 -1.26 -4.25 120.40 118.25 2gbu s VAL 14 Ca 0.40 1.20 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 2gbu s VAL 14 Cb 0.21 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2gbu s VAL 14 CO 0.39 -0.13 0.35 0.00 0.00 0.00 0.00 175.10 175.71 2gbu s GLN 15 N 3.78 0.73 0.00 2.72 -2.07 -0.93 -3.59 119.66 120.30 2gbu s GLN 15 Ca 0.62 -0.19 -0.22 0.00 -1.82 0.00 0.00 55.36 53.76 2gbu s GLN 15 Cb -0.26 0.33 0.07 0.00 -1.09 0.00 0.00 33.01 32.06 2gbu s GLN 15 CO 0.21 -0.21 0.98 0.41 -1.32 0.00 0.00 175.29 175.36 2gbu n GLY 16 N 1.13 0.36 2.87 2.60 0.00 -0.90 -0.85 105.19 110.40 2gbu n GLY 16 Ca -0.21 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 2gbu n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbu s ILE 17 N -2.06 0.49 -0.16 -0.61 1.01 -0.87 -0.50 121.20 118.50 2gbu s ILE 17 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2gbu s ILE 17 Cb -0.01 -0.54 0.03 0.00 0.01 0.00 0.00 42.46 41.95 2gbu s ILE 17 CO 0.00 0.23 -0.12 -0.63 0.00 0.00 0.00 174.94 174.42 2gbu s ILE 18 N 1.10 1.50 0.04 2.92 -1.09 -0.57 -2.43 121.20 122.67 2gbu s ILE 18 Ca -0.08 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 2gbu s ILE 18 Cb -0.14 -1.47 -0.05 0.00 -1.58 0.00 0.00 42.46 39.21 2gbu s ILE 18 CO -0.01 0.35 0.35 0.20 -1.23 0.00 0.00 174.94 174.60 2gbu s ASN 19 N 1.50 6.60 -0.04 3.58 -0.87 0.19 -1.19 114.94 124.71 2gbu s ASN 19 Ca 0.03 0.72 0.05 0.00 -1.57 0.00 0.00 52.86 52.09 2gbu s ASN 19 Cb -0.14 -2.15 -0.01 0.00 -0.02 0.00 0.00 41.25 38.93 2gbu s ASN 19 CO -0.10 0.22 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.10 2gbu s PHE 20 N -1.33 1.86 -0.03 2.20 0.40 -0.22 -1.39 117.98 119.48 2gbu s PHE 20 Ca 0.30 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2gbu s PHE 20 Cb -0.14 -1.24 0.03 0.00 0.51 0.00 0.00 43.02 42.18 2gbu s PHE 20 CO 0.17 -0.14 0.07 -2.00 0.70 0.00 0.00 175.22 174.01 2gbu s GLU 21 N -0.12 0.02 -0.25 0.44 2.12 -0.05 -1.18 118.70 119.68 2gbu s GLU 21 Ca -0.01 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.52 2gbu s GLU 21 Cb -0.11 -0.15 0.07 0.00 0.26 0.00 0.00 34.13 34.20 2gbu s GLU 21 CO 0.02 -0.12 0.03 -1.14 -0.54 0.00 0.00 175.26 173.50 2gbu s GLN 22 N 0.81 0.99 0.14 4.30 0.74 -0.26 0.43 119.66 126.81 2gbu s GLN 22 Ca -0.07 -0.85 -0.11 0.00 0.05 0.00 0.00 55.36 54.38 2gbu s GLN 22 Cb -0.09 -2.26 -0.05 0.00 1.10 0.00 0.00 33.01 31.71 2gbu s GLN 22 CO -0.03 -0.75 1.47 0.87 -0.55 0.00 0.00 175.29 176.30 2gbu h LYS 23 N 8.08 0.93 -6.61 1.67 1.79 -1.84 -1.05 116.57 119.55 2gbu h LYS 23 Ca -0.15 -0.50 -0.70 0.00 -2.18 0.00 0.00 60.65 57.12 2gbu h LYS 23 Cb 1.07 0.02 -0.30 0.00 -1.58 0.00 0.00 32.23 31.44 2gbu h LYS 23 CO 0.41 1.15 -0.89 -1.21 -1.08 0.00 0.00 179.45 177.83 2gbu s GLU 24 N -4.38 2.11 0.57 3.15 0.41 -1.26 -4.09 118.70 115.21 2gbu s GLU 24 Ca -0.11 -0.93 0.29 0.00 -0.41 0.00 0.00 54.97 53.80 2gbu s GLU 24 Cb 0.11 -2.05 1.72 0.00 -1.78 0.00 0.00 34.13 32.14 2gbu s GLU 24 CO 0.88 0.56 2.21 0.66 -0.49 0.00 0.00 175.26 179.08 2gbu h SER 25 N 5.45 0.00 -0.40 -0.19 4.64 -1.98 0.97 113.55 122.04 2gbu h SER 25 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2gbu h SER 25 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2gbu h SER 25 CO 0.47 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 176.00 2gbu n ASN 26 N -3.82 4.35 -4.96 4.97 6.94 -1.26 -4.88 115.26 116.60 2gbu n ASN 26 Ca -0.03 -2.79 -0.23 0.00 -0.02 0.00 0.00 54.58 51.51 2gbu n ASN 26 Cb 0.12 -0.55 0.02 0.00 -2.36 0.00 0.00 39.78 37.01 2gbu n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2gbu s GLY 27 N -1.40 2.07 0.68 4.83 0.00 0.34 -5.11 107.32 108.72 2gbu s GLY 27 Ca 0.44 -1.71 -0.13 0.00 0.00 0.00 0.00 44.72 43.33 2gbu s GLY 27 CO 0.14 -1.79 1.07 2.56 0.00 0.00 0.00 173.10 175.08 2gbu s PRO 28 N -4.42 2.86 -0.20 