#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 5.19 0.01 0.00 2.01 -0.71 -4.96 115.64 117.19 2gbu s THR 2 Ca 0.00 0.76 0.08 0.00 0.31 0.00 0.00 61.69 62.84 2gbu s THR 2 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2gbu s THR 2 CO 0.00 0.43 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.58 2gbu s LYS 3 N 0.01 1.80 0.12 4.92 1.02 -1.26 -1.09 119.74 125.27 2gbu s LYS 3 Ca 0.22 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2gbu s LYS 3 Cb -0.15 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2gbu s LYS 3 CO 0.09 0.49 0.04 0.00 -0.92 0.00 0.00 175.35 175.05 2gbu s ALA 4 N -0.65 0.86 -0.14 5.17 0.00 -0.24 -2.06 121.76 124.71 2gbu s ALA 4 Ca 0.09 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 2gbu s ALA 4 Cb -0.09 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.83 2gbu s ALA 4 CO 0.00 -0.46 0.40 0.54 0.00 0.00 0.00 175.76 176.24 2gbu s VAL 5 N -4.00 0.01 -0.09 0.00 0.11 0.47 -0.26 120.40 116.63 2gbu s VAL 5 Ca 0.22 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2gbu s VAL 5 Cb 0.07 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2gbu s VAL 5 CO 0.00 -0.02 -0.20 0.00 -3.33 0.00 0.00 175.10 171.56 2gbu s ALA 6 N 0.05 1.86 -0.42 1.54 0.00 0.43 -0.70 121.76 124.52 2gbu s ALA 6 Ca -0.01 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 2gbu s ALA 6 Cb -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2gbu s ALA 6 CO 0.01 0.18 0.34 0.08 0.00 0.00 0.00 175.76 176.37 2gbu s VAL 7 N 0.53 5.22 -0.32 0.00 1.01 -1.26 -1.16 120.40 124.41 2gbu s VAL 7 Ca -0.16 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 2gbu s VAL 7 Cb -0.17 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.26 2gbu s VAL 7 CO 0.06 -0.35 1.00 -0.76 0.00 0.00 0.00 175.10 175.04 2gbu s LEU 8 N 1.79 3.97 0.02 3.92 1.43 0.12 -3.84 118.68 126.10 2gbu s LEU 8 Ca 0.07 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 2gbu s LEU 8 Cb -0.19 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 2gbu s LEU 8 CO 0.11 -0.82 -0.19 -0.54 0.23 0.00 0.00 176.35 175.13 2gbu s LYS 9 N 3.49 1.36 0.25 1.70 1.02 -0.41 -1.83 119.74 125.32 2gbu s LYS 9 Ca 0.42 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.64 2gbu s LYS 9 Cb -0.12 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.78 2gbu s LYS 9 CO 0.15 0.37 0.27 0.41 -0.92 0.00 0.00 175.35 175.63 2gbu n GLY 10 N 2.17 2.89 0.07 -3.33 0.00 -1.23 -1.54 105.19 104.23 2gbu n GLY 10 Ca -0.16 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2gbu n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbu h ASP 11 N 1.48 0.06 -0.37 1.61 5.19 -1.88 -3.48 116.42 119.03 2gbu h ASP 11 Ca -0.18 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2gbu h ASP 11 Cb 0.88 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2gbu h ASP 11 CO 0.26 1.07 0.00 0.61 -3.12 0.00 0.00 179.24 178.05 2gbu n GLY 12 N 1.46 0.96 0.05 2.75 0.00 -1.26 -4.97 105.19 104.17 2gbu n GLY 12 Ca -0.08 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.62 -2.44 1.61 -0.04 -1.26 -4.85 135.00 128.63 2gbu n PRO 13 Ca 0.00 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 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 -2.44 4.29 0.01 0.52 1.01 -1.26 -4.03 120.40 118.50 2gbu s VAL 14 Ca 0.32 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.69 2gbu s VAL 14 Cb 0.20 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2gbu s VAL 14 CO 0.45 -0.19 0.33 0.00 0.00 0.00 0.00 175.10 175.68 2gbu s GLN 15 N 3.58 0.76 0.09 2.72 -2.07 -0.74 -3.51 119.66 120.49 2gbu s GLN 15 Ca 0.54 -0.32 -0.27 0.00 -1.82 0.00 0.00 55.36 53.49 2gbu s GLN 15 Cb -0.20 0.33 0.08 0.00 -1.09 0.00 0.00 33.01 32.13 2gbu s GLN 15 CO 0.15 -0.23 1.07 0.20 -1.32 0.00 0.00 175.29 175.16 2gbu s GLY 16 N -1.67 -0.30 -0.10 2.60 0.00 -0.76 -1.01 107.32 106.09 2gbu s GLY 16 Ca -0.09 0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 2gbu s GLY 16 CO 0.01 0.06 -0.06 -0.42 0.00 0.00 0.00 173.10 172.69 2gbu s ILE 17 N -3.00 0.83 -0.14 0.90 1.01 -0.95 0.15 121.20 120.01 2gbu s ILE 17 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2gbu s ILE 17 Cb 0.01 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2gbu s ILE 17 CO -0.00 0.33 -0.20 -0.63 0.00 0.00 0.00 174.94 174.44 2gbu s ILE 18 N 1.70 1.96 0.01 2.92 -1.09 -0.31 -2.22 121.20 124.17 2gbu s ILE 18 Ca 0.03 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.52 2gbu s ILE 18 Cb -0.13 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 2gbu s ILE 18 CO -0.07 0.53 0.18 0.20 -1.23 0.00 0.00 174.94 174.55 2gbu s ASN 19 N 0.92 6.29 -0.03 3.58 0.01 0.13 -0.43 114.94 125.41 2gbu s ASN 19 Ca -0.05 0.30 0.06 0.00 -0.71 0.00 0.00 52.86 52.46 2gbu s ASN 19 Cb -0.15 -1.95 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 2gbu s ASN 19 CO -0.03 0.24 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.23 2gbu s PHE 20 N -1.36 1.96 0.01 2.20 0.40 0.64 -1.42 117.98 120.40 2gbu s PHE 20 Ca 0.29 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2gbu s PHE 20 Cb -0.13 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.12 