#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 4.51 0.02 0.00 2.01 -1.13 -4.97 115.64 116.07 2gbu s THR 2 Ca 0.00 1.81 0.04 0.00 0.31 0.00 0.00 61.69 63.84 2gbu s THR 2 Cb 0.00 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2gbu s THR 2 CO 0.00 0.10 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.17 2gbu s LYS 3 N 1.36 0.81 0.16 4.92 2.20 -1.26 -1.64 119.74 126.28 2gbu s LYS 3 Ca 0.54 -0.54 -0.09 0.00 -0.36 0.00 0.00 55.97 55.52 2gbu s LYS 3 Cb -0.24 -0.77 -0.01 0.00 -1.51 0.00 0.00 37.83 35.30 2gbu s LYS 3 CO 0.26 0.20 0.27 0.00 -0.36 0.00 0.00 175.35 175.71 2gbu s ALA 4 N -0.59 0.02 -0.09 3.13 0.00 0.29 -2.15 121.76 122.37 2gbu s ALA 4 Ca 0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2gbu s ALA 4 Cb -0.06 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.93 2gbu s ALA 4 CO 0.00 -0.63 0.39 0.54 0.00 0.00 0.00 175.76 176.06 2gbu s VAL 5 N -3.96 0.02 -0.10 0.00 0.11 0.84 -0.09 120.40 117.22 2gbu s VAL 5 Ca 0.16 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2gbu s VAL 5 Cb 0.04 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2gbu s VAL 5 CO -0.01 -0.10 -0.16 0.00 -3.33 0.00 0.00 175.10 171.50 2gbu s ALA 6 N -0.46 1.72 -0.35 1.54 0.00 -0.24 -0.57 121.76 123.39 2gbu s ALA 6 Ca -0.06 -0.73 -0.19 0.00 0.00 0.00 0.00 51.96 50.98 2gbu s ALA 6 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2gbu s ALA 6 CO 0.03 0.02 0.59 0.08 0.00 0.00 0.00 175.76 176.47 2gbu s VAL 7 N 0.82 4.94 -0.23 0.00 1.01 -1.26 -1.21 120.40 124.46 2gbu s VAL 7 Ca -0.10 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 2gbu s VAL 7 Cb -0.16 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2gbu s VAL 7 CO 0.01 -0.27 0.80 -0.76 0.00 0.00 0.00 175.10 174.88 2gbu s LEU 8 N 2.58 4.09 0.04 3.92 1.43 0.14 -3.71 118.68 127.17 2gbu s LEU 8 Ca 0.22 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 2gbu s LEU 8 Cb -0.15 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 2gbu s LEU 8 CO 0.14 -0.48 -0.04 -0.54 0.23 0.00 0.00 176.35 175.66 2gbu s LYS 9 N 2.69 0.45 0.17 1.70 1.02 -0.31 -2.07 119.74 123.38 2gbu s LYS 9 Ca 0.34 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 2gbu s LYS 9 Cb -0.15 -0.00 0.03 0.00 -0.52 0.00 0.00 37.83 37.19 2gbu s LYS 9 CO 0.08 -0.03 0.41 0.41 -0.92 0.00 0.00 175.35 175.30 2gbu n GLY 10 N 1.21 1.38 1.73 -3.33 0.00 -1.26 -0.65 105.19 104.27 2gbu n GLY 10 Ca -0.21 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.18 5.77 -1.35 1.61 8.00 -1.26 -4.87 116.55 123.27 2gbu n ASP 11 Ca -0.04 -2.82 -0.01 0.00 0.71 0.00 0.00 54.79 52.63 2gbu n ASP 11 Cb 0.28 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 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 0.61 1.57 0.18 0.44 0.00 -1.26 -5.05 105.19 101.68 2gbu n GLY 12 Ca 0.21 -1.02 0.14 0.00 0.00 0.00 0.00 46.02 45.34 2gbu n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gbu h PRO 13 N 0.00 0.00 -6.28 1.61 0.13 -1.89 -3.44 132.00 122.12 2gbu h PRO 13 Ca -0.06 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.52 2gbu h PRO 13 Cb 0.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 2gbu h PRO 13 CO 0.07 0.00 0.77 0.08 -0.23 0.00 0.00 178.00 178.69 2gbu s VAL 14 N -3.34 4.19 0.00 1.56 1.01 -1.26 -4.25 120.40 118.31 2gbu s VAL 14 Ca 0.05 1.50 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 2gbu s VAL 14 Cb 0.09 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2gbu s VAL 14 CO 0.53 -0.03 0.30 0.00 0.00 0.00 0.00 175.10 175.89 2gbu s GLN 15 N 2.57 0.70 0.11 2.72 -2.07 -1.00 -4.07 119.66 118.61 2gbu s GLN 15 Ca 0.57 -0.28 -0.24 0.00 -1.82 0.00 0.00 55.36 53.58 2gbu s GLN 15 Cb -0.25 0.31 0.08 0.00 -1.09 0.00 0.00 33.01 32.06 2gbu s GLN 15 CO 0.21 -0.20 1.13 0.20 -1.32 0.00 0.00 175.29 175.30 2gbu s GLY 16 N -1.53 0.02 -0.03 2.60 0.00 -0.88 -1.00 107.32 106.49 2gbu s GLY 16 Ca -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 2gbu s GLY 16 CO 0.02 3.42 0.02 -0.42 0.00 0.00 0.00 173.10 176.14 2gbu s ILE 17 N -2.14 0.10 -0.12 0.90 1.01 -0.95 0.23 121.20 120.24 2gbu s ILE 17 Ca 0.24 0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2gbu s ILE 17 Cb -0.02 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.22 2gbu s ILE 17 CO 0.03 0.15 -0.21 -0.63 0.00 0.00 0.00 174.94 174.28 2gbu s ILE 18 N 1.33 1.92 -0.05 2.92 -1.09 -0.35 -2.52 121.20 123.36 2gbu s ILE 18 Ca -0.05 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2gbu s ILE 18 Cb -0.13 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2gbu s ILE 18 CO -0.03 0.52 0.22 0.20 -1.23 0.00 0.00 174.94 174.63 2gbu s ASN 19 N 0.70 6.46 -0.06 3.58 0.01 0.10 -1.08 114.94 124.66 2gbu s ASN 19 Ca -0.11 0.53 0.05 0.00 -0.71 0.00 0.00 52.86 52.63 2gbu s ASN 19 Cb -0.16 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 2gbu s ASN 19 CO 0.01 0.33 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.34 2gbu s PHE 20 N -1.17 2.26 -0.03 2.20 