#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbu s ILE 4 N 0.00 1.96 -0.01 -0.08 1.01 -1.01 0.37 121.20 123.43 3gbu s ILE 4 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.81 3gbu s ILE 4 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3gbu s ILE 4 CO 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.30 3gbu s ALA 5 N 1.09 2.61 -0.01 9.38 0.00 -0.74 -1.13 121.76 132.96 3gbu s ALA 5 Ca -0.01 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.95 3gbu s ALA 5 Cb -0.14 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3gbu s ALA 5 CO -0.07 0.56 -0.25 -1.12 0.00 0.00 0.00 175.76 174.88 3gbu s SER 6 N -1.03 3.17 -0.08 0.00 0.01 0.33 -0.30 113.70 115.80 3gbu s SER 6 Ca 0.13 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.94 3gbu s SER 6 Cb -0.11 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.76 3gbu s SER 6 CO 0.03 0.31 -0.07 -0.51 0.41 0.00 0.00 173.24 173.41 3gbu s ILE 7 N -0.65 0.82 -5.00 1.44 2.07 0.39 -0.02 121.20 120.25 3gbu s ILE 7 Ca 0.10 -0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3gbu s ILE 7 Cb -0.10 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.65 3gbu s ILE 7 CO -0.00 0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.95 3gbu n GLY 8 N 4.45 -0.46 3.77 1.50 0.00 -0.92 -3.45 105.19 110.09 3gbu n GLY 8 Ca -0.17 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 3gbu n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gbu s GLU 9 N -2.00 4.22 -0.06 1.61 1.03 -1.26 -4.54 118.70 117.70 3gbu s GLU 9 Ca 0.00 2.41 -0.02 0.00 0.03 0.00 0.00 54.97 57.39 3gbu s GLU 9 Cb 0.00 -3.03 0.04 0.00 -0.80 0.00 0.00 34.13 30.34 3gbu s GLU 9 CO 0.00 -0.40 0.11 -1.17 -1.33 0.00 0.00 175.26 172.47 3gbu s LEU 10 N -1.67 0.22 0.34 1.83 2.96 -1.26 -4.01 118.68 117.09 3gbu s LEU 10 Ca 0.53 0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 54.53 3gbu s LEU 10 Cb -0.44 0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.37 3gbu s LEU 10 CO 0.56 -0.22 0.63 -1.48 -1.32 0.00 0.00 176.35 174.52 3gbu s LEU 11 N 1.99 0.35 -0.25 -0.68 0.05 -0.63 -4.33 118.68 115.19 3gbu s LEU 11 Ca 0.01 -1.17 -0.13 0.00 0.05 0.00 0.00 54.13 52.90 3gbu s LEU 11 Cb -0.12 2.23 -0.04 0.00 -2.05 0.00 0.00 46.19 46.20 3gbu s LEU 11 CO -0.04 -1.45 0.26 -0.63 -0.55 0.00 0.00 176.35 173.94 3gbu s ILE 12 N -2.97 5.27 -0.20 1.48 -1.09 0.13 -0.25 121.20 123.58 3gbu s ILE 12 Ca 0.21 0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 58.84 3gbu s ILE 12 Cb -0.03 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3gbu s ILE 12 CO 0.13 0.27 0.44 -1.81 -1.23 0.00 0.00 174.94 172.74 3gbu s ASP 13 N 1.31 6.48 -0.55 3.58 1.01 0.14 -1.04 116.67 127.60 3gbu s ASP 13 Ca 0.12 0.56 -0.11 0.00 0.71 0.00 0.00 52.55 53.83 3gbu s ASP 13 Cb -0.15 -2.25 0.14 0.00 1.01 0.00 0.00 42.92 41.67 3gbu s ASP 13 CO 0.08 -0.11 0.45 -0.76 0.21 0.00 0.00 175.17 175.03 3gbu s LEU 14 N 1.41 5.91 -0.24 1.23 1.43 0.86 -1.54 118.68 127.74 3gbu s LEU 14 Ca 0.21 -2.08 -0.21 0.00 -1.03 0.00 0.00 54.13 51.01 3gbu s LEU 14 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3gbu s LEU 14 CO 0.09 -0.68 0.67 -0.63 0.23 0.00 0.00 176.35 176.03 3gbu s ILE 15 N 1.11 4.96 0.05 -0.59 1.01 -0.22 -0.50 121.20 127.03 3gbu s ILE 15 Ca 0.08 1.24 -0.33 0.00 0.00 0.00 0.00 60.65 61.63 3gbu s ILE 15 Cb -0.24 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.13 3gbu s ILE 15 CO -0.01 0.02 1.76 -1.20 0.00 0.00 0.00 174.94 175.51 3gbu n SER 16 N 5.67 3.43 0.22 3.58 7.64 -0.01 -1.12 113.62 133.03 3gbu n SER 16 Ca 0.01 1.02 0.12 0.00 1.01 0.00 0.00 58.87 61.02 3gbu n SER 16 Cb 0.49 -1.43 0.18 0.00 -1.01 0.00 0.00 64.21 62.44 3gbu n SER 16 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3gbu h VAL 17 N 4.62 0.03 -2.22 0.44 -1.51 -1.59 -3.46 116.25 112.56 3gbu h VAL 17 Ca -0.47 -1.03 -0.56 0.00 -1.23 0.00 0.00 66.70 63.41 3gbu h VAL 17 Cb 1.26 2.00 -0.14 0.00 -2.13 0.00 0.00 31.29 32.28 3gbu h VAL 17 CO 0.92 0.02 -0.66 -1.83 -1.23 0.00 0.00 177.57 174.80 3gbu s GLU 18 N -3.21 1.73 0.84 5.19 -1.05 -1.26 -5.09 118.70 115.85 3gbu s GLU 18 Ca 0.07 -1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 52.86 3gbu s GLU 18 Cb 0.05 -1.42 0.10 0.00 -0.44 0.00 0.00 34.13 32.42 3gbu s GLU 18 CO 0.67 0.04 1.10 -1.21 0.95 0.00 0.00 175.26 176.81 3gbu s GLU 19 N -3.70 1.70 0.00 -4.83 0.41 -1.26 -4.96 118.70 106.07 3gbu s GLU 19 Ca 0.32 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.56 3gbu s GLU 19 Cb 0.05 -1.87 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 3gbu s GLU 19 CO 0.15 -1.89 0.00 0.41 -0.49 0.00 0.00 175.26 173.44 3gbu n GLY 20 N -1.75 2.96 3.74 -1.39 0.00 -1.26 -4.80 105.19 102.69 3gbu n GLY 20 Ca 0.07 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 3gbu n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gbu s ASP 21 N 0.00 4.72 0.53 1.61 2.15 -1.26 -4.76 116.67 119.66 3gbu s ASP 21 Ca 0.00 2.40 0.22 0.00 0.43 0.00 0.00 52.55 55.59 3gbu s ASP 21 Cb 0.00 -2.60 1.38 0.00 -0.30 0.00 0.00 42.92 41.40 3gbu s ASP 21 CO 0.00 -1.91 2.08 -0.07 -0.17 0.00 0.00 175.17 175.10 3gbu h LEU 22 N 0.35 0.00 -1.11 -1.34 3.38 -1.96 -0.93 115.31 113.70 3gbu h LEU 22 Ca -0.49 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.55 3gbu h LEU 22 Cb 1.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3gbu h LEU 22 CO 0.53 0.00 0.61 0.50 0.09 0.00 0.00 178.44 180.16 3gbu h LYS 23 N 0.00 1.00 0.00 1.13 3.64 -2.02 -3.04 116.57 117.28 3gbu h LYS 23 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3gbu h LYS 23 Cb 0.48 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3gbu h LYS 23 CO -0.00 0.66 -1.36 -0.25 -2.27 0.00 0.00 179.45 176.23 3gbu n ASP 24 N -4.51 0.52 -4.69 4.20 8.00 -0.41 -4.96 116.55 114.69 3gbu n ASP 24 Ca 0.15 -0.36 -0.44 0.00 0.71 0.00 0.00 54.79 54.85 3gbu n ASP 24 Cb 0.23 1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 42.57 3gbu n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3gbu n VAL 25 N -1.95 0.32 -0.09 2.53 0.31 -0.83 -4.92 118.33 113.71 3gbu n VAL 25 Ca 0.00 -0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.09 3gbu n VAL 25 Cb 0.45 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 3gbu n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3gbu n ARG 26 N 3.14 0.68 -4.98 5.55 1.74 -1.26 -4.98 116.66 116.54 3gbu n ARG 26 Ca 0.14 0.16 -0.31 0.00 -0.77 0.00 0.00 57.85 57.07 3gbu n ARG 26 