2gbu s PHE 20 CO 0.21 -0.10 -0.05 -2.00 0.70 0.00 0.00 175.22 173.98 2gbu s GLU 21 N -0.30 0.37 -0.29 0.44 2.12 -0.01 -1.07 118.70 119.96 2gbu s GLU 21 Ca 0.03 -0.29 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 2gbu s GLU 21 Cb -0.10 -0.29 0.10 0.00 0.26 0.00 0.00 34.13 34.09 2gbu s GLU 21 CO 0.01 0.07 0.11 -1.14 -0.54 0.00 0.00 175.26 173.77 2gbu s GLN 22 N -0.45 0.41 0.20 4.30 0.74 -0.25 0.31 119.66 124.92 2gbu s GLN 22 Ca -0.02 -0.72 -0.12 0.00 0.05 0.00 0.00 55.36 54.55 2gbu s GLN 22 Cb -0.04 -1.55 0.12 0.00 1.10 0.00 0.00 33.01 32.65 2gbu s GLN 22 CO -0.00 -0.98 1.87 0.87 -0.55 0.00 0.00 175.29 176.50 2gbu h LYS 23 N 8.28 0.89 -5.94 1.67 1.79 -1.84 -1.88 116.57 119.54 2gbu h LYS 23 Ca -0.17 -0.05 -0.66 0.00 -2.18 0.00 0.00 60.65 57.59 2gbu h LYS 23 Cb 1.02 -0.20 -0.31 0.00 -1.58 0.00 0.00 32.23 31.16 2gbu h LYS 23 CO 0.44 0.59 -0.87 -1.21 -1.08 0.00 0.00 179.45 177.32 2gbu s GLU 24 N -6.14 2.24 0.50 3.15 0.41 -1.26 -4.24 118.70 113.36 2gbu s GLU 24 Ca -0.13 -0.83 0.34 0.00 -0.41 0.00 0.00 54.97 53.94 2gbu s GLU 24 Cb 0.14 -1.96 1.60 0.00 -1.78 0.00 0.00 34.13 32.14 2gbu s GLU 24 CO 0.77 0.38 2.01 0.66 -0.49 0.00 0.00 175.26 178.59 2gbu h SER 25 N 5.98 0.00 -0.25 -0.19 4.64 -1.97 0.12 113.55 121.88 2gbu h SER 25 Ca -0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2gbu h SER 25 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2gbu h SER 25 CO 0.47 0.00 -0.00 -0.46 -0.87 0.00 0.00 176.83 175.97 2gbu n ASN 26 N -2.81 3.78 -4.93 4.97 6.94 -1.26 -4.90 115.26 117.05 2gbu n ASN 26 Ca -0.01 -3.04 -0.24 0.00 -0.02 0.00 0.00 54.58 51.27 2gbu n ASN 26 Cb 0.18 -0.54 0.01 0.00 -2.36 0.00 0.00 39.78 37.06 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 -2.00 2.21 0.65 4.83 0.00 0.41 -5.11 107.32 108.31 2gbu s GLY 27 Ca 0.42 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.46 2gbu s GLY 27 CO 0.08 -1.86 1.16 2.56 0.00 0.00 0.00 173.10 175.04 2gbu s PRO 28 N -4.35 2.71 -0.22 2.90 0.04 -1.26 -4.86 135.00 129.97 2gbu s PRO 28 Ca 0.41 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2gbu s PRO 28 Cb -0.03 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2gbu s PRO 28 CO 0.26 -1.37 0.34 0.08 0.04 0.00 0.00 177.00 176.35 2gbu s VAL 29 N -2.00 5.23 -0.18 -0.36 1.01 0.77 -4.44 120.40 120.44 2gbu s VAL 29 Ca 0.72 0.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.04 2gbu s VAL 29 Cb -0.26 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2gbu s VAL 29 CO 0.39 0.27 0.75 -0.75 0.00 0.00 0.00 175.10 175.76 2gbu s LYS 30 N 1.31 4.27 -0.19 2.72 2.20 0.15 -1.41 119.74 128.78 2gbu s LYS 30 Ca 0.16 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2gbu s LYS 30 Cb -0.15 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 2gbu s LYS 30 CO 0.07 -0.28 -0.14 0.08 -0.36 0.00 0.00 175.35 174.72 2gbu s VAL 31 N 2.01 2.58 0.07 4.02 1.01 0.22 -0.83 120.40 129.49 2gbu s VAL 31 Ca 0.35 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2gbu s VAL 31 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2gbu s VAL 31 CO 0.12 0.50 0.25 -1.66 0.00 0.00 0.00 175.10 174.30 2gbu s TRP 32 N 1.32 0.01 -4.88 5.22 -2.14 -0.50 0.15 118.94 118.12 2gbu s TRP 32 Ca 0.05 -0.31 0.00 0.00 2.66 0.00 0.00 56.10 58.50 2gbu s TRP 32 Cb -0.14 0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.27 2gbu s TRP 32 CO -0.09 -0.53 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 2gbu n GLY 33 N 0.24 -0.45 3.42 3.67 0.00 -0.84 0.20 105.19 111.42 2gbu n GLY 33 Ca -0.17 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2gbu n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbu s SER 34 N -4.00 -0.52 -0.04 1.61 0.15 -0.94 -1.31 113.70 108.64 2gbu s SER 34 Ca 0.00 0.87 0.04 0.00 0.70 0.00 0.00 55.95 57.56 2gbu s SER 34 Cb 0.00 0.89 -0.00 0.00 -1.71 0.00 0.00 66.02 65.20 2gbu s SER 34 CO 0.00 -0.29 -0.16 -0.63 1.20 0.00 0.00 173.24 173.36 2gbu s ILE 35 N -0.19 1.33 0.33 6.45 1.01 -0.25 -2.23 121.20 127.64 2gbu s ILE 35 Ca -0.04 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2gbu s ILE 35 Cb -0.03 -1.15 -0.07 0.00 0.01 0.00 0.00 42.46 41.22 2gbu s ILE 35 CO 0.03 0.39 0.02 -1.59 0.00 0.00 0.00 174.94 173.79 2gbu s LYS 36 N 0.10 1.68 0.00 2.79 -2.85 -0.18 0.45 119.74 121.73 2gbu s LYS 36 Ca -0.04 -1.92 0.00 0.00 -1.00 0.00 0.00 55.97 53.01 2gbu s LYS 36 Cb -0.11 -1.