2.90 0.04 -1.26 -4.84 135.00 130.08 2gbu s PRO 28 Ca 0.48 1.14 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2gbu s PRO 28 Cb -0.04 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2gbu s PRO 28 CO 0.30 -1.17 0.11 0.08 0.04 0.00 0.00 177.00 176.35 2gbu s VAL 29 N -2.74 5.17 -0.17 -0.36 1.01 0.90 -4.34 120.40 119.86 2gbu s VAL 29 Ca 0.62 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2gbu s VAL 29 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2gbu s VAL 29 CO 0.48 0.43 0.72 -0.75 0.00 0.00 0.00 175.10 175.98 2gbu s LYS 30 N 0.50 4.27 -0.18 2.72 2.20 0.17 -1.36 119.74 128.05 2gbu s LYS 30 Ca 0.06 0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 56.47 2gbu s LYS 30 Cb -0.12 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2gbu s LYS 30 CO -0.00 -0.25 -0.13 0.08 -0.36 0.00 0.00 175.35 174.69 2gbu s VAL 31 N 1.91 2.78 0.10 4.02 1.01 0.40 -0.87 120.40 129.76 2gbu s VAL 31 Ca 0.33 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 2gbu s VAL 31 Cb -0.16 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.04 2gbu s VAL 31 CO 0.12 0.49 0.40 -1.66 0.00 0.00 0.00 175.10 174.45 2gbu s TRP 32 N 1.10 -0.21 -5.00 5.22 -2.14 -0.48 -0.06 118.94 117.37 2gbu s TRP 32 Ca 0.00 -0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.73 2gbu s TRP 32 Cb -0.14 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 2gbu s TRP 32 CO -0.04 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 174.00 2gbu n GLY 33 N -0.04 -0.27 3.02 3.67 0.00 -0.83 0.57 105.19 111.31 2gbu n GLY 33 Ca -0.17 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2gbu n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbu s SER 34 N -4.00 -0.13 -0.03 1.61 1.04 -1.02 0.16 113.70 111.33 2gbu s SER 34 Ca 0.00 0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.74 2gbu s SER 34 Cb 0.00 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 2gbu s SER 34 CO 0.00 -0.07 -0.20 -0.63 0.98 0.00 0.00 173.24 173.31 2gbu s ILE 35 N -0.03 1.65 0.45 -1.02 1.01 -0.11 -2.05 121.20 121.10 2gbu s ILE 35 Ca -0.01 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2gbu s ILE 35 Cb -0.01 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2gbu s ILE 35 CO 0.00 0.47 0.02 -1.59 0.00 0.00 0.00 174.94 173.84 2gbu s LYS 36 N -0.26 2.04 0.00 2.79 -2.85 -0.03 -0.11 119.74 121.32 2gbu s LYS 36 Ca 0.02 -2.23 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 2gbu s LYS 36 Cb -0.10 -1.46 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 2gbu s LYS 36 CO 0.01 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.64 2gbu n GLY 37 N -1.07 0.48 3.89 0.59 0.00 -1.08 -2.20 105.19 105.80 2gbu n GLY 37 Ca -0.11 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2gbu n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbu s LEU 38 N 0.00 4.02 0.59 0.99 1.43 -0.83 -4.15 118.68 120.73 2gbu s LEU 38 Ca 0.00 0.89 -0.18 0.00 -1.03 0.00 0.00 54.13 53.81 2gbu s LEU 38 Cb 0.00 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2gbu s LEU 38 CO 0.00 -0.22 1.12 0.42 0.23 0.00 0.00 176.35 177.90 2gbu s THR 39 N -2.10 3.21 0.25 5.49 -4.23 -1.26 -4.23 115.64 112.77 2gbu s THR 39 Ca 0.47 0.68 -0.30 0.00 -1.18 0.00 0.00 61.69 61.35 2gbu s THR 39 Cb -0.11 -3.22 -0.11 0.00 1.34 0.00 0.00 72.50 70.41 2gbu s THR 39 CO 0.28 -0.24 1.54 -0.70 -0.54 0.00 0.00 174.62 174.96 2gbu s GLU 40 N -3.61 4.19 0.00 3.99 2.12 -1.26 -4.63 118.70 119.50 2gbu s GLU 40 Ca 0.70 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.47 2gbu s GLU 40 Cb -0.22 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2gbu s GLU 40 CO 0.33 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2gbu n GLY 41 N 2.53 0.49 3.78 -1.50 0.00 -0.90 -4.94 105.19 104.65 2gbu n GLY 41 Ca 0.09 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 