Cb 0.32 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 3gbu n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gbu s LEU 27 N -6.41 2.42 -0.02 0.55 1.43 -1.26 -5.09 118.68 110.30 3gbu s LEU 27 Ca -0.25 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3gbu s LEU 27 Cb 0.08 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3gbu s LEU 27 CO 0.70 0.31 -0.10 -0.36 0.23 0.00 0.00 176.35 177.12 3gbu s PHE 28 N -0.74 1.03 -0.17 0.29 0.08 -1.26 -1.41 117.98 115.80 3gbu s PHE 28 Ca 0.12 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 3gbu s PHE 28 Cb -0.10 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 3gbu s PHE 28 CO 0.01 -0.08 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.01 3gbu s GLU 29 N 0.03 3.58 -0.02 0.44 2.12 -0.27 -4.86 118.70 119.72 3gbu s GLU 29 Ca -0.01 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 3gbu s GLU 29 Cb -0.07 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 3gbu s GLU 29 CO 0.00 0.13 0.52 -1.59 -0.54 0.00 0.00 175.26 173.78 3gbu s LYS 30 N 0.65 4.21 0.11 4.30 -2.85 -1.26 -1.05 119.74 123.85 3gbu s LYS 30 Ca -0.03 0.59 -0.07 0.00 -1.00 0.00 0.00 55.97 55.46 3gbu s LYS 30 Cb -0.15 -3.32 -0.01 0.00 -2.06 0.00 0.00 37.83 32.29 3gbu s LYS 30 CO 0.02 0.44 0.16 -1.01 0.10 0.00 0.00 175.35 175.06 3gbu s HIS 31 N -0.35 0.37 0.28 1.78 3.76 -0.59 -4.99 115.29 115.56 3gbu s HIS 31 Ca 0.28 -0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 3gbu s HIS 31 Cb -0.17 -0.16 -0.09 0.00 1.11 0.00 0.00 32.58 33.26 3gbu s HIS 31 CO 0.15 -0.56 1.08 -2.14 -0.85 0.00 0.00 174.74 172.42 3gbu s PRO 32 N -3.92 4.65 0.30 8.40 0.02 -1.26 -0.68 135.00 142.50 3gbu s PRO 32 Ca 0.11 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.90 3gbu s PRO 32 Cb 0.05 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3gbu s PRO 32 CO -0.06 0.24 0.31 0.20 -0.33 0.00 0.00 177.00 177.35 3gbu s GLY 33 N -0.94 1.80 0.00 0.52 0.00 0.66 -4.75 107.32 104.61 3gbu s GLY 33 Ca 0.44 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3gbu s GLY 33 CO 0.40 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.83 3gbu n GLY 34 N -0.51 2.37 0.39 0.20 0.00 -1.26 -1.60 105.19 104.77 3gbu n GLY 34 Ca 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 3gbu n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 35 N 0.00 -0.04 -0.98 4.61 0.00 -1.99 0.34 119.26 121.19 3gbu h ALA 35 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3gbu h ALA 35 Cb 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3gbu h ALA 35 CO 0.00 -0.71 0.64 -1.35 0.00 0.00 0.00 179.25 177.82 3gbu h PRO 36 N -0.04 1.11 -0.34 0.00 0.11 -1.92 0.20 132.00 131.12 3gbu h PRO 36 Ca 0.28 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 3gbu h PRO 36 Cb 0.56 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3gbu h PRO 36 CO -0.92 0.73 -0.09 0.00 -0.21 0.00 0.00 178.00 177.52 3gbu h ALA 37 N 1.47 0.46 -0.91 -0.75 0.00 -0.96 -0.77 119.26 117.80 3gbu h ALA 37 Ca 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gbu h ALA 37 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3gbu h ALA 37 CO -0.17 0.32 0.53 -0.91 0.00 0.00 0.00 179.25 179.02 3gbu h ASN 38 N 0.44 