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.58 2gbu s LYS 36 CO 0.02 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.77 2gbu n GLY 37 N -0.71 0.56 3.93 0.59 0.00 -1.10 -1.79 105.19 106.66 2gbu n GLY 37 Ca -0.03 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 4.21 0.52 0.99 1.43 -0.84 -4.09 118.68 120.90 2gbu s LEU 38 Ca 0.00 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.31 2gbu s LEU 38 Cb 0.00 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 2gbu s LEU 38 CO 0.00 -0.06 1.15 0.42 0.23 0.00 0.00 176.35 178.09 2gbu s THR 39 N -1.90 3.10 0.20 5.49 -4.23 -1.26 -4.15 115.64 112.90 2gbu s THR 39 Ca 0.39 0.73 -0.33 0.00 -1.18 0.00 0.00 61.69 61.31 2gbu s THR 39 Cb -0.11 -3.32 -0.14 0.00 1.34 0.00 0.00 72.50 70.27 2gbu s THR 39 CO 0.29 -0.10 1.51 1.21 -0.54 0.00 0.00 174.62 176.99 2gbu n GLU 40 N -1.04 2.14 0.00 3.99 2.13 -1.26 -4.60 120.64 122.00 2gbu n GLU 40 Ca 0.10 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2gbu n GLU 40 Cb 0.50 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.71 2gbu n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbu n GLY 41 N 2.83 0.23 3.75 8.31 0.00 -0.50 -4.93 105.19 114.87 2gbu n GLY 41 Ca 0.14 -2.31 -0.40 0.00 0.00 0.00 0.00 46.02 43.45 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 4.56 -0.04 0.99 1.43 -1.26 -1.67 118.68 122.68 2gbu s LEU 42 Ca 0.00 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2gbu s LEU 42 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2gbu s LEU 42 CO 0.00 -0.07 -0.04 -1.00 0.23 0.00 0.00 176.35 175.47 2gbu s HIS 43 N -0.81 0.70 0.40 0.29 3.76 0.50 -2.17 115.29 117.96 2gbu s HIS 43 Ca 0.45 -0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 54.91 2gbu s HIS 43 Cb -0.29 -0.65 -0.10 0.00 1.11 0.00 0.00 32.58 32.65 2gbu s HIS 43 CO 0.36 -0.19 1.29 0.41 -0.85 0.00 0.00 174.74 175.75 2gbu n GLY 44 N 4.11 0.59 2.56 -2.22 0.00 -0.49 -0.73 105.19 109.01 2gbu n GLY 44 Ca -0.24 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.17 0.65 0.06 1.61 5.36 0.61 -0.51 117.98 124.60 2gbu s PHE 45 Ca 0.59 -1.20 0.04 0.00 -0.96 0.00 0.00 56.93 55.40 2gbu s PHE 45 Cb -0.52 -1.05 -0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2gbu s PHE 45 CO 0.59 -0.84 -0.12 -1.01 -1.46 0.00 0.00 175.22 172.39 2gbu s HIS 46 N 1.76 1.05 -0.21 10.12 3.76 -0.71 -2.74 115.29 128.32 2gbu s HIS 46 Ca 0.11 -0.46 -0.16 0.00 -0.15 0.00 0.00 55.06 54.40 2gbu s HIS 46 Cb -0.18 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.87 2gbu s HIS 46 CO -0.26 0.01 0.41 0.08 -0.85 0.00 0.00 174.74 174.14 2gbu s VAL 47 N -1.26 5.18 0.22 -0.90 1.01 -0.59 -0.87 120.40 123.20 2gbu s VAL 47 Ca -0.04 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2gbu s VAL 47 Cb -0.10 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2gbu s VAL 47 CO 0.02 0.23 0.26 -1.00 0.00 0.00 0.00 175.10 174.60 2gbu s HIS 48 N 1.45 3.28 0.21 5.22 3.76 0.14 -1.69 115.29 127.66 2gbu s HIS 48 Ca 0.19 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 55.00 2gbu s HIS 48 Cb -0.15 -1.51 0.17 0.00 1.11 0.00 0.00 32.58 32.20 2gbu s HIS 48 CO 0.08 0.49 1.68 1.49 -0.85 0.00 0.00 174.74 177.63 2gbu h GLU 49 N 1.58 0.96 -6.27 1.40 4.81 -0.88 -2.73 114.58 113.44 2gbu h GLU 49 Ca -0.50 -0.30 -0.58 0.00 -0.13 0.00 0.00 59.36 57.86 2gbu h GLU 49 Cb 1.23 -0.09 -0.21 0.00 0.63 0.00 0.00 28.75 30.30 2gbu h GLU 49 CO 0.62 0.96 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.97 2gbu s PHE 50 N -4.97 1.90 0.53 0.92 0.08 -1.26 -4.70 117.98 110.49 2gbu s PHE 50 Ca -0.11 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.36 2gbu s PHE 50 Cb 0.14 -1.02 -0.07 0.00 -0.57 0.00 0.00 43.02 41.50 2gbu s PHE 50 CO 0.84 0.26 1.01 0.20 -0.10 0.00 0.00 175.22 177.43 2gbu s GLY 51 N -2.08 2.12 0.28 4.36 0.00 -1.26 -4.30 107.32 106.43 2gbu s GLY 51 Ca 0.10 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 2gbu s GLY 51 CO 0.05 0.56 1.32 1.22 0.00 0.00 0.00 173.10 176.25 2gbu n ASP 52 N -1.64 2.58 -0.91 1.64 9.92 -1.26 -4.89 116.55 121.99 2gbu n ASP 52 Ca 0.07 1.17 0.07 0.00 -0.53 0.00 0.00 54.79 55.58 2gbu n ASP 52 Cb 0.54 -1.43 0.23 0.00 -0.64 0.00 0.00 41.12 39.82 2gbu n ASP 52 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2gbu n ASN 53 N 1.53 3.67 -3.83 -2.24 2.04 -1.26 -5.00 115.26 110.18 2gbu n ASN 53 Ca 0.09 -2.52 -0.11 0.00 -0.44 0.00 0.00 54.58 51.59 2gbu n ASN 53 Cb 0.33 -0.43 -0.09 0.00 -2.53 0.00 0.00 39.78 37.07 2gbu n ASN 53 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2gbu s THR 54 N -1.95 0.09 -0.03 5.53 -1.32 -1.26 -5.15 115.64 111.56 2gbu s THR 54 Ca 0.36 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.78 2gbu s THR 54 Cb 0.25 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.43 2gbu s THR 54 CO 0.14 -0.42 0.94 0.00 -2.21 0.00 0.00 174.62 173.06 2gbu s ALA 55 N -2.16 3.23 -0.86 11.08 0.00 -1.26 -3.80 121.76 127.98 2gbu s ALA 55 Ca -0.08 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2gbu s ALA 55 Cb -0.03 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2gbu s ALA 55 CO -0.02 -0.27 0.11 0.41 0.00 0.00 0.00 175.76 176.00 2gbu n GLY 56 N 2.97 -0.02 3.74 0.00 0.00 -1.26 -4.97 105.19 105.65 2gbu n GLY 56 Ca 0.05 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2gbu n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbu n ALA 57 N -1.94 2.45 0.44 4.61 0.00 -1.25 -4.93 120.51 119.89 2gbu n ALA 57 Ca -0.10 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.80 2gbu n ALA 57 Cb 0.58 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.47 2gbu n ALA 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gbu n THR 58 N 2.09 0.00 -3.58 0.00 -2.24 -1.26 -4.96 114.28 104.33 2gbu n THR 58 Ca 0.09 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 2gbu n THR 58 Cb 0.36 