0.40 0.88 -1.71 117.98 120.80 2gbu s PHE 20 Ca 0.22 -0.69 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2gbu s PHE 20 Cb -0.13 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.92 2gbu s PHE 20 CO 0.11 -0.22 0.08 -2.00 0.70 0.00 0.00 175.22 173.90 2gbu s GLU 21 N -0.06 0.09 -0.23 0.44 2.12 -0.32 -0.55 118.70 120.19 2gbu s GLU 21 Ca -0.05 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 2gbu s GLU 21 Cb -0.14 0.01 0.09 0.00 0.26 0.00 0.00 34.13 34.36 2gbu s GLU 21 CO 0.04 -0.03 0.16 -1.14 -0.54 0.00 0.00 175.26 173.74 2gbu s GLN 22 N 0.20 0.17 0.38 4.30 0.74 -0.65 -0.45 119.66 124.34 2gbu s GLN 22 Ca -0.01 -0.18 0.20 0.00 0.05 0.00 0.00 55.36 55.42 2gbu s GLN 22 Cb -0.02 -1.32 0.63 0.00 1.10 0.00 0.00 33.01 33.40 2gbu s GLN 22 CO -0.01 -0.83 1.70 0.87 -0.55 0.00 0.00 175.29 176.47 2gbu h LYS 23 N 8.37 0.00 -4.08 1.67 1.57 -1.82 -3.00 116.57 119.29 2gbu h LYS 23 Ca -0.17 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.38 2gbu h LYS 23 Cb 1.09 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.16 2gbu h LYS 23 CO 0.34 0.33 -0.72 -1.21 -0.57 0.00 0.00 179.45 177.62 2gbu s GLU 24 N -3.46 0.28 0.55 3.15 2.02 -1.26 -3.96 118.70 116.02 2gbu s GLU 24 Ca 0.01 -0.38 0.36 0.00 0.02 0.00 0.00 54.97 54.99 2gbu s GLU 24 Cb 0.10 -0.09 1.72 0.00 0.10 0.00 0.00 34.13 35.95 2gbu s GLU 24 CO 0.68 0.01 2.08 0.66 0.02 0.00 0.00 175.26 178.71 2gbu h SER 25 N 5.32 0.00 0.18 -0.19 4.64 -1.98 -0.21 113.55 121.31 2gbu h SER 25 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2gbu h SER 25 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2gbu h SER 25 CO 0.46 0.00 -0.35 -0.46 -0.87 0.00 0.00 176.83 175.61 2gbu n ASN 26 N -2.95 1.24 -4.97 4.97 6.94 -1.26 -4.96 115.26 114.26 2gbu n ASN 26 Ca -0.01 -1.01 -0.19 0.00 -0.02 0.00 0.00 54.58 53.35 2gbu n ASN 26 Cb 0.19 0.25 0.04 0.00 -2.36 0.00 0.00 39.78 37.90 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 -2.54 1.86 0.80 4.83 0.00 -0.09 -5.09 107.32 107.09 2gbu s GLY 27 Ca 0.22 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 2gbu s GLY 27 CO 0.55 -1.33 1.12 2.56 0.00 0.00 0.00 173.10 176.01 2gbu s PRO 28 N -4.61 1.95 -0.33 2.90 0.04 -1.26 -4.88 135.00 128.81 2gbu s PRO 28 Ca 0.58 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.87 2gbu s PRO 28 Cb -0.09 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2gbu s PRO 28 CO 0.37 -1.90 0.16 0.08 0.04 0.00 0.00 177.00 175.75 2gbu s VAL 29 N -2.70 4.49 0.09 -0.36 1.01 0.16 -4.49 120.40 118.60 2gbu s VAL 29 Ca 0.64 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2gbu s VAL 29 Cb -0.20 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 2gbu s VAL 29 CO 0.54 -0.04 1.23 -0.54 0.00 0.00 0.00 175.10 176.30 2gbu s LYS 30 N 1.57 4.42 -0.21 2.72 1.02 0.40 -1.43 119.74 128.24 2gbu s LYS 30 Ca 0.03 1.84 0.01 0.00 0.02 0.00 0.00 55.97 57.87 2gbu s LYS 30 Cb -0.18 -3.31 0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2gbu s LYS 30 CO 0.06 -0.26 -0.08 0.08 -0.92 0.00 0.00 175.35 174.22 2gbu s VAL 31 N 0.89 1.55 0.01 3.17 1.01 -0.16 -1.17 120.40 125.72 2gbu s VAL 31 Ca 0.59 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 2gbu s VAL 31 Cb -0.31 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2gbu s VAL 31 CO 0.30 0.08 -0.01 -1.66 0.00 0.00 0.00 175.10 173.81 2gbu s TRP 32 N 1.42 0.17 -1.88 5.22 -2.14 -0.69 -0.45 118.94 120.58 2gbu s TRP 32 Ca -0.03 -0.35 0.00 0.00 2.66 0.00 0.00 56.10 58.38 2gbu s TRP 32 Cb -0.17 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.07 2gbu s TRP 32 CO -0.07 -0.14 0.00 0.41 -2.66 0.00 0.00 176.95 174.49 2gbu n GLY 33 N 2.03 -0.69 3.35 3.67 0.00 -0.77 0.03 105.19 112.82 2gbu n GLY 33 Ca -0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.34 -0.04 1.61 1.04 -1.05 -1.06 113.70 109.85 2gbu s SER 34 Ca 0.00 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.43 2gbu s SER 34 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2gbu s SER 34 CO 0.00 -0.76 -0.11 -0.63 0.98 0.00 0.00 173.24 172.72 2gbu s ILE 35 N -2.91 1.01 0.42 -1.02 1.01 -0.09 -2.23 121.20 117.39 2gbu s ILE 35 Ca -0.03 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2gbu s ILE 35 Cb -0.00 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 2gbu s ILE 35 CO -0.05 0.31 0.10 -1.59 0.00 0.00 0.00 174.94 173.71 2gbu s LYS 36 N 0.33 2.11 0.00 2.79 -2.85 -0.17 0.00 119.74 121.95 2gbu s LYS 36 Ca -0.07 -2.01 0.00 0.00 -1.00 0.00 0.00 55.97 52.89 2gbu s LYS 36 Cb -0.12 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2gbu s LYS 36 CO 0.02 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2gbu n GLY 37 N -1.14 0.49 3.87 0.59 0.00 -1.01 -2.39 105.19 105.60 2gbu n GLY 37 Ca -0.04 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 4.09 0.36 0.99 1.43 -0.58 -4.25 118.68 120.71 2gbu s LEU 38 Ca 0.00 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 2gbu s LEU 38 Cb 0.00 