1.11 -0.39 0.00 2.35 0.53 -1.59 115.58 118.03 3gbu h ASN 38 Ca 0.08 -0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3gbu h ASN 38 Cb 0.60 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3gbu h ASN 38 CO 0.04 0.87 -0.32 0.58 -1.65 0.00 0.00 177.43 176.94 3gbu h VAL 39 N 1.26 1.27 -0.79 2.81 2.07 -0.51 -1.84 116.25 120.53 3gbu h VAL 39 Ca 0.32 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3gbu h VAL 39 Cb -0.02 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3gbu h VAL 39 CO -0.06 0.50 0.53 0.00 0.02 0.00 0.00 177.57 178.56 3gbu h ALA 40 N 0.85 1.00 -0.39 1.67 0.00 -0.70 0.90 119.26 122.59 3gbu h ALA 40 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3gbu h ALA 40 Cb 0.90 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3gbu h ALA 40 CO 0.08 0.42 0.05 0.28 0.00 0.00 0.00 179.25 180.07 3gbu h VAL 41 N 1.07 1.25 -0.86 0.00 2.07 -1.20 -1.50 116.25 117.07 3gbu h VAL 41 Ca 0.29 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3gbu h VAL 41 Cb -0.12 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3gbu h VAL 41 CO -0.06 0.31 0.57 1.23 0.02 0.00 0.00 177.57 179.63 3gbu h GLY 42 N 0.50 1.23 0.89 2.17 0.00 -0.68 -0.35 103.07 106.82 3gbu h GLY 42 Ca 0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3gbu h GLY 42 CO 0.01 0.41 0.08 -2.08 0.00 0.00 0.00 176.54 174.96 3gbu h VAL 43 N 1.14 1.18 -0.62 4.60 2.07 -0.67 -2.38 116.25 121.56 3gbu h VAL 43 Ca 0.33 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3gbu h VAL 43 Cb -0.08 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3gbu h VAL 43 CO -0.09 0.18 0.37 -1.28 0.02 0.00 0.00 177.57 176.77 3gbu h SER 44 N 0.19 0.59 0.18 0.57 0.87 -0.87 -2.31 113.55 112.78 3gbu h SER 44 Ca 0.07 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3gbu h SER 44 Cb 0.20 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3gbu h SER 44 CO -0.00 0.41 -0.16 0.03 -0.53 0.00 0.00 176.83 176.57 3gbu h ARG 45 N 0.72 0.00 -0.01 2.24 3.08 -0.88 -1.29 114.38 118.25 3gbu h ARG 45 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3gbu h ARG 45 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3gbu h ARG 45 CO -0.12 0.16 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 3gbu n LEU 46 N -4.27 0.08 0.00 3.04 4.77 -0.89 -0.49 117.00 119.23 3gbu n LEU 46 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3gbu n LEU 46 Cb 0.23 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3gbu n LEU 46 CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3gbu n GLY 47 N 0.87 0.82 3.56 -0.72 0.00 -0.49 -4.73 105.19 104.50 3gbu n GLY 47 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3gbu n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbu s VAL 48 N -2.10 3.96 0.17 1.61 1.01 -1.05 -5.04 120.40 118.96 3gbu s VAL 48 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 61.98 61.31 3gbu s VAL 48 Cb 0.00 -2.70 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 3gbu s VAL 48 CO 0.00 0.54 1.59 -0.54 0.00 0.00 0.00 175.10 176.69 3gbu s LYS 49 N -0.13 4.20 0.06 2.72 1.02 -1.26 -3.43 119.74 122.92 3gbu s LYS 49 Ca 0.03 2.39 0.03 0.00 0.02 0.00 0.00 55.97 58.44 3gbu s LYS 49 Cb -0.13 