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 2gbu n THR 58 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2gbu s SER 59 N -3.19 6.50 -0.21 3.42 0.01 -1.26 -4.32 113.70 114.65 2gbu s SER 59 Ca 0.01 0.58 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 2gbu s SER 59 Cb 0.12 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 2gbu s SER 59 CO 0.70 0.19 0.66 0.00 0.41 0.00 0.00 173.24 175.19 2gbu s ALA 60 N -0.04 3.56 1.00 1.44 0.00 -1.26 -5.03 121.76 121.43 2gbu s ALA 60 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2gbu s ALA 60 Cb -0.13 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2gbu s ALA 60 CO 0.06 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2gbu n GLY 61 N 3.83 -0.40 3.61 0.00 0.00 -1.26 -4.94 105.19 106.02 2gbu n GLY 61 Ca -0.00 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 2gbu n GLY 61 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gbu n PRO 62 N 0.00 0.67 -2.12 1.61 -0.02 -1.26 -4.77 135.00 129.10 2gbu n PRO 62 Ca 0.00 0.28 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 2gbu n PRO 62 Cb 0.00 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 2gbu n PRO 62 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2gbu s HIS 63 N -1.68 2.61 -0.62 6.00 3.76 -1.26 -0.39 115.29 123.71 2gbu s HIS 63 Ca 0.75 1.51 -0.27 0.00 -0.15 0.00 0.00 55.06 56.89 2gbu s HIS 63 Cb -0.38 -3.45 0.02 0.00 1.11 0.00 0.00 32.58 29.88 2gbu s HIS 63 CO 0.49 -1.91 1.41 0.12 -0.85 0.00 0.00 174.74 174.00 2gbu s PHE 64 N -1.57 2.23 -0.39 1.40 5.36 -0.68 -4.19 117.98 120.13 2gbu s PHE 64 Ca 0.71 0.35 0.09 0.00 -0.96 0.00 0.00 56.93 57.11 2gbu s PHE 64 Cb -0.30 -4.44 0.27 0.00 -0.34 0.00 0.00 43.02 38.21 2gbu s PHE 64 CO 0.34 -2.02 0.56 -1.71 -1.46 0.00 0.00 175.22 170.93 2gbu n ASN 65 N 9.83 0.34 0.24 6.13 5.15 -1.26 -1.74 115.26 133.96 2gbu n ASN 65 Ca 0.10 -2.76 0.11 0.00 -0.60 0.00 0.00 54.58 51.43 2gbu n ASN 65 Cb 0.49 -0.64 0.59 0.00 -0.53 0.00 0.00 39.78 39.70 2gbu n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gbu h PRO 66 N 3.84 0.00 -0.04 1.20 0.13 -1.99 -2.81 132.00 132.33 2gbu h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2gbu h PRO 66 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2gbu h PRO 66 CO 0.47 0.19 0.00 1.28 -0.23 0.00 0.00 178.00 179.71 2gbu n LEU 67 N -3.59 1.86 -3.43 1.56 4.77 -1.26 -4.97 117.00 111.94 2gbu n LEU 67 Ca -0.01 -0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 2gbu n LEU 67 Cb 0.33 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2gbu n LEU 67 CO 0.32 0.32 0.17 -1.20 -1.33 0.00 0.00 177.39 175.67 2gbu n SER 68 N 0.45 -4.14 -4.72 -1.43 7.64 -1.06 -5.02 113.62 105.34 2gbu n SER 68 Ca 0.18 -0.56 -0.23 0.00 1.01 0.00 0.00 58.87 59.26 2gbu n SER 68 Cb 0.41 -4.94 0.10 0.00 -1.01 0.00 0.00 64.21 58.77 2gbu n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbu s ARG 69 N -5.79 1.80 0.43 1.43 1.81 -1.26 -5.11 118.95 112.26 2gbu s ARG 69 Ca 0.28 -1.06 -0.06 0.00 -1.72 0.00 0.00 55.73 53.18 2gbu s ARG 69 Cb -0.12 -2.35 -0.04 0.00 -0.45 0.00 0.00 34.95 31.98 2gbu s ARG 69 CO 0.71 -1.35 0.74 0.15 -0.68 0.00 0.00 175.30 174.86 2gbu s LYS 70 N -5.10 3.59 0.36 3.54 -0.14 -1.26 -4.73 119.74 116.01 2gbu s LYS 70 Ca 0.65 0.18 -0.28 0.00 -1.36 0.00 0.00 55.97 55.17 2gbu s LYS 70 Cb -0.06 -2.43 -0.10 0.00 -1.68 0.00 0.00 37.83 33.56 2gbu s LYS 70 CO 0.44 -0.10 1.29 -1.58 -0.76 0.00 0.00 175.35 174.64 2gbu s HIS 71 N -2.56 2.99 0.00 3.18 5.65 -0.23 -3.00 115.29 121.31 2gbu s HIS 71 Ca 0.47 1.43 0.00 0.00 0.25 0.00 0.00 55.06 57.21 2gbu s HIS 71 Cb -0.10 -3.65 0.00 0.00 -1.18 0.00 0.00 32.58 27.65 2gbu s HIS 71 CO 0.40 -1.87 0.00 0.41 -0.65 0.00 0.00 174.74 173.03 2gbu n GLY 72 N 0.75 2.82 3.94 1.59 0.00 -1.24 -4.39 105.19 108.66 2gbu n GLY 72 Ca 0.01 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 2gbu n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbu s GLY 73 N -0.80 1.67 0.53 -0.02 0.00 -1.24 -4.71 107.32 102.76 2gbu s GLY 73 Ca 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 44.72 43.91 2gbu s GLY 73 CO 0.00 -0.72 2.13 -0.56 0.00 0.00 0.00 173.10 173.95 2gbu h PRO 74 N -0.06 0.00 0.00 2.90 0.13 -1.88 -2.05 132.00 131.04 2gbu h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2gbu h PRO 74 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2gbu h PRO 74 CO 0.57 0.00 -0.11 1.63 -0.23 0.00 0.00 178.00 179.87 2gbu n LYS 75 N -4.43 0.14 -2.85 0.86 5.02 -1.26 -4.88 118.16 110.75 2gbu n LYS 75 Ca -0.01 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 2gbu n LYS 75 Cb 0.19 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 2gbu n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gbu s ASP 76 N -3.74 7.11 0.12 4.39 1.01 -0.77 -4.97 116.67 119.82 2gbu s ASP 76 Ca 0.12 1.70 -0.06 0.00 0.71 0.00 0.00 52.55 55.02 2gbu s ASP 76 Cb 0.16 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.43 2gbu s ASP 76 CO 0.59 -0.19 1.29 -0.08 0.21 0.00 0.00 175.17 176.99 2gbu h GLU 77 N 2.60 0.45 -5.77 8.23 4.22 -1.90 -3.39 114.58 119.01 2gbu h GLU 77 Ca -0.48 -0.48 -0.60 0.00 0.08 0.00 