2gbu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbu s LEU 42 N 0.00 4.52 -0.05 0.99 1.43 -1.26 -1.05 118.68 123.26 2gbu s LEU 42 Ca 0.00 1.64 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2gbu s LEU 42 Cb 0.00 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.79 2gbu s LEU 42 CO 0.00 0.14 0.00 -1.00 0.23 0.00 0.00 176.35 175.72 2gbu s HIS 43 N -1.28 0.49 0.29 0.29 3.76 0.19 -3.39 115.29 115.64 2gbu s HIS 43 Ca 0.39 -0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.98 2gbu s HIS 43 Cb -0.21 -0.62 -0.15 0.00 1.11 0.00 0.00 32.58 32.71 2gbu s HIS 43 CO 0.25 -0.23 0.61 0.41 -0.85 0.00 0.00 174.74 174.93 2gbu n GLY 44 N 4.70 -1.42 2.61 -2.22 0.00 0.79 -0.66 105.19 108.99 2gbu n GLY 44 Ca -0.15 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2gbu n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbu s PHE 45 N -1.18 0.40 -0.03 1.61 5.36 -0.72 -1.04 117.98 122.37 2gbu s PHE 45 Ca 0.62 -0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 55.96 2gbu s PHE 45 Cb -0.77 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.08 2gbu s PHE 45 CO 0.58 -0.63 0.09 -1.01 -1.46 0.00 0.00 175.22 172.79 2gbu s HIS 46 N 2.07 -0.09 -0.18 10.12 3.76 -0.62 -1.88 115.29 128.46 2gbu s HIS 46 Ca 0.04 0.24 -0.27 0.00 -0.15 0.00 0.00 55.06 54.92 2gbu s HIS 46 Cb -0.16 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.53 2gbu s HIS 46 CO -0.17 -0.05 0.92 0.08 -0.85 0.00 0.00 174.74 174.66 2gbu s VAL 47 N 0.16 4.81 0.29 -0.90 1.01 -0.79 -0.14 120.40 124.85 2gbu s VAL 47 Ca -0.01 1.80 0.06 0.00 0.00 0.00 0.00 61.98 63.84 2gbu s VAL 47 Cb -0.02 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2gbu s VAL 47 CO -0.00 -0.04 0.35 -1.00 0.00 0.00 0.00 175.10 174.41 2gbu s HIS 48 N 2.46 3.16 0.16 5.22 3.76 0.14 -0.73 115.29 129.47 2gbu s HIS 48 Ca 0.41 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 55.08 2gbu s HIS 48 Cb -0.16 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.82 2gbu s HIS 48 CO 0.11 0.25 1.48 1.49 -0.85 0.00 0.00 174.74 177.22 2gbu h GLU 49 N 1.15 0.75 -6.06 1.40 4.81 -1.00 -2.85 114.58 112.80 2gbu h GLU 49 Ca -0.48 -0.44 -0.68 0.00 -0.13 0.00 0.00 59.36 57.63 2gbu h GLU 49 Cb 1.25 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 2gbu h GLU 49 CO 0.58 1.07 -0.65 -0.06 -0.73 0.00 0.00 179.01 179.22 2gbu s PHE 50 N -4.16 3.08 -0.25 0.92 0.08 -0.34 -4.71 117.98 112.60 2gbu s PHE 50 Ca -0.09 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.06 2gbu s PHE 50 Cb 0.11 -1.75 0.10 0.00 -0.57 0.00 0.00 43.02 40.92 2gbu s PHE 50 CO 0.87 0.43 2.29 0.41 -0.10 0.00 0.00 175.22 179.12 2gbu n GLY 51 N 2.05 3.74 3.36 4.36 0.00 -0.98 -3.48 105.19 114.23 2gbu n GLY 51 Ca -0.18 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 2gbu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbu s ASP 52 N 0.73 5.64 0.00 1.61 -1.08 -1.26 -4.93 116.67 117.38 2gbu s ASP 52 Ca 0.33 -0.98 0.18 0.00 -0.52 0.00 0.00 52.55 51.56 2gbu s ASP 52 Cb 0.23 -1.99 0.45 0.00 -1.46 0.00 0.00 42.92 40.15 2gbu s ASP 52 CO -0.04 -0.36 1.37 -3.20 0.52 0.00 0.00 175.17 173.46 2gbu n ASN 53 N 4.96 3.39 0.03 -0.34 4.05 -1.26 -2.30 115.26 123.79 2gbu n ASN 53 Ca -0.12 -1.96 0.05 0.00 0.45 0.00 0.00 54.58 52.99 2gbu n ASN 53 Cb 0.46 -0.32 0.45 0.00 1.23 0.00 0.00 39.78 41.60 2gbu n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbu h THR 54 N 3.45 1.09 -0.57 -0.44 1.35 -1.94 -0.24 112.91 115.60 2gbu h THR 54 Ca 0.00 -0.17 -0.38 0.00 -0.55 0.00 0.00 66.41 65.32 2gbu h THR 54 Cb 0.87 0.55 -0.24 0.00 -1.73 0.00 0.00 68.15 67.60 2gbu h THR 54 CO 0.00 0.09 -0.20 0.00 -0.25 0.00 0.00 175.52 175.16 2gbu n ALA 55 N -2.48 4.86 -0.32 6.62 0.00 -1.26 -5.06 120.51 122.86 2gbu n ALA 55 Ca 0.03 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2gbu