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 3gbu s LYS 49 CO 0.02 -0.63 -0.10 -1.54 -0.92 0.00 0.00 175.35 172.19 3gbu s SER 50 N 1.20 1.17 0.12 2.83 1.04 -1.26 -2.41 113.70 116.39 3gbu s SER 50 Ca 0.71 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 56.57 3gbu s SER 50 Cb -0.44 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 3gbu s SER 50 CO 0.31 -0.20 -0.17 -0.44 0.98 0.00 0.00 173.24 173.73 3gbu s SER 51 N -1.85 2.25 -0.09 7.02 0.01 -0.29 -0.66 113.70 120.10 3gbu s SER 51 Ca -0.04 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.48 3gbu s SER 51 Cb -0.08 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3gbu s SER 51 CO 0.00 -0.06 -0.17 -0.22 0.41 0.00 0.00 173.24 173.21 3gbu s LEU 52 N -2.28 1.81 -0.25 2.44 2.96 -0.99 -0.51 118.68 121.85 3gbu s LEU 52 Ca 0.09 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3gbu s LEU 52 Cb -0.07 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3gbu s LEU 52 CO 0.04 0.07 0.04 -0.63 -1.32 0.00 0.00 176.35 174.55 3gbu s ILE 53 N 0.65 3.98 0.00 6.68 1.01 0.97 -3.72 121.20 130.78 3gbu s ILE 53 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3gbu s ILE 53 Cb -0.16 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3gbu s ILE 53 CO 0.04 0.30 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 3gbu n SER 54 N 4.88 0.00 -3.70 3.58 2.88 -0.93 -2.15 113.62 118.17 3gbu n SER 54 Ca -0.16 -0.88 -0.11 0.00 -1.33 0.00 0.00 58.87 56.39 3gbu n SER 54 Cb 0.50 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 3gbu n SER 54 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3gbu s LYS 55 N -1.63 0.31 0.42 -1.46 2.20 -1.26 -1.60 119.74 116.72 3gbu s LYS 55 Ca 0.00 0.71 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 3gbu s LYS 55 Cb 0.00 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 3gbu s LYS 55 CO 0.00 -0.17 0.04 0.14 -0.36 0.00 0.00 175.35 175.00 3gbu s VAL 56 N 1.44 1.32 0.57 4.02 -7.23 0.12 -2.01 120.40 118.63 3gbu s VAL 56 Ca -0.09 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 3gbu s VAL 56 Cb -0.09 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 3gbu s VAL 56 CO -0.11 0.00 0.89 -0.83 -0.31 0.00 0.00 175.10 174.74 3gbu s GLY 57 N -3.68 1.59 -1.34 2.32 0.00 -1.26 0.30 107.32 105.25 3gbu s GLY 57 Ca 0.25 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 3gbu s GLY 57 CO 0.13 -0.38 1.94 -2.01 0.00 0.00 0.00 173.10 172.78 3gbu n ASN 58 N -2.54 4.65 -3.40 1.64 5.15 -0.86 -4.19 115.26 115.71 3gbu n ASN 58 Ca 0.04 -2.98 -0.14 0.00 -0.60 0.00 0.00 54.58 50.89 3gbu n ASN 58 Cb 0.57 -1.58 -0.05 0.00 -0.53 0.00 0.00 39.78 38.19 3gbu n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3gbu s ASP 59 N 2.27 0.85 0.30 1.20 1.47 -1.26 -5.03 116.67 116.46 3gbu s ASP 59 Ca 0.44 -1.46 0.01 0.00 1.18 0.00 0.00 52.55 52.72 3gbu s ASP 59 Cb 0.09 0.62 0.53 0.00 -0.34 0.00 0.00 42.92 43.83 3gbu s ASP 59 CO -0.02 -1.22 1.89 -0.65 0.68 0.00 0.00 175.17 175.85 3gbu h PRO 60 N 2.16 0.99 -0.13 2.11 0.11 -2.00 -2.07 132.00 133.18 3gbu h PRO 60 Ca -0.28 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 3gbu h PRO 60 Cb 1.