0.00 59.36 57.87 2gbu h GLU 77 Cb 1.19 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.45 2gbu h GLU 77 CO 0.63 1.14 0.86 -2.00 -2.18 0.00 0.00 179.01 177.46 2gbu s GLU 78 N -3.26 3.25 0.18 1.92 2.56 -1.26 -4.95 118.70 117.13 2gbu s GLU 78 Ca -0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 54.97 53.91 2gbu s GLU 78 Cb 0.09 -4.42 0.06 0.00 2.00 0.00 0.00 34.13 31.85 2gbu s GLU 78 CO 0.87 -1.97 0.60 -0.98 -0.56 0.00 0.00 175.26 173.23 2gbu s ARG 79 N 4.57 1.36 0.66 4.30 1.70 -1.16 -3.72 118.95 126.66 2gbu s ARG 79 Ca 0.30 -0.61 -0.12 0.00 -0.47 0.00 0.00 55.73 54.84 2gbu s ARG 79 Cb -0.11 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 2gbu s ARG 79 CO 0.07 -0.59 1.05 -1.01 -1.08 0.00 0.00 175.30 173.74 2gbu s HIS 80 N -3.79 3.13 0.27 5.89 3.76 -1.23 -4.60 115.29 118.72 2gbu s HIS 80 Ca 0.03 1.43 -0.02 0.00 -0.15 0.00 0.00 55.06 56.35 2gbu s HIS 80 Cb -0.02 -2.89 0.41 0.00 1.11 0.00 0.00 32.58 31.19 2gbu s HIS 80 CO -0.09 -1.14 1.90 0.28 -0.85 0.00 0.00 174.74 174.84 2gbu h VAL 81 N -0.40 1.11 -0.21 -0.90 2.07 -1.90 -2.58 116.25 113.44 2gbu h VAL 81 Ca -0.44 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2gbu h VAL 81 Cb 1.21 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2gbu h VAL 81 CO 0.57 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2gbu n GLY 82 N -1.37 0.43 3.55 2.17 0.00 -0.71 -4.43 105.19 104.82 2gbu n GLY 82 Ca 0.14 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2gbu n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbu s ASP 83 N -0.84 6.77 -0.18 1.61 1.01 -0.98 -1.54 116.67 122.53 2gbu s ASP 83 Ca 0.15 -2.25 0.13 0.00 0.71 0.00 0.00 52.55 51.29 2gbu s ASP 83 Cb 0.09 -2.54 0.70 0.00 1.01 0.00 0.00 42.92 42.18 2gbu s ASP 83 CO 0.09 -1.18 1.57 0.18 0.21 0.00 0.00 175.17 176.04 2gbu n LEU 84 N 7.95 4.90 0.00 1.23 4.77 -1.11 -3.39 117.00 131.35 2gbu n LEU 84 Ca 0.41 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 2gbu n LEU 84 Cb 0.47 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2gbu n LEU 84 CO 0.70 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 2gbu n GLY 85 N 0.67 1.89 3.21 -0.72 0.00 -1.21 -4.74 105.19 104.29 2gbu n GLY 85 Ca 0.24 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 2.14 0.17 1.61 0.01 -1.26 -0.28 114.94 113.33 2gbu s ASN 86 Ca 0.00 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2gbu s ASN 86 Cb 0.00 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 2gbu s ASN 86 CO 0.00 0.10 0.17 0.68 -1.51 0.00 0.00 177.10 176.54 2gbu s VAL 87 N -0.83 4.63 -0.18 1.60 -7.23 0.09 -4.90 120.40 113.57 2gbu s VAL 87 Ca 0.05 -1.06 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 2gbu s VAL 87 Cb -0.08 -3.38 0.01 0.00 0.56 0.00 0.00 36.38 33.48 2gbu s VAL 87 CO 0.02 -0.14 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.62 2gbu s THR 88 N -1.80 2.53 -0.08 5.32 2.01 -1.26 -0.37 115.64 121.99 2gbu s THR 88 Ca 0.32 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.37 2gbu s THR 88 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2gbu s THR 88 CO 0.24 0.51 0.38 0.00 -0.69 0.00 0.00 174.62 175.06 2gbu s ALA 89 N 1.16 3.62 1.06 7.40 0.00 -0.67 -4.18 121.76 130.15 2gbu s ALA 89 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2gbu s ALA 89 Cb -0.14 -2.43 0.13 0.00 0.00 0.00 0.00 23.12 20.67 2gbu s ALA 89 CO -0.06 0.26 0.58 -0.40 0.00 0.00 0.00 175.76 176.14 2gbu n ASP 90 N 2.76 -0.78 0.26 0.00 5.68 -0.47 -1.41 116.55 122.58 2gbu n ASP 90 Ca -0.12 -1.01 0.13 0.00 -0.50 0.00 0.00 54.79 53.28 2gbu n ASP 90 Cb 0.52 -0.48 0.68 0.00 -1.14 0.00 0.00 41.12 40.69 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 0.00 -0.00 0.11 2.10 -1.96 -0.72 116.57 116.10 2gbu h LYS 91 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2gbu h LYS 91 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2gbu h LYS 91 CO 0.14 0.14 -0.00 -0.25 -2.00 0.00 0.00 179.45 177.47 2gbu n ASP 92 N -3.53 0.20 -0.03 7.07 8.00 -1.26 -4.83 116.55 122.16 2gbu n ASP 92 Ca -0.01 -1.00 -0.00 0.00 0.71 0.00 0.00 54.79 54.48 2gbu n ASP 92 Cb 0.28 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.05 0.44 3.52 0.44 0.00 -0.27 -4.76 105.19 105.60 2gbu n GLY 93 Ca 0.23 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.01 4.11 -0.36 1.61 1.01 -1.26 -1.98 120.40 121.52 2gbu s VAL 94 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2gbu s VAL 94 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.60 2gbu s VAL 94 CO 0.00 0.47 0.14 0.00 0.00 0.00 0.00 175.10 175.71 2gbu s ALA 95 N 0.53 3.12 -0.40 5.51 0.00 0.17 -1.37 121.76 129.32 2gbu s ALA 95 Ca -0.01 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 2gbu s ALA 95 Cb -0.14 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2gbu s ALA 95 CO 0.02 -1.39 1.19 0.34 0.00 0.00 0.00 175.76 175.92 2gbu s ASP 96 N 1.52 6.67 -0.15 0.00 -1.08 -1.26 -1.10 116.67 121.28 2gbu s ASP 96 Ca -0.00 0.78 -0.17 0.00 -0.52 0.00 0.00 52.55 52.64 2gbu s ASP 96 Cb -0.20 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 2gbu s ASP 96 CO 0.03 -1.16 0.43 -0.69 0.52 