n ALA 55 Cb 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2gbu n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbu n GLY 56 N -0.96 0.58 0.20 0.00 0.00 -0.10 -3.34 105.19 101.56 2gbu n GLY 56 Ca 0.41 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.71 2gbu n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbu h ALA 57 N -0.32 1.00 -0.80 4.61 0.00 -1.86 -3.20 119.26 118.69 2gbu h ALA 57 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2gbu h ALA 57 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2gbu h ALA 57 CO 0.00 0.00 0.36 1.15 0.00 0.00 0.00 179.25 180.76 2gbu h THR 58 N 0.00 1.26 0.00 0.00 2.02 -1.88 -2.80 112.91 111.51 2gbu h THR 58 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2gbu h THR 58 Cb 0.49 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2gbu h THR 58 CO 0.00 0.31 0.00 -1.54 0.37 0.00 0.00 175.52 174.66 2gbu n SER 59 N -4.33 0.44 0.33 4.18 3.41 -1.21 -3.13 113.62 113.32 2gbu n SER 59 Ca 0.07 0.56 0.20 0.00 -0.26 0.00 0.00 58.87 59.45 2gbu n SER 59 Cb 0.16 -0.67 1.08 0.00 -0.26 0.00 0.00 64.21 64.51 2gbu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbu h ALA 60 N 2.61 1.14 -0.11 7.33 0.00 -1.17 -3.40 119.26 125.66 2gbu h ALA 60 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gbu h ALA 60 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gbu h ALA 60 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2gbu n GLY 61 N -1.14 -1.16 3.92 0.00 0.00 -1.18 -1.20 105.19 104.44 2gbu n GLY 61 Ca -0.03 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 2gbu n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbu s PRO 62 N 0.00 1.55 0.32 1.61 0.04 -1.26 -4.63 135.00 132.63 2gbu s PRO 62 Ca 0.00 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 60.55 2gbu s PRO 62 Cb 0.00 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 2gbu s PRO 62 CO 0.00 -1.78 0.84 0.72 0.04 0.00 0.00 177.00 176.82 2gbu n HIS 63 N -3.35 0.65 -2.20 0.56 8.25 -1.26 -1.12 115.22 116.74 2gbu n HIS 63 Ca 0.11 0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 57.86 2gbu n HIS 63 Cb 0.60 -2.15 -0.03 0.00 1.12 0.00 0.00 29.99 29.53 2gbu n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbu s PHE 64 N -1.15 2.94 -0.49 4.41 5.36 0.10 -4.47 117.98 124.67 2gbu s PHE 64 Ca 0.61 0.84 0.06 0.00 -0.96 0.00 0.00 56.93 57.48 2gbu s PHE 64 Cb -0.70 -3.67 0.20 0.00 -0.34 0.00 0.00 43.02 38.51 2gbu s PHE 64 CO 0.59 -2.46 0.67 -1.71 -1.46 0.00 0.00 175.22 170.86 2gbu n ASN 65 N 5.01 -2.60 -2.84 6.13 5.15 -1.26 -2.06 115.26 122.78 2gbu n ASN 65 Ca 0.13 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 2gbu n ASN 65 Cb 0.43 1.20 0.00 0.00 -0.53 0.00 0.00 39.78 40.89 2gbu n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2gbu n PRO 66 N 2.59 -0.24 0.00 1.20 -0.04 -1.26 -5.00 135.00 132.26 2gbu n PRO 66 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2gbu n PRO 66 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2gbu n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2gbu n LEU 67 N 0.00 0.00 0.00 1.53 4.77 -1.26 -5.09 117.00 116.95 2gbu n LEU 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2gbu n LEU 67 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2gbu n LEU 67 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 2gbu n HIS 80 N 0.00 0.00 -0.37 -1.77 -0.00 -1.26 -5.32 115.22 106.50 2gbu n HIS 80 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2gbu n HIS 80 Cb 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.15 2gbu n HIS 80 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2gbu h VAL 81 N 0.00 1.13 0.00 1.59 2.07 -1.95 0.17 116.25 119.26 2gbu h VAL 81 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2gbu h VAL 81 Cb 0.00 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.57 