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3gbu h PRO 60 CO 0.39 0.66 -0.43 0.74 -0.21 0.00 0.00 178.00 179.15 3gbu h PHE 61 N 1.02 0.37 -0.36 0.65 0.04 -1.97 -1.02 116.94 115.67 3gbu h PHE 61 Ca 0.42 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 61.02 3gbu h PHE 61 Cb 0.27 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3gbu h PHE 61 CO -0.00 0.69 -0.03 0.78 -0.60 0.00 0.00 178.31 179.15 3gbu h GLY 62 N 1.21 0.70 1.21 -1.45 0.00 -1.57 -2.15 103.07 101.02 3gbu h GLY 62 Ca 0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 3gbu h GLY 62 CO 0.07 0.49 0.25 0.83 0.00 0.00 0.00 176.54 178.19 3gbu h GLU 63 N 0.45 1.01 0.35 4.80 5.08 -1.14 -2.32 114.58 122.80 3gbu h GLU 63 Ca 0.10 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3gbu h GLU 63 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3gbu h GLU 63 CO 0.02 0.83 -0.22 -0.92 -1.00 0.00 0.00 179.01 177.73 3gbu h TYR 64 N 0.98 -0.57 -0.53 4.33 3.20 -1.05 -1.13 116.97 122.21 3gbu h TYR 64 Ca 0.23 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3gbu h TYR 64 Cb 0.21 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 3gbu h TYR 64 CO 0.02 -0.34 0.25 -0.07 -1.64 0.00 0.00 178.16 176.37 3gbu h LEU 65 N -0.55 0.33 -0.82 2.82 3.38 -1.16 0.11 115.31 119.42 3gbu h LEU 65 Ca -0.04 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gbu h LEU 65 Cb 0.45 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3gbu h LEU 65 CO 0.03 0.22 0.41 0.40 0.09 0.00 0.00 178.44 179.59 3gbu h ILE 66 N 0.47 1.25 -0.30 1.22 2.04 -1.34 -1.34 117.51 119.53 3gbu h ILE 66 Ca 0.24 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3gbu h ILE 66 Cb 0.19 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3gbu h ILE 66 CO -0.19 0.30 0.01 -0.33 0.00 0.00 0.00 178.15 177.94 3gbu h GLU 67 N 1.16 0.52 -0.78 2.37 5.08 -0.43 -1.08 114.58 121.41 3gbu h GLU 67 Ca 0.28 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3gbu h GLU 67 Cb 0.10 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gbu h GLU 67 CO -0.04 0.65 0.45 0.93 -1.00 0.00 0.00 179.01 180.01 3gbu h GLU 68 N 0.32 1.08 -0.70 2.33 4.39 -0.78 -1.18 114.58 120.03 3gbu h GLU 68 Ca 0.09 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3gbu h GLU 68 Cb 0.41 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3gbu h GLU 68 CO 0.01 0.78 0.17 -0.07 -1.16 0.00 0.00 179.01 178.74 3gbu h LEU 69 N 1.08 1.07 -0.92 1.33 3.38 -1.15 -2.90 115.31 117.20 3gbu h LEU 69 Ca 0.28 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3gbu h LEU 69 Cb -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3gbu h LEU 69 CO -0.05 1.02 0.28 0.28 0.09 0.00 0.00 178.44 180.06 3gbu h SER 70 N 1.06 0.98 0.10 -0.43 0.02 -0.50 -1.21 113.55 113.58 3gbu h SER 70 Ca 0.22 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3gbu h SER 70 Cb 0.37 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3gbu h SER 70 CO 0.00 0.88 -0.04 0.11 -1.14 0.00 0.00 176.83 176.64 3gbu h LYS 71 N 1.04 0.00 -0.42 3.45 1.57 -1.05 0.82 116.57 121.99 3gbu h LYS 71 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gbu h LYS 71 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gbu h LYS 71 CO -0.02 0.04 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 3gbu