0.00 0.00 175.17 174.30 2gbu s VAL 97 N 4.38 5.21 -0.41 1.11 1.01 -0.43 -4.87 120.40 126.40 2gbu s VAL 97 Ca 0.50 0.83 0.05 0.00 0.00 0.00 0.00 61.98 63.36 2gbu s VAL 97 Cb -0.11 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.67 2gbu s VAL 97 CO 0.26 0.31 0.47 -0.55 0.00 0.00 0.00 175.10 175.60 2gbu s SER 98 N 0.71 0.30 0.18 3.32 0.15 -1.25 -1.99 113.70 115.13 2gbu s SER 98 Ca 0.23 -1.63 0.10 0.00 0.70 0.00 0.00 55.95 55.35 2gbu s SER 98 Cb -0.15 0.91 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2gbu s SER 98 CO 0.08 -0.20 -0.17 -0.63 1.20 0.00 0.00 173.24 173.52 2gbu s ILE 99 N 1.26 2.77 -0.03 6.45 1.01 0.12 -5.00 121.20 127.79 2gbu s ILE 99 Ca 0.20 -1.83 0.02 0.00 0.00 0.00 0.00 60.65 59.05 2gbu s ILE 99 Cb -0.09 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2gbu s ILE 99 CO -0.05 -0.10 -0.08 -0.70 0.00 0.00 0.00 174.94 174.00 2gbu s GLU 100 N -2.71 0.96 -0.03 2.79 2.12 -1.26 -0.61 118.70 119.96 2gbu s GLU 100 Ca 0.22 -0.27 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 2gbu s GLU 100 Cb -0.08 -0.90 0.01 0.00 0.26 0.00 0.00 34.13 33.42 2gbu s GLU 100 CO 0.12 0.08 0.08 0.34 -0.54 0.00 0.00 175.26 175.34 2gbu s ASP 101 N 0.32 -0.07 0.00 -1.70 2.15 -0.50 -4.97 116.67 111.91 2gbu s ASP 101 Ca -0.05 0.16 0.10 0.00 0.43 0.00 0.00 52.55 53.19 2gbu s ASP 101 Cb -0.10 0.14 0.25 0.00 -0.30 0.00 0.00 42.92 42.91 2gbu s ASP 101 CO 0.01 -0.05 1.16 -1.20 -0.17 0.00 0.00 175.17 174.91 2gbu n SER 102 N 3.31 2.68 -0.11 -0.34 7.64 -1.26 -0.16 113.62 125.37 2gbu n SER 102 Ca -0.16 -1.88 -0.24 0.00 1.01 0.00 0.00 58.87 57.60 2gbu n SER 102 Cb 0.58 -0.18 -0.11 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.50 1.55 -2.28 0.44 0.31 -1.26 -4.94 118.33 112.65 2gbu n VAL 103 Ca 0.10 -0.42 -0.36 0.00 -0.01 0.00 0.00 64.34 63.66 2gbu n VAL 103 Cb 0.39 -1.75 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.49 3.19 0.07 2.52 -4.36 -1.26 -5.01 121.20 113.86 2gbu s ILE 104 Ca -0.34 0.81 0.03 0.00 -0.26 0.00 0.00 60.65 60.89 2gbu s ILE 104 Cb 0.11 -3.37 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 2gbu s ILE 104 CO 0.58 -0.09 -0.09 -0.55 0.24 0.00 0.00 174.94 175.02 2gbu s SER 105 N -1.60 1.18 0.00 4.36 0.15 -1.26 -4.55 113.70 111.98 2gbu s SER 105 Ca 0.68 -0.73 0.27 0.00 0.70 0.00 0.00 55.95 56.87 2gbu s SER 105 Cb -0.25 0.03 0.76 0.00 -1.71 0.00 0.00 66.02 64.85 2gbu s SER 105 CO 0.30 -0.26 1.57 0.18 1.20 0.00 0.00 173.24 176.23 2gbu n LEU 106 N 0.87 1.41 -4.21 3.45 4.77 -1.26 -1.34 117.00 120.69 2gbu n LEU 106 Ca -0.18 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.23 2gbu n LEU 106 Cb 0.57 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2gbu n LEU 106 CO 0.24 0.25 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.38 2gbu s SER 107 N -2.29 0.32 0.00 -1.43 1.04 -1.26 -4.65 113.70 105.44 2gbu s SER 107 Ca 0.29 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2gbu s SER 107 Cb 0.20 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2gbu s SER 107 CO 0.44 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2gbu n GLY 108 N -0.31 -2.26 0.24 7.32 0.00 -1.26 -3.83 105.19 105.09 2gbu n GLY 108 Ca 0.02 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.26 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 0.27 -0.64 1.61 3.32 -2.00 -2.94 116.42 116.04 2gbu h ASP 109 Ca 0.00 -0.06 -0.38 0.00 0.02 0.00 0.00 57.03 56.61 2gbu h ASP 109 Cb 0.00 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 39.25 2gbu h ASP 109 CO 0.00 0.45 0.09 1.41 -1.72 0.00 0.00 179.24 179.47 2gbu n HIS 110 N -4.24 2.06 -1.75 4.55 8.25 -1.26 -5.02 115.22 117.80 2gbu n HIS 110 Ca -0.01 -2.00 -0.40 0.00 -0.26 0.00 0.00 57.72 55.06 2gbu n HIS 110 Cb 0.30 -0.71 0.02 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.03 1.89 0.96 -1.41 0.00 -1.11 -4.50 120.51 115.31 2gbu n ALA 111 Ca 0.45 0.24 0.12 0.00 0.00 0.00 0.00 53.44 54.25 2gbu n ALA 111 Cb 1.08 -2.37 0.30 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.30 0.03 -1.69 0.00 -5.35 -0.45 -4.83 119.36 106.76 2gbu n ILE 112 Ca 0.06 -0.02 -0.44 0.00 -0.27 0.00 0.00 62.75 62.08 2gbu n ILE 112 Cb 0.41 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.38 2gbu n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbu n ILE 113 N -1.55 0.14 -0.29 7.28 5.41 -1.26 -0.42 119.36 128.67 2gbu n ILE 113 Ca 0.06 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2gbu n ILE 113 Cb 0.34 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2gbu n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gbu n GLY 114 N 3.92 0.90 4.02 7.39 0.00 0.42 -5.00 105.19 116.83 2gbu n GLY 114 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2gbu n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbu s ARG 115 N -0.57 2.13 -0.19 1.61 1.81 0.45 -4.34 118.95 119.85 2gbu s ARG 115 Ca 0.00 -1.38 -0.04 0.00 -1.72 0.00 0.00 55.73 52.58 2gbu s ARG 115 Cb 0.00 -2.54 -0.02 0.00 -0.45 0.00 0.00 34.95 31.94 2gbu s ARG 115 CO 0.00 -1.02 -0.03 0.99 -0.68 0.00 0.00 175.30 174.57 2gbu s THR 116 N -2.81 3.72 -0.05 0.02 2.01 -1.03 -0.33 