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 2gbu s LEU 38 CO 0.00 -0.16 1.12 0.42 0.23 0.00 0.00 176.35 177.96 2gbu s THR 39 N -1.95 3.40 0.23 5.49 -4.23 -1.26 -3.96 115.64 113.35 2gbu s THR 39 Ca 0.50 1.22 -0.31 0.00 -1.18 0.00 0.00 61.69 61.92 2gbu s THR 39 Cb -0.11 -3.71 -0.14 0.00 1.34 0.00 0.00 72.50 69.88 2gbu s THR 39 CO 0.22 0.16 1.29 1.21 -0.54 0.00 0.00 174.62 176.96 2gbu n GLU 40 N 0.42 1.71 0.00 3.99 2.13 -1.26 -4.61 120.64 123.03 2gbu n GLU 40 Ca 0.03 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2gbu n GLU 40 Cb 0.47 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 1.98 0.26 3.82 8.31 0.00 -0.52 -4.92 105.19 114.12 2gbu n GLY 41 Ca 0.12 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 4.50 -0.04 0.99 1.43 -1.26 -0.49 118.68 123.81 2gbu s LEU 42 Ca 0.00 1.13 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 2gbu s LEU 42 Cb 0.00 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.48 2gbu s LEU 42 CO 0.00 0.30 -0.04 -1.00 0.23 0.00 0.00 176.35 175.83 2gbu s HIS 43 N -1.10 0.69 0.45 0.29 3.76 -0.13 -2.22 115.29 117.02 2gbu s HIS 43 Ca 0.27 -0.18 -0.23 0.00 -0.15 0.00 0.00 55.06 54.77 2gbu s HIS 43 Cb -0.18 -0.62 -0.10 0.00 1.11 0.00 0.00 32.58 32.79 2gbu s HIS 43 CO 0.16 -0.17 0.86 0.41 -0.85 0.00 0.00 174.74 175.15 2gbu n GLY 44 N 3.99 -0.62 2.55 -2.22 0.00 -0.19 -1.14 105.19 107.57 2gbu n GLY 44 Ca -0.25 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.37 0.86 0.06 1.61 5.36 0.99 -0.58 117.98 124.92 2gbu s PHE 45 Ca 0.65 -1.48 0.07 0.00 -0.96 0.00 0.00 56.93 55.20 2gbu s PHE 45 Cb -0.55 -1.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.97 2gbu s PHE 45 CO 0.56 -0.83 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.30 2gbu s HIS 46 N 1.40 1.59 -0.18 10.12 3.76 -0.37 -2.79 115.29 128.82 2gbu s HIS 46 Ca 0.14 -0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 54.49 2gbu s HIS 46 Cb -0.20 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 2gbu s HIS 46 CO -0.15 0.10 0.49 0.08 -0.85 0.00 0.00 174.74 174.40 2gbu s VAL 47 N -0.92 5.14 0.16 -0.90 1.01 -0.57 -0.79 120.40 123.54 2gbu s VAL 47 Ca 0.05 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.99 2gbu s VAL 47 Cb -0.09 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2gbu s VAL 47 CO 0.02 0.22 0.13 -1.00 0.00 0.00 0.00 175.10 174.47 2gbu s HIS 48 N 1.36 3.14 0.29 5.22 3.76 0.59 -1.53 115.29 128.12 2gbu s HIS 48 Ca 0.24 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 2gbu s HIS 48 Cb -0.15 -1.51 0.43 0.00 1.11 0.00 0.00 32.58 32.46 2gbu s HIS 48 CO 0.09 0.52 1.85 1.49 -0.85 0.00 0.00 174.74 177.84 2gbu h GLU 49 N 2.45 0.82 -6.34 1.40 4.81 -0.71 -2.60 114.58 114.41 2gbu h GLU 49 Ca -0.48 -0.15 -0.61 0.00 -0.13 0.00 0.00 59.36 58.00 2gbu h GLU 49 Cb 1.20 -0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.27 2gbu h GLU 49 CO 0.63 0.72 -0.80 -0.06 -0.73 0.00 0.00 179.01 178.77 2gbu s PHE 50 N -5.27 2.14 0.52 0.92 0.08 -1.26 -4.64 117.98 110.47 2gbu s PHE 50 Ca -0.10 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 2gbu s PHE 50 Cb 0.16 -1.05 -0.07 0.00 -0.57 0.00 0.00 43.02 41.50 2gbu s PHE 50 CO 0.79 0.47 1.07 0.20 -0.10 0.00 0.00 175.22 177.66 2gbu s GLY 51 N -2.77 2.49 0.21 4.36 0.00 -1.24 -3.95 107.32 106.42 2gbu s GLY 51 Ca 0.20 0.65 -0.32 0.00 0.00 0.00 0.00 44.72 45.25 2gbu s GLY 51 CO 0.09 0.98 1.40 1.22 0.00 0.00 0.00 173.10 176.79 2gbu n ASP 52 N -1.26 2.56 -0.67 1.64 9.92 -1.26 -4.91 116.55 122.56 2gbu n ASP 52 Ca 0.10 1.13 0.06 0.00 -0.53 0.00 0.00 54.79 55.55 2gbu n ASP 52 Cb 0.52 -1.39 0.16 0.00 -0.64 0.00 0.00 41.12 39.77 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 2.35 2.98 -4.12 -2.24 2.04 -1.26 -5.00 115.26 110.01 2gbu n ASN 53 Ca 0.13 -2.02 -0.10 0.00 -0.44 0.00 0.00 54.58 52.16 2gbu n ASN 53 Cb 0.29 -0.25 -0.10 0.00 -2.53 0.00 0.00 39.78 37.20 2gbu n ASN 53 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 2gbu s THR 54 N -1.03 0.49 0.25 5.53 -4.23 -1.26 -5.14 115.64 110.25 2gbu s THR 54 Ca 0.24 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.73 2gbu s THR 54 Cb 0.13 -1.42 -0.09 0.00 1.34 0.00 0.00 72.50 72.46 2gbu s THR 54 CO 0.16 -0.83 1.14 0.00 -0.54 0.00 0.00 174.62 174.55 2gbu s ALA 55 N -3.32 3.42 -1.47 3.99 0.00 -1.26 -3.92 121.76 119.21 2gbu s ALA 55 Ca 0.06 0.93 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 2gbu s ALA 55 Cb 0.03 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.85 2gbu s ALA 55 CO -0.06 -0.25 0.84 0.41 0.00 0.00 0.00 175.76 176.70 2gbu n GLY 56 N 1.49 -0.41 3.76 0.00 0.00 -1.26 -4.91 105.19 103.86 2gbu n GLY 56 Ca 0.01 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2gbu n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbu s ALA 57 N -3.47 3.66 -0.15 4.61 0.00 -1.25 -4.93 121.76 120.23 2gbu s ALA 57 Ca 0.42 1.57 0.16 0.00 0.00 0.00 0.00 51.96 54.11 2gbu s ALA 57 Cb -0.21 -3.63 -0.23 0.00 0.00 