2gbu h VAL 81 CO 0.00 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.42 2gbu n GLY 82 N -1.37 -1.48 3.56 2.17 0.00 -0.88 -4.36 105.19 102.85 2gbu n GLY 82 Ca 0.14 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2gbu n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbu s ASP 83 N -4.44 5.36 -0.32 1.61 -1.08 0.59 -1.88 116.67 116.51 2gbu s ASP 83 Ca 0.07 0.69 0.09 0.00 -0.52 0.00 0.00 52.55 52.88 2gbu s ASP 83 Cb 0.10 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.69 2gbu s ASP 83 CO 0.49 -2.24 1.70 0.18 0.52 0.00 0.00 175.17 175.82 2gbu n LEU 84 N 12.38 5.50 0.00 -1.34 4.77 -0.79 -5.03 117.00 132.49 2gbu n LEU 84 Ca 0.23 -3.41 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 2gbu n LEU 84 Cb 0.51 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2gbu n LEU 84 CO 0.70 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.32 2gbu n GLY 85 N -0.64 1.36 3.50 -0.72 0.00 -1.24 -4.79 105.19 102.66 2gbu n GLY 85 Ca 0.41 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2gbu n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbu s ASN 86 N -4.00 2.89 0.21 1.61 0.01 -1.26 -1.76 114.94 112.64 2gbu s ASN 86 Ca 0.00 -1.36 0.12 0.00 -0.71 0.00 0.00 52.86 50.91 2gbu s ASN 86 Cb 0.00 -0.19 -0.05 0.00 0.41 0.00 0.00 41.25 41.42 2gbu s ASN 86 CO 0.00 -0.53 -0.23 0.68 -1.51 0.00 0.00 177.10 175.51 2gbu s VAL 87 N -3.08 2.39 -0.22 1.60 -7.23 0.17 -4.83 120.40 109.19 2gbu s VAL 87 Ca 0.35 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2gbu s VAL 87 Cb 0.09 -2.17 0.04 0.00 0.56 0.00 0.00 36.38 34.90 2gbu s VAL 87 CO 0.16 -0.18 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.73 2gbu s THR 88 N -1.86 2.15 0.11 5.32 2.01 -1.26 -0.63 115.64 121.47 2gbu s THR 88 Ca 0.23 -1.26 -0.15 0.00 0.31 0.00 0.00 61.69 60.81 2gbu s THR 88 Cb -0.07 -2.08 -0.07 0.00 0.01 0.00 0.00 72.50 70.29 2gbu s THR 88 CO 0.11 0.27 0.53 0.00 -0.69 0.00 0.00 174.62 174.84 2gbu s ALA 89 N 1.21 3.60 0.72 7.40 0.00 -0.21 -4.16 121.76 130.31 2gbu s ALA 89 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2gbu s ALA 89 Cb -0.16 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2gbu s ALA 89 CO -0.09 0.45 0.00 -0.40 0.00 0.00 0.00 175.76 175.72 2gbu n ASP 90 N 1.12 0.00 -0.29 0.00 5.68 0.54 -2.11 116.55 121.49 2gbu n ASP 90 Ca -0.07 -0.77 0.05 0.00 -0.50 0.00 0.00 54.79 53.50 2gbu n ASP 90 Cb 0.52 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.76 2gbu n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbu h LYS 91 N 0.00 0.94 -0.16 0.11 2.10 -1.98 -2.44 116.57 115.13 2gbu h LYS 91 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2gbu h LYS 91 Cb 0.00 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.12 2gbu h LYS 91 CO 0.00 0.62 0.00 -0.25 -2.00 0.00 0.00 179.45 177.82 2gbu n ASP 92 N -4.50 1.29 0.00 7.07 8.00 -1.26 -4.89 116.55 122.27 2gbu n ASP 92 Ca 0.14 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.90 2gbu n ASP 92 Cb 0.23 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2gbu n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbu n GLY 93 N 1.01 0.63 3.69 0.44 0.00 -0.92 -4.74 105.19 105.30 2gbu n GLY 93 Ca 0.14 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2gbu n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbu s VAL 94 N -2.00 5.13 -0.28 1.61 1.01 -1.26 -1.97 120.40 122.65 2gbu s VAL 94 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2gbu s VAL 94 Cb 0.00 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2gbu s VAL 94 CO 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 2gbu s ALA 95 N 0.31 2.71 -0.22 5.51 0.00 0.84 -0.34 121.76 130.58 2gbu s ALA 95 Ca 0.06 -1.