115.64 117.16 2gbu s THR 116 Ca 0.63 -0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.01 2gbu s THR 116 Cb -0.06 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2gbu s THR 116 CO 0.40 0.44 0.66 -0.22 -0.69 0.00 0.00 174.62 175.22 2gbu s LEU 117 N 0.97 4.34 -0.04 4.42 2.96 -0.41 0.29 118.68 131.21 2gbu s LEU 117 Ca 0.01 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2gbu s LEU 117 Cb -0.14 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.54 2gbu s LEU 117 CO 0.01 -0.05 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.22 2gbu s VAL 118 N 0.51 0.76 -0.18 1.68 1.01 -0.05 -2.01 120.40 122.13 2gbu s VAL 118 Ca 0.35 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2gbu s VAL 118 Cb -0.18 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2gbu s VAL 118 CO 0.17 0.26 0.11 0.54 0.00 0.00 0.00 175.10 176.18 2gbu s VAL 119 N 0.62 5.19 0.26 2.92 0.11 -0.49 -1.73 120.40 127.28 2gbu s VAL 119 Ca -0.10 0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2gbu s VAL 119 Cb -0.13 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2gbu s VAL 119 CO 0.01 0.47 0.24 -1.00 -3.33 0.00 0.00 175.10 171.49 2gbu s HIS 120 N 0.18 3.13 0.25 1.54 3.76 0.34 -1.42 115.29 123.06 2gbu s HIS 120 Ca 0.07 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 54.82 2gbu s HIS 120 Cb -0.12 -1.50 0.47 0.00 1.11 0.00 0.00 32.58 32.55 2gbu s HIS 120 CO -0.01 0.45 1.75 1.49 -0.85 0.00 0.00 174.74 177.57 2gbu h GLU 121 N 1.40 0.52 -4.76 1.40 4.81 -0.04 -3.36 114.58 114.56 2gbu h GLU 121 Ca -0.48 -0.03 -0.38 0.00 -0.13 0.00 0.00 59.36 58.34 2gbu h GLU 121 Cb 1.24 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 2gbu h GLU 121 CO 0.60 0.35 -0.53 -1.59 -0.73 0.00 0.00 179.01 177.11 2gbu s LYS 122 N -6.00 1.54 0.42 1.92 -2.85 0.11 -4.95 119.74 109.92 2gbu s LYS 122 Ca -0.12 -1.86 -0.26 0.00 -1.00 0.00 0.00 55.97 52.73 2gbu s LYS 122 Cb 0.21 0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 2gbu s LYS 122 CO 0.77 -0.55 1.40 0.00 0.10 0.00 0.00 175.35 177.07 2gbu n ALA 123 N -0.48 1.91 -2.43 0.59 0.00 -0.92 -1.40 120.51 117.78 2gbu n ALA 123 Ca 0.05 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 2gbu n ALA 123 Cb 0.64 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 2gbu n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gbu s ASP 124 N -0.40 7.05 0.00 0.00 -1.08 -1.26 -3.84 116.67 117.15 2gbu s ASP 124 Ca 0.59 1.94 0.31 0.00 -0.52 0.00 0.00 52.55 54.86 2gbu s ASP 124 Cb -0.47 -2.57 1.62 0.00 -1.46 0.00 0.00 42.92 40.04 2gbu s ASP 124 CO 0.59 -0.53 2.07 -0.90 0.52 0.00 0.00 175.17 176.92 2gbu n ASP 125 N 4.56 0.42 -1.54 -0.34 5.68 0.26 -4.93 116.55 120.67 2gbu n ASP 125 Ca 0.10 -1.06 -0.16 0.00 -0.50 0.00 0.00 54.79 53.17 2gbu n ASP 125 Cb 0.46 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2gbu n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbu n LEU 126 N -0.71 -1.47 0.00 -2.12 4.77 -1.26 -2.18 117.00 114.03 2gbu n LEU 126 Ca 0.22 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2gbu n LEU 126 Cb 0.19 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 38.98 2gbu n LEU 126 CO 0.18 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.42 2gbu n GLY 127 N -1.04 0.93 1.96 -0.72 0.00 -1.24 -3.65 105.19 101.43 2gbu n GLY 127 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2gbu n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbu n LYS 128 N -2.00 2.69 0.01 1.61 4.76 -0.93 -4.58 118.16 119.74 2gbu n LYS 128 Ca 0.00 -3.48 0.11 0.00 -2.87 0.00 0.00 58.31 52.07 2gbu n LYS 128 Cb 0.00 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.00 2gbu n LYS 128 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gbu n GLY 129 N -0.94 -1.13 1.52 0.72 0.00 -1.26 -5.00 105.19 99.10 2gbu n GLY 129 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2gbu n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbu n GLY 130 N 1.39 0.57 3.43 -0.02 0.00 -1.26 -5.00 105.19 104.30 2gbu n GLY 130 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2gbu n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbu s ASN 131 N -2.76 1.27 0.09 1.61 2.20 -1.26 -5.07 114.94 111.03 2gbu s ASN 131 Ca 0.00 -1.62 -0.16 0.00 -0.94 0.00 0.00 52.86 50.14 2gbu s ASN 131 Cb 0.00 0.65 -0.09 0.00 -2.00 0.00 0.00 41.25 39.82 2gbu s ASN 131 CO 0.00 -1.26 1.43 -0.08 -2.94 0.00 0.00 177.10 174.25 2gbu h GLU 132 N 2.08 0.63 -0.09 3.55 4.81 -2.01 -2.99 114.58 120.57 2gbu h GLU 132 Ca -0.27 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.68 2gbu h GLU 132 Cb 1.24 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2gbu h GLU 132 CO 0.37 0.91 0.07 1.49 -0.73 0.00 0.00 179.01 181.12 2gbu h GLU 133 N 0.37 0.00 -0.58 1.92 4.57 -1.99 -2.19 114.58 116.67 2gbu h GLU 133 Ca 0.05 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2gbu h GLU 133 Cb 0.76 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 2gbu h GLU 133 CO 0.06 0.00 0.29 1.03 -1.18 0.00 0.00 179.01 179.21 2gbu h SER 134 N 0.00 0.41 -0.01 1.04 0.87 -1.87 0.61 113.55 114.59 2gbu h SER 134 Ca 0.04 