0.00 0.00 23.12 19.05 2gbu s ALA 57 CO 0.84 -1.02 0.13 0.25 0.00 0.00 0.00 175.76 175.96 2gbu n THR 58 N 1.34 0.98 -2.59 0.00 -2.24 -1.26 -4.98 114.28 105.53 2gbu n THR 58 Ca 0.05 -0.69 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 2gbu n THR 58 Cb 0.38 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 2gbu n THR 58 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2gbu s SER 59 N -4.98 7.14 0.20 3.42 0.15 -1.26 -4.47 113.70 113.90 2gbu s SER 59 Ca -0.08 2.07 0.05 0.00 0.70 0.00 0.00 55.95 58.68 2gbu s SER 59 Cb 0.06 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.89 2gbu s SER 59 CO 0.73 -0.22 1.46 0.00 1.20 0.00 0.00 173.24 176.41 2gbu h ALA 60 N 3.26 0.68 0.00 5.45 0.00 -1.94 -3.49 119.26 123.21 2gbu h ALA 60 Ca -0.47 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2gbu h ALA 60 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2gbu h ALA 60 CO 0.65 0.87 0.00 0.41 0.00 0.00 0.00 179.25 181.18 2gbu n GLY 61 N 0.63 -1.67 3.69 0.00 0.00 -1.26 -4.83 105.19 101.75 2gbu n GLY 61 Ca -0.03 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.90 1.67 -1.63 1.61 -0.02 -1.26 -4.79 135.00 128.68 2gbu n PRO 62 Ca 0.00 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 2gbu n PRO 62 Cb 0.00 -2.36 0.08 0.00 -0.02 0.00 0.00 33.50 31.20 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 -1.27 2.11 -0.58 6.00 3.76 -1.26 -0.16 115.29 123.88 2gbu s HIS 63 Ca 0.66 1.55 -0.28 0.00 -0.15 0.00 0.00 55.06 56.84 2gbu s HIS 63 Cb -0.48 -3.55 0.02 0.00 1.11 0.00 0.00 32.58 29.68 2gbu s HIS 63 CO 0.54 -2.66 1.38 0.12 -0.85 0.00 0.00 174.74 173.28 2gbu s PHE 64 N -1.72 2.31 -0.40 1.40 5.36 -0.58 -4.11 117.98 120.24 2gbu s PHE 64 Ca 0.78 0.42 0.10 0.00 -0.96 0.00 0.00 56.93 57.27 2gbu s PHE 64 Cb -0.32 -4.42 0.32 0.00 -0.34 0.00 0.00 43.02 38.26 2gbu s PHE 64 CO 0.41 -1.94 0.82 -1.71 -1.46 0.00 0.00 175.22 171.35 2gbu n ASN 65 N 9.48 -0.32 0.24 6.13 5.15 -1.26 -1.69 115.26 132.99 2gbu n ASN 65 Ca 0.11 -3.18 0.10 0.00 -0.60 0.00 0.00 54.58 51.01 2gbu n ASN 65 Cb 0.49 0.21 0.62 0.00 -0.53 0.00 0.00 39.78 40.58 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 3.16 0.00 -0.07 1.20 0.13 -1.98 -2.18 132.00 132.27 2gbu h PRO 66 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2gbu h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2gbu h PRO 66 CO 0.38 0.17 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 2gbu n LEU 67 N -3.79 1.34 -3.70 1.56 4.77 -1.26 -4.96 117.00 110.96 2gbu n LEU 67 Ca -0.02 -0.50 -0.22 0.00 -0.03 0.00 0.00 56.01 55.24 2gbu n LEU 67 Cb 0.27 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2gbu n LEU 67 CO 0.32 0.25 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.42 2gbu n SER 68 N 0.07 -1.95 -4.95 -1.43 7.64 -0.82 -5.00 113.62 107.17 2gbu n SER 68 Ca 0.18 -0.78 -0.22 0.00 1.01 0.00 0.00 58.87 59.06 2gbu n SER 68 Cb 0.31 -4.19 0.04 0.00 -1.01 0.00 0.00 64.21 59.35 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 -6.01 2.46 0.53 1.43 1.81 -1.26 -5.09 118.95 112.82 2gbu s ARG 69 Ca 0.12 -0.75 -0.15 0.00 -1.72 0.00 0.00 55.73 53.23 2gbu s ARG 69 Cb -0.06 -2.45 -0.07 0.00 -0.45 0.00 0.00 34.95 31.93 2gbu s ARG 69 CO 0.80 -0.80 0.98 0.15 -0.68 0.00 0.00 175.30 175.74 2gbu s LYS 70 N -4.83 3.85 0.24 3.54 1.02 -1.26 -4.71 119.74 117.59 2gbu s LYS 70 Ca 0.58 0.86 -0.30 0.00 0.02 0.00 0.00 55.97 57.13 2gbu s LYS 70 Cb -0.10 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 34.97 2gbu s LYS 70 CO 0.39 -0.32 1.40 -1.58 -0.92 0.00 0.00 175.35 174.32 2gbu s HIS 71 N -2.74 3.07 0.01 3.18 5.65 -0.47 -3.09 115.29 120.89 2gbu s HIS 71 Ca 0.57 1.10 0.00 0.00 0.25 0.00 0.00 55.06 56.99 2gbu s HIS 71 Cb -0.10 -3.76 -0.00 0.00 -1.18 0.00 0.00 32.58 27.54 2gbu s HIS 71 CO 0.37 -2.42 0.01 0.41 -0.65 0.00 0.00 174.74 172.46 2gbu n GLY 72 N 2.11 3.51 3.91 1.59 0.00 -1.25 -4.25 105.19 110.81 2gbu n GLY 72 Ca 0.06 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.04 1.63 0.41 -0.02 0.00 -1.21 -4.69 107.32 102.40 2gbu s GLY 73 Ca 0.01 -0.70 0.29 0.00 0.00 0.00 0.00 44.72 44.31 2gbu s GLY 73 CO 0.00 -0.28 1.85 -0.56 0.00 0.00 0.00 173.10 174.12 2gbu h PRO 74 N -0.77 0.00 0.00 2.90 0.13 -1.88 -2.74 132.00 129.65 2gbu h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gbu h PRO 74 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2gbu h PRO 74 CO 0.63 0.00 -0.29 0.87 -0.23 0.00 0.00 178.00 178.98 2gbu h LYS 75 N 0.00 0.00 -6.80 0.86 1.57 -1.94 -3.47 116.57 106.79 2gbu h LYS 75 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2gbu h LYS 75 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2gbu h LYS 75 CO 0.00 0.00 0.25 -0.51 -0.57 0.00 0.00 179.45 178.62 2gbu s ASP 76 N -4.81 7.16 0.19 0.86 1.01 -1.03 -4.97 116.67 115.07 2gbu s ASP 76 Ca 0.08 1.65 -0.04 0.00 0.71 0.00 0.00 52.55 54.94 2gbu s ASP 76 Cb 0.11 -2.51 0.11 0.00 1.01 0.00 0.00 42.92 41.64 2gbu s ASP 76 CO 