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.08 2gbu s ALA 95 Cb -0.12 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2gbu s ALA 95 CO -0.01 -1.17 0.73 -0.51 0.00 0.00 0.00 175.76 174.79 2gbu s ASP 96 N 1.22 6.75 -0.13 0.00 1.01 -1.26 -0.94 116.67 123.31 2gbu s ASP 96 Ca -0.06 0.92 -0.12 0.00 0.71 0.00 0.00 52.55 54.01 2gbu s ASP 96 Cb -0.19 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2gbu s ASP 96 CO -0.03 -0.40 0.25 -0.69 0.21 0.00 0.00 175.17 174.51 2gbu s VAL 97 N 2.41 5.33 -0.28 -1.27 1.01 0.12 -4.84 120.40 122.87 2gbu s VAL 97 Ca 0.32 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2gbu s VAL 97 Cb -0.16 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.79 2gbu s VAL 97 CO 0.09 0.47 0.29 -0.55 0.00 0.00 0.00 175.10 175.41 2gbu s SER 98 N -0.10 1.62 0.08 3.32 0.15 -1.26 -1.96 113.70 115.56 2gbu s SER 98 Ca 0.16 -0.70 0.06 0.00 0.70 0.00 0.00 55.95 56.17 2gbu s SER 98 Cb -0.13 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2gbu s SER 98 CO 0.04 -0.38 -0.16 -0.63 1.20 0.00 0.00 173.24 173.31 2gbu s ILE 99 N 2.37 1.29 -0.06 6.45 1.01 0.92 -5.01 121.20 128.17 2gbu s ILE 99 Ca 0.09 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.35 2gbu s ILE 99 Cb -0.14 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.10 2gbu s ILE 99 CO -0.31 -0.20 -0.08 -0.70 0.00 0.00 0.00 174.94 173.65 2gbu s GLU 100 N -1.87 1.26 0.02 2.79 2.12 -1.26 -0.45 118.70 121.30 2gbu s GLU 100 Ca 0.01 -0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2gbu s GLU 100 Cb -0.10 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.15 2gbu s GLU 100 CO 0.03 -0.03 -0.11 0.34 -0.54 0.00 0.00 175.26 174.95 2gbu s ASP 101 N 0.81 1.27 0.00 -1.70 2.15 -0.46 -4.96 116.67 113.78 2gbu s ASP 101 Ca -0.12 -0.32 0.09 0.00 0.43 0.00 0.00 52.55 52.62 2gbu s ASP 101 Cb -0.15 -0.10 0.06 0.00 -0.30 0.00 0.00 42.92 42.44 2gbu s ASP 101 CO 0.02 0.04 0.76 -1.20 -0.17 0.00 0.00 175.17 174.61 2gbu n SER 102 N 2.32 1.66 -0.06 -0.34 7.64 -1.26 -0.07 113.62 123.51 2gbu n SER 102 Ca -0.16 -1.33 -0.22 0.00 1.01 0.00 0.00 58.87 58.17 2gbu n SER 102 Cb 0.56 0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.70 2gbu n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbu n VAL 103 N 0.39 1.65 -1.73 0.44 0.31 -1.26 -4.90 118.33 113.22 2gbu n VAL 103 Ca 0.05 -0.46 -0.32 0.00 -0.01 0.00 0.00 64.34 63.60 2gbu n VAL 103 Cb 0.22 -1.77 0.04 0.00 -0.91 0.00 0.00 33.84 31.42 2gbu n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbu s ILE 104 N -2.50 3.73 0.01 2.52 -4.36 -1.26 -5.03 121.20 114.32 2gbu s ILE 104 Ca -0.28 0.69 -0.04 0.00 -0.26 0.00 0.00 60.65 60.77 2gbu s ILE 104 Cb 0.08 -3.28 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 2gbu s ILE 104 CO 0.67 -0.61 0.06 -0.55 0.24 0.00 0.00 174.94 174.75 2gbu s SER 105 N -3.18 0.13 0.00 4.36 0.15 -1.26 -4.60 113.70 109.31 2gbu s SER 105 Ca 0.62 -0.36 0.28 0.00 0.70 0.00 0.00 55.95 57.19 2gbu s SER 105 Cb -0.16 0.16 1.10 0.00 -1.71 0.00 0.00 66.02 65.41 2gbu s SER 105 CO 0.46 -0.34 1.78 0.18 1.20 0.00 0.00 173.24 176.52 2gbu n LEU 106 N 1.49 0.84 -4.29 3.45 4.77 -1.26 -1.37 117.00 120.63 2gbu n LEU 106 Ca -0.23 -0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.39 2gbu n LEU 106 Cb 0.55 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 2gbu n LEU 106 CO 0.21 0.15 -0.20 -0.94 -1.33 0.00 0.00 177.39 175.28 2gbu s SER 107 N -2.33 1.18 0.00 -1.43 1.04 -1.26 -4.68 113.70 106.22 2gbu s SER 107 Ca 0.31 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2gbu s SER 107 Cb 0.20 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2gbu s SER 107 CO 0.45 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2gbu n GLY 108 N -0.50 -0.30 0.30 7.32 0.00 -1.26 -3.61 105.19 107.15 2gbu n GLY 108 Ca 0.02 -1.84 0.19 0.00 0.00 0.00 0.00 46.02 44.39 2gbu n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbu h ASP 