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2gbu h SER 134 Cb 0.19 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2gbu h SER 134 CO -0.00 0.27 0.00 0.35 -0.53 0.00 0.00 176.83 176.92 2gbu n THR 135 N -4.87 0.01 -0.09 2.23 -2.24 -0.83 -1.31 114.28 107.18 2gbu n THR 135 Ca 0.06 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 2gbu n THR 135 Cb 0.17 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 2gbu n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gbu n LYS 136 N -0.69 0.40 0.00 -0.78 5.02 -0.81 -1.06 118.16 120.24 2gbu n LYS 136 Ca 0.21 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2gbu n LYS 136 Cb 0.16 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2gbu n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gbu n THR 137 N -3.88 0.00 -1.07 -0.18 -2.24 0.14 -4.65 114.28 102.40 2gbu n THR 137 Ca -0.36 -0.32 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 2gbu n THR 137 Cb 0.74 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.98 2gbu n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbu n GLY 138 N 0.60 0.53 2.77 3.38 0.00 -0.43 -3.82 105.19 108.23 2gbu n GLY 138 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2gbu n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbu n ASN 139 N 0.02 -5.23 0.05 1.61 3.02 -1.26 -0.57 115.26 112.90 2gbu n ASN 139 Ca -0.03 -0.12 0.11 0.00 -0.03 0.00 0.00 54.58 54.51 2gbu n ASN 139 Cb 0.20 -4.32 0.45 0.00 -0.61 0.00 0.00 39.78 35.51 2gbu n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbu n ALA 140 N -2.82 1.95 0.00 5.41 0.00 -1.25 -4.77 120.51 119.03 2gbu n ALA 140 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2gbu n ALA 140 Cb 0.63 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2gbu n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbu n GLY 141 N 0.63 -1.38 3.73 0.00 0.00 -1.26 0.04 105.19 106.95 2gbu n GLY 141 Ca 0.04 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2gbu n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbu s SER 142 N -4.00 4.08 0.00 1.61 1.04 -1.26 -4.47 113.70 110.71 2gbu s SER 142 Ca 0.00 2.03 -0.30 0.00 0.48 0.00 0.00 55.95 58.16 2gbu s SER 142 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 2gbu s SER 142 CO 0.00 -2.32 1.28 -0.60 0.98 0.00 0.00 173.24 172.57 2gbu s ARG 143 N -4.58 4.35 -0.25 4.02 3.52 -1.26 0.27 118.95 125.02 2gbu s ARG 143 Ca 0.65 1.82 -0.03 0.00 -0.13 0.00 0.00 55.73 58.04 2gbu s ARG 143 Cb -0.21 -3.49 -0.17 0.00 -1.56 0.00 0.00 34.95 29.52 2gbu s ARG 143 CO 0.53 -0.44 -0.18 1.28 -0.81 0.00 0.00 175.30 175.68 2gbu n LEU 144 N 4.88 2.69 -3.76 -0.88 4.77 -0.51 -4.86 117.00 119.34 2gbu n LEU 144 Ca 0.11 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 2gbu n LEU 144 Cb 0.45 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 2gbu n LEU 144 CO 0.57 0.83 0.03 0.00 -1.33 0.00 0.00 177.39 177.49 2gbu s ALA 145 N -2.52 -0.78 0.05 -1.18 0.00 -1.16 -4.27 121.76 111.91 2gbu s ALA 145 Ca -0.34 0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 2gbu s ALA 145 Cb 0.10 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.39 2gbu s ALA 145 CO 0.59 -0.29 0.47 0.00 0.00 0.00 0.00 175.76 176.53 2gbu s ALA 146 N -1.56 -1.18 -0.10 0.00 0.00 -0.59 -1.40 121.76 116.94 2gbu s ALA 146 Ca -0.12 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 2gbu s ALA 146 Cb -0.04 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.54 2gbu s ALA 146 CO 0.03 -0.50 0.67 0.20 0.00 0.00 0.00 175.76 176.16 2gbu s GLY 147 N -2.05 -0.55 0.29 0.00 0.00 -0.85 -1.29 107.32 102.87 2gbu s GLY 147 Ca -0.05 1.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.81 2gbu s GLY 147 CO -0.03 1.10 1.13 0.14 0.00 0.00 0.00 173.10 175.44 2gbu s VAL 148 N -0.83 3.39 -0.45 1.40 1.01 -1.26 -1.29 120.40 122.37 2gbu s VAL 148 Ca -0.09 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.01 2gbu s VAL 148 Cb -0.01 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2gbu s VAL 148 CO 0.08 0.33 1.06 -0.63 0.00 0.00 0.00 175.10 175.94 2gbu s ILE 149 N -1.15 4.34 0.33 2.22 1.01 0.54 -4.42 121.20 124.07 2gbu s ILE 149 Ca 0.45 1.13 0.08 0.00 0.00 0.00 0.00 60.65 62.31 2gbu s ILE 149 Cb -0.33 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.58 2gbu s ILE 149 CO 0.43 -0.88 0.16 -0.83 0.00 0.00 0.00 174.94 173.82 2gbu s GLY 150 N 2.29 1.88 0.13 6.18 0.00 0.12 -0.44 107.32 117.49 2gbu s GLY 150 Ca 0.44 -1.77 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 2gbu s GLY 150 CO 0.28 -1.71 1.26 -0.42 0.00 0.00 0.00 173.10 172.51 2gbu s ILE 151 N -2.39 3.59 0.08 0.90 1.01 -1.26 -0.40 121.20 122.73 2gbu s ILE 151 Ca 0.38 1.22 0.04 0.00 0.00 0.00 0.00 60.65 62.29 2gbu s ILE 151 Cb -0.04 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2gbu s ILE 151 CO 0.23 0.14 0.02 0.00 0.00 0.00 0.00 174.94 175.34 2gbu s ALA 152 N 0.56 3.37 -2.00 9.38 0.00 -0.87 -4.77 121.76 127.42 2gbu s ALA 152 Ca 0.58 -1.07 0.31 0.00 0.00 0.00 0.00 51.96 51.78 2gbu s ALA 152 Cb -0.33 -1.28 1.86 0.00 0.00 0.00 0.00 23.12 23.37 2gbu s ALA 152 CO 0.33 0.71 2.18 0.94 0.00 0.00 0.00 175.76 179.92