0.67 -0.09 1.52 -0.08 0.21 0.00 0.00 175.17 177.40 2gbu h GLU 77 N 3.00 0.65 -5.66 8.23 4.81 -1.91 -3.38 114.58 120.31 2gbu h GLU 77 Ca -0.47 -0.37 -0.62 0.00 -0.13 0.00 0.00 59.36 57.77 2gbu h GLU 77 Cb 1.19 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 2gbu h GLU 77 CO 0.65 0.98 0.55 -2.00 -0.73 0.00 0.00 179.01 178.46 2gbu s GLU 78 N -4.16 3.22 0.10 1.92 2.56 -1.26 -4.96 118.70 116.12 2gbu s GLU 78 Ca -0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 54.97 54.09 2gbu s GLU 78 Cb 0.12 -4.14 0.08 0.00 2.00 0.00 0.00 34.13 32.18 2gbu s GLU 78 CO 0.85 -1.65 0.79 -0.98 -0.56 0.00 0.00 175.26 173.70 2gbu s ARG 79 N 4.03 1.12 0.60 4.30 1.70 -1.18 -3.83 118.95 125.68 2gbu s ARG 79 Ca 0.26 -0.48 -0.15 0.00 -0.47 0.00 0.00 55.73 54.89 2gbu s ARG 79 Cb -0.15 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 2gbu s ARG 79 CO 0.15 -0.50 1.04 -1.01 -1.08 0.00 0.00 175.30 173.90 2gbu s HIS 80 N -3.43 3.13 0.32 5.89 3.76 -1.24 -4.61 115.29 119.11 2gbu s HIS 80 Ca 0.05 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.47 2gbu s HIS 80 Cb -0.02 -2.93 0.62 0.00 1.11 0.00 0.00 32.58 31.36 2gbu s HIS 80 CO -0.07 -0.98 1.91 0.28 -0.85 0.00 0.00 174.74 175.03 2gbu h VAL 81 N 0.29 1.01 -0.16 -0.90 2.07 -1.84 -2.52 116.25 114.20 2gbu h VAL 81 Ca -0.46 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2gbu h VAL 81 Cb 1.21 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2gbu h VAL 81 CO 0.58 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.95 2gbu n GLY 82 N -1.41 -0.14 3.55 2.17 0.00 -0.68 -4.26 105.19 104.42 2gbu n GLY 82 Ca 0.14 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.19 6.67 0.00 1.61 1.01 -0.95 -1.51 116.67 122.31 2gbu s ASP 83 Ca 0.19 -1.95 0.21 0.00 0.71 0.00 0.00 52.55 51.71 2gbu s ASP 83 Cb 0.10 -2.55 0.53 0.00 1.01 0.00 0.00 42.92 42.00 2gbu s ASP 83 CO 0.14 -1.31 1.44 0.18 0.21 0.00 0.00 175.17 175.83 2gbu n LEU 84 N 8.37 2.93 0.00 1.23 4.77 -1.12 -3.57 117.00 129.61 2gbu n LEU 84 Ca 0.39 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2gbu n LEU 84 Cb 0.49 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2gbu n LEU 84 CO 0.69 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 2gbu n GLY 85 N 1.40 0.80 3.18 -0.72 0.00 -1.17 -4.80 105.19 103.87 2gbu n GLY 85 Ca 0.19 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 2.11 0.12 1.61 0.01 -1.26 -0.01 114.94 113.52 2gbu s ASN 86 Ca 0.00 -0.33 -0.02 0.00 -0.71 0.00 0.00 52.86 51.80 2gbu s ASN 86 Cb 0.00 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 2gbu s ASN 86 CO 0.00 0.22 0.31 0.68 -1.51 0.00 0.00 177.10 176.80 2gbu s VAL 87 N -0.43 5.27 -0.20 1.60 -7.23 -0.29 -4.89 120.40 114.21 2gbu s VAL 87 Ca 0.07 -0.24 -0.03 0.00 -1.81 0.00 0.00 61.98 59.98 2gbu s VAL 87 Cb -0.07 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.21 2gbu s VAL 87 CO -0.01 0.03 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.84 2gbu s THR 88 N -1.64 3.10 -0.07 5.32 2.01 -1.26 -0.96 115.64 122.13 2gbu s THR 88 Ca 0.38 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 2gbu s THR 88 Cb -0.12 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2gbu s THR 88 CO 0.27 0.46 0.40 0.00 -0.69 0.00 0.00 174.62 175.06 2gbu s ALA 89 N 1.33 3.61 1.04 7.40 0.00 0.36 -4.21 121.76 131.28 2gbu s ALA 89 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.64 2gbu s ALA 89 Cb -0.14 -2.46 0.13 0.00 0.00 0.00 0.00 23.12 20.65 2gbu s ALA 89 CO -0.04 0.26 0.67 -0.40 0.00 0.00 0.00 175.76 176.24 2gbu n ASP 90 N 2.75 -0.45 0.29 0.00 5.68 -0.05 -1.44 116.55 123.32 2gbu n ASP 90 Ca -0.11 -1.13 0.17 0.00 -0.50 0.00 0.00 54.79 53.22 2gbu n ASP 90 Cb 0.52 -0.54 0.81 0.00 -1.14 0.00 0.00 41.12 40.78 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 -1.97 -0.70 116.57 116.11 2gbu h LYS 91 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2gbu h LYS 91 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2gbu h LYS 91 CO 0.16 0.04 -0.23 -0.25 -2.00 0.00 0.00 179.45 177.17 2gbu n ASP 92 N -3.20 0.46 0.00 7.07 8.00 -1.26 -4.84 116.55 122.79 2gbu n ASP 92 Ca -0.01 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.19 2gbu n ASP 92 Cb 0.24 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.40 0.65 3.74 0.44 0.00 -0.27 -4.73 105.19 106.41 2gbu n GLY 93 Ca 0.10 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 5.22 -0.26 1.61 1.01 -1.26 -1.53 120.40 123.19 2gbu s VAL 94 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2gbu s VAL 94 Cb 0.00 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 33.11 2gbu s VAL 94 CO 0.00 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.53 2gbu s ALA 95 N -0.04 2.31 -0.20 5.51 0.00 0.10 -0.87 121.76 128.56 2gbu s ALA 95 Ca 0.09 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.17 2gbu s ALA 95 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2gbu s ALA 95 CO 0.00 -1.25 0.69 -0.51 0.00 0.00 