109 N 0.00 0.00 -0.26 1.61 3.32 -2.00 -2.40 116.42 116.69 2gbu h ASP 109 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2gbu h ASP 109 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2gbu h ASP 109 CO 0.00 0.01 -0.00 1.41 -1.72 0.00 0.00 179.24 178.94 2gbu n HIS 110 N -3.13 0.93 -1.53 4.55 8.25 -1.26 -5.04 115.22 117.99 2gbu n HIS 110 Ca -0.01 -0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 56.10 2gbu n HIS 110 Cb 0.21 -0.33 0.03 0.00 1.12 0.00 0.00 29.99 31.02 2gbu n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbu n ALA 111 N -0.61 -0.59 1.54 -1.41 0.00 -0.91 -4.65 120.51 113.88 2gbu n ALA 111 Ca 0.22 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.90 2gbu n ALA 111 Cb 0.90 -1.94 0.60 0.00 0.00 0.00 0.00 19.45 19.01 2gbu n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbu n ILE 112 N -1.17 0.00 -1.94 0.00 -5.35 -0.47 -4.89 119.36 105.55 2gbu n ILE 112 Ca 0.11 -0.15 -0.42 0.00 -0.27 0.00 0.00 62.75 62.02 2gbu n ILE 112 Cb 0.43 0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 2gbu n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2gbu s ILE 113 N -2.15 2.54 0.00 7.28 -1.09 -1.26 -1.94 121.20 124.57 2gbu s ILE 113 Ca 0.36 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2gbu s ILE 113 Cb 0.21 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 2gbu s ILE 113 CO 0.39 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 2gbu n GLY 114 N 2.85 0.76 2.37 6.18 0.00 0.31 -5.01 105.19 112.66 2gbu n GLY 114 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2gbu n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbu n ARG 115 N -2.42 0.93 -5.12 1.61 1.74 -0.82 -2.31 116.66 110.27 2gbu n ARG 115 Ca 0.00 -2.08 -0.32 0.00 -0.77 0.00 0.00 57.85 54.67 2gbu n ARG 115 Cb 0.00 0.14 -0.16 0.00 -1.02 0.00 0.00 32.46 31.41 2gbu n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbu s THR 116 N -1.58 2.32 -0.19 0.55 2.01 -1.07 0.03 115.64 117.71 2gbu s THR 116 Ca 0.24 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 61.12 2gbu s THR 116 Cb -0.02 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2gbu s THR 116 CO 0.15 0.55 0.49 -0.22 -0.69 0.00 0.00 174.62 174.90 2gbu s LEU 117 N 0.22 4.16 -0.03 4.42 2.96 0.43 0.29 118.68 131.13 2gbu s LEU 117 Ca -0.14 0.66 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 2gbu s LEU 117 Cb -0.17 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2gbu s LEU 117 CO 0.07 -0.14 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.02 2gbu s VAL 118 N 1.44 2.09 -0.15 1.68 1.01 0.80 -1.42 120.40 125.86 2gbu s VAL 118 Ca 0.23 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2gbu s VAL 118 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2gbu s VAL 118 CO 0.09 0.58 -0.06 0.54 0.00 0.00 0.00 175.10 176.25 2gbu s VAL 119 N -0.54 3.66 0.32 2.92 0.11 -0.72 -1.59 120.40 124.57 2gbu s VAL 119 Ca 0.08 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.75 2gbu s VAL 119 Cb -0.11 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 2gbu s VAL 119 CO -0.00 0.50 0.41 -1.00 -3.33 0.00 0.00 175.10 171.68 2gbu s HIS 120 N 0.33 3.10 0.09 1.54 3.76 -0.20 -1.03 115.29 122.87 2gbu s HIS 120 Ca -0.06 -0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.44 2gbu s HIS 120 Cb -0.15 -1.88 -0.09 0.00 1.11 0.00 0.00 32.58 31.57 2gbu s HIS 120 CO 0.04 0.10 1.60 1.49 -0.85 0.00 0.00 174.74 177.12 2gbu h GLU 121 N 1.03 0.31 -6.05 1.40 4.81 -0.95 -3.37 114.58 111.77 2gbu h GLU 121 Ca -0.46 -0.07 -0.53 0.00 -0.13 0.00 0.00 59.36 58.17 2gbu h GLU 121 Cb 1.25 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 2gbu h GLU 121 CO 0.55 0.41 -0.38 0.15 -0.73 0.00 0.00 179.01 179.01 2gbu s LYS 122 N -5.42 2.38 0.40 1.92 1.02 -1.26 -4.82 119.74 113.97 2gbu s LYS 122 Ca -0.14 -1.75 -0.24 0.00 0.02 0.00 0.00 55.97 53.87 2gbu s LYS 122 Cb 0.07 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.08 2gbu s LYS 122 CO 0.71 -0.31 1.08 0.00 -0.92 0.00 0.00 175.35 175.92 2gbu s ALA 123 N -2.59 3.09 -0.70 5.17 0.00 -1.22 -0.15 121.76 125.36 2gbu s ALA 123 Ca 0.43 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 2gbu s ALA 123 Cb -0.01 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2gbu s ALA 123 CO 0.25 -0.31 1.16 0.16 0.00 0.00 0.00 175.76 177.02 2gbu s ASP 124 N -1.46 6.19 0.55 0.00 -4.77 -1.26 -4.75 116.67 111.16 2gbu s ASP 124 Ca 0.58 -0.58 -0.03 0.00 -3.30 0.00 0.00 52.55 49.21 2gbu s ASP 124 Cb -0.24 -2.51 0.05 0.00 -1.09 0.00 0.00 42.92 39.13 2gbu s ASP 124 CO 0.30 -1.67 0.11 -1.54 0.70 0.00 0.00 175.17 173.07 2gbu n SER 142 N 8.73 -1.47 -4.13 2.11 3.41 -1.26 -5.02 113.62 115.98 2gbu n SER 142 Ca 0.01 -0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.17 2gbu n SER 142 Cb 0.48 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 2gbu n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gbu s ARG 143 N -1.83 2.43 -0.01 4.33 0.52 -1.26 -0.25 118.95 122.88 2gbu s ARG 143 Ca 0.09 -1.25 -0.20 0.00 -0.52 0.00 0.00 55.73 53.85 2gbu s ARG 143 Cb -0.02 -3.01 -0.27 0.00 0.52 0.00 0.00 34.95 32.17 2gbu s ARG 143 CO 0.07 -0.56 1.02 -0.07 0.02 0.00 0.00 175.30 175.79 2gbu h LEU 144 N 7.91 0.53 -7.64 2.53 3.38 -1.37 -3.47 115.31 117.18 2gbu h LEU 144 Ca -0.23 -0.84 -0.10 0.00 0.09 0.00 0.00 57.88 56.80 2gbu h LEU 144 Cb 1.06 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.47 2gbu h LEU 144 CO 0.51 1.31 -0.32 0.00 0.09 0.00 0.00 178.44 180.03 2gbu s ALA 145 N -2.91 -0.54 0.06 1.53 0.00 -1.16 -4.13 121.76 114.61 2gbu s ALA 145 Ca -0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 2gbu s ALA 145 Cb 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 2gbu s ALA 145 CO 0.83 -0.37 0.12 0.00 0.00 0.00 0.00 175.76 176.34 2gbu s ALA 146 N -2.42 -0.05 -0.24 0.00 0.00 -0.43 -1.75 121.76 116.86 2gbu s ALA 146 Ca -0.06 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 2gbu s ALA 146 Cb -0.01 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.53 2gbu s ALA 146 CO -0.03 -0.42 0.63 0.20 0.00 0.00 0.00 175.76 176.15 2gbu s GLY 147 N -2.60 -0.50 0.06 0.00 0.00 -0.51 -1.42 107.32 102.35 2gbu s GLY 147 Ca 0.02 1.92 -0.30 0.00 0.00 0.00 0.00 44.72 46.35 2gbu s GLY 147 CO -0.08 1.75 1.08 0.14 0.00 0.00 0.00 173.10 175.99 2gbu s VAL 148 N 0.72 4.37 -0.37 1.40 1.01 -1.26 -0.43 120.40 125.84 2gbu s VAL 148 Ca -0.03 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 2gbu s VAL 148 Cb -0.05 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2gbu s VAL 148 CO -0.05 0.18 1.20 -0.63 0.00 0.00 0.00 175.10 175.79 2gbu s ILE 149 N 0.75 4.24 0.20 2.22 1.01 0.10 -4.47 121.20 125.26 2gbu s ILE 149 Ca 0.54 1.37 0.11 0.00 0.00 0.00 0.00 60.65 62.66 2gbu s ILE 149 Cb -0.26 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2gbu s ILE 149 CO 0.30 -0.66 -0.18 -0.83 0.00 0.00 0.00 174.94 173.57 2gbu s GLY 150 N 2.48 1.73 0.15 6.18 0.00 0.35 -0.53 107.32 117.68 2gbu s GLY 150 Ca 0.51 -1.61 -0.31 0.00 0.00 0.00 0.00 44.72 43.31 2gbu s GLY 150 CO 0.24 -1.64 1.58 -0.42 0.00 0.00 0.00 173.10 172.86 2gbu s ILE 151 N -1.80 2.70 0.22 0.90 1.01 -1.26 -1.05 121.20 121.92 2gbu s ILE 151 Ca 0.24 0.46 0.08 0.00 0.00 0.00 0.00 60.65 61.43 2gbu s ILE 151 Cb -0.08 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2gbu s ILE 151 CO 0.13 0.03 0.00 0.00 0.00 0.00 0.00 174.94 175.10 2gbu s ALA 152 N 1.41 3.18 -2.00 9.38 0.00 -0.84 -4.84 121.76 128.05 2gbu s ALA 152 Ca 0.71 -1.51 0.28 0.00 0.00 0.00 0.00 51.96 51.44 2gbu s ALA 152 Cb -0.43 -0.89 1.68 0.00 0.00 0.00 0.00 23.12 23.48 2gbu s ALA 152 CO 0.31 0.37 2.02 0.94 0.00 0.00 0.00 175.76 179.40