0.00 175.76 174.69 2gbu s ASP 96 N 1.22 6.74 -0.19 0.00 1.01 -1.26 -0.92 116.67 123.28 2gbu s ASP 96 Ca -0.05 0.90 -0.09 0.00 0.71 0.00 0.00 52.55 54.02 2gbu s ASP 96 Cb -0.19 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2gbu s ASP 96 CO -0.06 -0.34 0.12 -0.69 0.21 0.00 0.00 175.17 174.41 2gbu s VAL 97 N 2.14 5.30 -0.41 -1.27 1.01 -0.23 -4.88 120.40 122.06 2gbu s VAL 97 Ca 0.31 0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2gbu s VAL 97 Cb -0.16 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 32.99 2gbu s VAL 97 CO 0.10 0.46 0.50 -0.55 0.00 0.00 0.00 175.10 175.62 2gbu s SER 98 N 0.20 0.06 0.40 3.32 0.15 -1.25 -1.85 113.70 114.73 2gbu s SER 98 Ca 0.08 -1.62 0.05 0.00 0.70 0.00 0.00 55.95 55.15 2gbu s SER 98 Cb -0.11 1.02 -0.06 0.00 -1.71 0.00 0.00 66.02 65.16 2gbu s SER 98 CO -0.01 -0.19 0.04 0.27 1.20 0.00 0.00 173.24 174.55 2gbu s ILE 99 N 1.24 1.42 -0.03 6.45 -4.36 0.40 -5.00 121.20 121.32 2gbu s ILE 99 Ca 0.21 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.61 2gbu s ILE 99 Cb -0.07 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2gbu s ILE 99 CO -0.06 0.00 -0.04 -0.70 0.24 0.00 0.00 174.94 174.38 2gbu s GLU 100 N -3.80 0.59 -0.02 0.37 2.12 -1.26 -0.98 118.70 115.72 2gbu s GLU 100 Ca 0.30 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.56 2gbu s GLU 100 Cb 0.07 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.84 2gbu s GLU 100 CO 0.14 -0.03 -0.08 0.34 -0.54 0.00 0.00 175.26 175.09 2gbu s ASP 101 N 0.61 1.08 0.00 -1.70 2.15 -0.51 -4.95 116.67 113.34 2gbu s ASP 101 Ca -0.07 -0.17 0.16 0.00 0.43 0.00 0.00 52.55 52.90 2gbu s ASP 101 Cb -0.11 -0.22 0.42 0.00 -0.30 0.00 0.00 42.92 42.72 2gbu s ASP 101 CO -0.00 0.08 1.34 -1.20 -0.17 0.00 0.00 175.17 175.22 2gbu n SER 102 N 3.11 3.27 -0.10 -0.34 7.64 -1.26 0.35 113.62 126.29 2gbu n SER 102 Ca -0.16 -1.97 -0.17 0.00 1.01 0.00 0.00 58.87 57.57 2gbu n SER 102 Cb 0.55 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.99 1.16 -1.15 0.44 0.31 -1.26 -4.92 118.33 113.89 2gbu n VAL 103 Ca 0.16 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.80 2gbu n VAL 103 Cb 0.50 -1.44 0.11 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.40 3.08 0.10 2.52 -4.36 -1.26 -4.97 121.20 113.91 2gbu s ILE 104 Ca -0.28 0.35 -0.07 0.00 -0.26 0.00 0.00 60.65 60.39 2gbu s ILE 104 Cb 0.09 -2.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 2gbu s ILE 104 CO 0.43 -0.46 0.17 -0.55 0.24 0.00 0.00 174.94 174.76 2gbu s SER 105 N -3.25 0.17 0.00 4.36 0.15 -1.20 -4.65 113.70 109.28 2gbu s SER 105 Ca 0.62 -0.78 0.21 0.00 0.70 0.00 0.00 55.95 56.70 2gbu s SER 105 Cb -0.18 0.33 0.29 0.00 -1.71 0.00 0.00 66.02 64.75 2gbu s SER 105 CO 0.56 -0.74 1.26 0.18 1.20 0.00 0.00 173.24 175.71 2gbu n LEU 106 N -0.06 3.05 -3.95 3.45 4.77 -1.26 -1.25 117.00 121.75 2gbu n LEU 106 Ca -0.13 -1.31 -0.09 0.00 -0.03 0.00 0.00 56.01 54.45 2gbu n LEU 106 Cb 0.62 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2gbu n LEU 106 CO 0.24 0.61 -0.08 -0.94 -1.33 0.00 0.00 177.39 175.89 2gbu s SER 107 N -1.51 0.11 0.00 -1.43 1.04 -1.26 -4.74 113.70 105.90 2gbu s SER 107 Ca 0.30 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2gbu s SER 107 Cb 0.19 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2gbu s SER 107 CO 0.27 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2gbu n GLY 108 N -0.14 -2.01 0.35 7.32 0.00 -1.26 -3.48 105.19 105.97 2gbu n GLY 108 Ca -0.10 -1.46 0.06 0.00 0.00 0.00 0.00 46.02 44.53 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 0.87 -0.44 1.61 3.32 -2.00 -1.92 116.42 117.86 2gbu h ASP 109 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2gbu h ASP 109 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2gbu h ASP 109 CO 0.00 0.46 0.00 1.41 -1.72 0.00 0.00 179.24 179.39 2gbu n HIS 110 N -4.65 1.00 -1.65 4.55 8.25 -1.26 -4.97 115.22 116.49 2gbu n HIS 110 Ca 0.18 -0.40 -0.47 0.00 -0.26 0.00 0.00 57.72 56.78 2gbu n HIS 110 Cb 0.35 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 0.69 0.65 0.15 -1.41 0.00 -0.72 -3.26 120.51 116.61 2gbu n ALA 111 Ca 0.17 0.44 0.10 0.00 0.00 0.00 0.00 53.44 54.15 2gbu n ALA 111 Cb 0.63 -2.23 0.20 0.00 0.00 0.00 0.00 19.45 18.05 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 2.34 0.60 -1.99 0.00 -5.35 -0.38 -4.90 119.36 109.67 2gbu n ILE 112 Ca 0.14 -0.80 -0.42 0.00 -0.27 0.00 0.00 62.75 61.41 2gbu n ILE 112 Cb 0.28 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.02 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 -1.27 2.72 0.00 7.28 -1.09 -1.26 -1.93 121.20 125.64 2gbu s ILE 113 Ca 0.34 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 2gbu s ILE 113 Cb 0.20 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2gbu s ILE 113 CO 0.27 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 2gbu n GLY 114 N 3.24 1.10 4.00 6.18 0.00 0.74 -4.98 105.19 115.47 2gbu n GLY 114 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 2.53 -0.20 1.61 0.52 -0.81 -3.71 118.95 118.64 2gbu s ARG 115 Ca 0.00 -1.50 -0.04 0.00 -0.52 0.00 0.00 55.73 53.66 2gbu s ARG 115 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 2gbu s ARG 115 CO 0.00 -0.55 -0.03 0.99 0.02 0.00 0.00 175.30 175.73 2gbu s THR 116 N -2.53 3.70 -0.02 0.02 2.01 -0.98 0.02 115.64 117.86 2gbu s THR 116 Ca 0.56 -0.40 -0.24 0.00 0.31 0.00 0.00 61.69 61.92 2gbu s THR 116 Cb -0.07 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 2gbu s THR 116 CO 0.34 0.44 0.73 -0.22 -0.69 0.00 0.00 174.62 175.22 2gbu s LEU 117 N 1.05 4.37 -0.06 4.42 2.96 -0.00 -0.30 118.68 131.12 2gbu s LEU 117 Ca 0.01 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2gbu s LEU 117 Cb -0.15 -3.15 0.02 0.00 0.50 0.00 0.00 46.19 43.41 2gbu s LEU 117 CO 0.01 -0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.21 2gbu s VAL 118 N 0.46 0.75 -0.15 1.68 1.01 0.03 -1.66 120.40 122.52 2gbu s VAL 118 Ca 0.38 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 2gbu s VAL 118 Cb -0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 2gbu s VAL 118 CO 0.20 0.28 0.18 0.54 0.00 0.00 0.00 175.10 176.30 2gbu s VAL 119 N 0.94 5.41 0.34 2.92 0.11 -0.96 -1.24 120.40 127.91 2gbu s VAL 119 Ca -0.10 0.29 0.07 0.00 -2.93 0.00 0.00 61.98 59.31 2gbu s VAL 119 Cb -0.15 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2gbu s VAL 119 CO 0.00 0.51 0.32 -1.00 -3.33 0.00 0.00 175.10 171.60 2gbu s HIS 120 N -0.22 2.92 0.11 1.54 3.76 0.26 -1.63 115.29 122.04 2gbu s HIS 120 Ca 0.13 -0.30 -0.20 0.00 -0.15 0.00 0.00 55.06 54.54 2gbu s HIS 120 Cb -0.12 -1.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 2gbu s HIS 120 CO 0.02 0.16 1.75 1.49 -0.85 0.00 0.00 174.74 177.30 2gbu h GLU 121 N 1.20 0.22 -5.89 1.40 4.81 -0.04 -3.37 114.58 112.91 2gbu h GLU 121 Ca -0.45 -0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.15 2gbu h GLU 121 Cb 1.25 -0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.46 2gbu h GLU 121 CO 0.58 0.17 -0.65 0.15 -0.73 0.00 0.00 179.01 178.53 2gbu s LYS 122 N -6.08 1.89 0.30 1.92 1.02 0.13 -4.90 119.74 114.02 2gbu s LYS 122 Ca -0.13 -1.95 -0.29 0.00 0.02 0.00 0.00 55.97 53.61 2gbu s LYS 122 Cb 0.08 -1.72 -0.11 0.00 -0.52 0.00 0.00 37.83 35.56 2gbu s LYS 122 CO 0.69 0.09 1.50 0.00 -0.92 0.00 0.00 175.35 176.71 2gbu s ALA 123 N -2.62 3.65 -0.14 5.17 0.00 -0.94 -1.02 121.76 125.85 2gbu s ALA 123 Ca 0.33 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 2gbu s ALA 123 Cb 0.04 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2gbu s ALA 123 CO 0.17 -0.90 1.31 0.34 0.00 0.00 0.00 175.76 176.68 2gbu s ASP 124 N 0.20 6.92 0.00 0.00 -1.08 -1.26 -4.04 116.67 117.40 2gbu s ASP 124 Ca 0.58 1.77 0.20 0.00 -0.52 0.00 0.00 52.55 54.58 2gbu s ASP 124 Cb -0.45 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 39.68 2gbu s ASP 124 CO 0.51 -0.77 1.70 -0.90 0.52 0.00 0.00 175.17 176.22 2gbu n ASP 125 N 6.58 0.00 -1.99 -0.34 5.68 0.63 -4.90 116.55 122.21 2gbu n ASP 125 Ca 0.14 -1.13 -0.19 0.00 -0.50 0.00 0.00 54.79 53.11 2gbu n ASP 125 Cb 0.45 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.86 -1.74 0.00 -2.12 4.77 -1.26 -1.87 117.00 113.91 2gbu n LEU 126 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2gbu n LEU 126 Cb 0.07 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 2gbu n LEU 126 CO 0.11 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 2gbu n GLY 127 N -0.91 0.69 1.37 -0.72 0.00 -1.25 -3.32 105.19 101.05 2gbu n GLY 127 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.62 2.36 0.02 1.61 4.01 -0.78 -4.63 118.16 118.12 2gbu n LYS 128 Ca 0.00 -3.52 0.11 0.00 -0.51 0.00 0.00 58.31 54.39 2gbu n LYS 128 Cb 0.00 -1.94 0.04 0.00 -0.51 0.00 0.00 35.03 32.62 2gbu n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2gbu n GLY 129 N -0.99 -1.18 1.67 0.72 0.00 -1.26 -5.00 105.19 99.16 2gbu n GLY 129 Ca 0.35 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.42 0.57 3.30 -0.02 0.00 -1.26 -5.01 105.19 104.19 2gbu n GLY 130 Ca 0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.83 0.41 0.24 1.61 2.20 -1.26 -5.06 114.94 110.25 2gbu s ASN 131 Ca 0.00 -1.38 -0.06 0.00 -0.94 0.00 0.00 52.86 50.48 2gbu s ASN 131 Cb 0.00 0.47 0.24 0.00 -2.00 0.00 0.00 41.25 39.96 2gbu s ASN 131 CO 0.00 -0.96 1.89 -0.33 -2.94 0.00 0.00 177.10 174.76 2gbu h GLU 132 N 2.44 1.29 0.00 3.55 5.08 -2.01 -2.50 114.58 122.42 2gbu h GLU 132 Ca -0.32 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 2gbu h GLU 132 Cb 1.25 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2gbu h GLU 132 CO 0.46 0.90 -0.19 1.49 -1.00 0.00 0.00 179.01 180.67 2gbu h GLU 133 N 1.31 0.00 -0.93 2.33 4.57 -2.00 -2.69 114.58 117.16 2gbu h GLU 133 Ca 0.34 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.51 2gbu h GLU 133 Cb -0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 2gbu h GLU 133 CO -0.06 0.19 0.55 1.03 -1.18 0.00 0.00 179.01 179.53 2gbu h SER 134 N 0.00 1.13 -0.02 1.04 0.87 -1.80 -1.51 113.55 113.26 2gbu h SER 134 Ca -0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2gbu h SER 134 Cb 0.43 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2gbu h SER 134 CO 0.02 0.88 0.00 0.35 -0.53 0.00 0.00 176.83 177.55 2gbu n THR 135 N -4.35 0.02 -0.08 2.23 -2.24 -1.02 -2.23 114.28 106.62 2gbu n THR 135 Ca 0.10 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.65 2gbu n THR 135 Cb 0.07 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.65 0.37 0.00 -0.78 5.02 -0.88 -1.37 118.16 119.86 2gbu n LYS 136 Ca 0.18 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2gbu n LYS 136 Cb 0.14 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -3.62 0.00 -1.03 -0.18 -2.24 -0.62 -4.70 114.28 101.90 2gbu n THR 137 Ca -0.33 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 2gbu n THR 137 Cb 0.75 1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 70.25 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 0.17 0.46 2.77 3.38 0.00 -0.95 -3.42 105.19 107.59 2gbu n GLY 138 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 0.05 -4.56 0.14 1.61 3.02 -1.26 -0.27 115.26 113.99 2gbu n ASN 139 Ca -0.01 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.60 2gbu n ASN 139 Cb 0.12 -3.80 0.49 0.00 -0.61 0.00 0.00 39.78 35.99 2gbu n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbu h ALA 140 N 0.99 1.00 -0.23 5.41 0.00 -1.69 -3.44 119.26 121.30 2gbu h ALA 140 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2gbu h ALA 140 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gbu h ALA 140 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2gbu n GLY 141 N 0.21 -0.20 3.82 0.00 0.00 -1.26 0.19 105.19 107.94 2gbu n GLY 141 Ca 0.03 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 5.70 -0.13 1.61 1.04 -1.26 -4.55 113.70 112.10 2gbu s SER 142 Ca 0.00 1.69 -0.29 0.00 0.48 0.00 0.00 55.95 57.82 2gbu s SER 142 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 2gbu s SER 142 CO 0.00 -1.23 1.35 -0.60 0.98 0.00 0.00 173.24 173.74 2gbu s ARG 143 N -4.56 4.23 -0.09 4.02 3.52 -1.26 0.29 118.95 125.09 2gbu s ARG 143 Ca 0.60 1.79 0.06 0.00 -0.13 0.00 0.00 55.73 58.05 2gbu s ARG 143 Cb -0.14 -3.80 -0.24 0.00 -1.56 0.00 0.00 34.95 29.20 2gbu s ARG 143 CO 0.45 -0.73 0.49 1.28 -0.81 0.00 0.00 175.30 175.99 2gbu n LEU 144 N 6.66 1.51 -3.51 -0.88 4.77 -0.65 -4.89 117.00 120.00 2gbu n LEU 144 Ca 0.15 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 56.26 2gbu n LEU 144 Cb 0.44 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2gbu n LEU 144 CO 0.57 0.58 0.41 0.00 -1.33 0.00 0.00 177.39 177.62 2gbu s ALA 145 N -2.57 -1.69 0.12 -1.18 0.00 -1.20 -4.38 121.76 110.86 2gbu s ALA 145 Ca -0.12 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 2gbu s ALA 145 Cb 0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2gbu s ALA 145 CO 0.80 -0.44 0.34 0.00 0.00 0.00 0.00 175.76 176.46 2gbu s ALA 146 N -1.69 -0.65 -0.14 0.00 0.00 0.17 -2.26 121.76 117.17 2gbu s ALA 146 Ca -0.09 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 2gbu s ALA 146 Cb -0.00 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.82 2gbu s ALA 146 CO 0.05 -0.62 0.47 0.20 0.00 0.00 0.00 175.76 175.86 2gbu s GLY 147 N -2.84 -0.34 0.24 0.00 0.00 -0.66 -1.16 107.32 102.55 2gbu s GLY 147 Ca 0.05 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 2gbu s GLY 147 CO -0.10 0.99 1.27 0.14 0.00 0.00 0.00 173.10 175.40 2gbu s VAL 148 N -0.08 3.16 -0.39 1.40 1.01 -1.26 -0.82 120.40 123.42 2gbu s VAL 148 Ca -0.03 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 2gbu s VAL 148 Cb -0.03 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2gbu s VAL 148 CO 0.02 0.18 1.07 -0.63 0.00 0.00 0.00 175.10 175.75 2gbu s ILE 149 N -0.32 4.40 0.30 2.22 1.01 0.10 -4.49 121.20 124.42 2gbu s ILE 149 Ca 0.53 1.44 0.10 0.00 0.00 0.00 0.00 60.65 62.72 2gbu s ILE 149 Cb -0.36 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.58 2gbu s ILE 149 CO 0.42 -0.70 -0.09 -0.83 0.00 0.00 0.00 174.94 173.74 2gbu s GLY 150 N 2.01 1.90 0.33 6.18 0.00 0.26 -0.19 107.32 117.82 2gbu s GLY 150 Ca 0.45 -1.86 -0.28 0.00 0.00 0.00 0.00 44.72 43.03 2gbu s GLY 150 CO 0.22 -1.89 1.20 -0.42 0.00 0.00 0.00 173.10 172.21 2gbu s ILE 151 N -2.47 3.09 0.13 0.90 1.01 -1.26 -0.12 121.20 122.48 2gbu s ILE 151 Ca 0.32 1.05 0.11 0.00 0.00 0.00 0.00 60.65 62.12 2gbu s ILE 151 Cb -0.03 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2gbu s ILE 151 CO 0.17 0.21 -0.25 0.00 0.00 0.00 0.00 174.94 175.08 2gbu s ALA 152 N -1.22 2.45 -2.09 9.38 0.00 -0.91 -4.73 121.76 124.63 2gbu s ALA 152 Ca 0.49 -1.45 0.31 0.00 0.00 0.00 0.00 51.96 51.31 2gbu s ALA 152 Cb -0.35 -0.43 1.76 0.00 0.00 0.00 0.00 23.12 24.10 2gbu s ALA 152 CO 0.45 0.55 2.14 0.94 0.00 0.00 0.00 175.76 179.84