n GLU 72 N -3.90 1.97 -1.44 3.15 -0.58 -0.52 -4.91 120.64 114.41 3gbu n GLU 72 Ca -0.03 -1.51 -0.15 0.00 -0.42 0.00 0.00 57.16 55.05 3gbu n GLU 72 Cb 0.13 -1.33 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3gbu n GLU 72 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3gbu n ASN 73 N 0.73 -4.93 -4.72 1.62 3.02 0.28 -4.67 115.26 106.58 3gbu n ASN 73 Ca 0.14 0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 54.65 3gbu n ASN 73 Cb 0.36 -3.76 -0.04 0.00 -0.61 0.00 0.00 39.78 35.72 3gbu n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gbu s VAL 74 N -2.52 4.51 -0.06 2.41 1.01 -0.80 -4.68 120.40 120.27 3gbu s VAL 74 Ca 0.00 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.69 3gbu s VAL 74 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3gbu s VAL 74 CO 0.00 0.27 1.57 -0.62 0.00 0.00 0.00 175.10 176.31 3gbu s ASP 75 N 0.26 6.73 0.00 3.32 2.15 0.17 -4.29 116.67 125.01 3gbu s ASP 75 Ca 0.49 2.15 0.16 0.00 0.43 0.00 0.00 52.55 55.78 3gbu s ASP 75 Cb -0.24 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.16 3gbu s ASP 75 CO 0.30 -0.88 1.22 0.35 -0.17 0.00 0.00 175.17 175.99 3gbu n THR 76 N 5.34 0.55 0.14 1.71 -2.24 -1.26 -2.36 114.28 116.16 3gbu n THR 76 Ca 0.16 -0.78 0.16 0.00 -2.27 0.00 0.00 64.05 61.33 3gbu n THR 76 Cb 0.43 0.88 0.72 0.00 -2.10 0.00 0.00 70.33 70.26 3gbu n THR 76 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gbu h ARG 77 N 3.11 0.00 -0.20 -0.78 3.08 -1.90 -0.59 114.38 117.10 3gbu h ARG 77 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gbu h ARG 77 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3gbu h ARG 77 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gbu n GLY 78 N -1.54 -0.03 3.51 0.04 0.00 -1.26 -4.73 105.19 101.20 3gbu n GLY 78 Ca 0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3gbu n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbu s ILE 79 N -1.74 5.12 0.20 -0.61 1.01 -0.23 -2.18 121.20 122.77 3gbu s ILE 79 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 3gbu s ILE 79 Cb 0.09 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3gbu s ILE 79 CO 0.12 0.04 0.39 -0.69 0.00 0.00 0.00 174.94 174.80 3gbu s VAL 80 N 1.70 5.20 -0.19 2.92 1.01 -0.63 -4.94 120.40 125.47 3gbu s VAL 80 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3gbu s VAL 80 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3gbu s VAL 80 CO 0.09 -0.16 0.05 -0.54 0.00 0.00 0.00 175.10 174.55 3gbu s LYS 81 N -3.27 3.87 -0.15 2.72 1.02 -1.26 -0.70 119.74 121.97 3gbu s LYS 81 Ca 0.39 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.75 3gbu s LYS 81 Cb -0.11 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3gbu s LYS 81 CO 0.29 0.17 0.75 0.34 -0.92 0.00 0.00 175.35 175.98 3gbu s ASP 82 N 0.62 6.89 0.20 2.83 -1.08 0.15 -4.81 116.67 121.47 3gbu s ASP 82 Ca 0.02 1.09 0.25 0.00 -0.52 0.00 0.00 52.55 53.40 3gbu s ASP 82 Cb -0.13 -2.42 0.89 0.00 -1.46 0.00 0.00 42.92 39.80 3gbu s ASP 82 CO 0.02 -0.29 1.76 -0.62 0.52 0.00 0.00 175.17 176.55 3gbu n GLU 83 N 4.81 0.21 -0.01 4.34 -0.58 -1.26 -2.03 120.64 126.12 3gbu n GLU 83 Ca 0.01 0.26 -0.02 0.00 -0.42 0.00 0.00 57.16 57.00 3gbu n GLU 83 Cb 0.50 -1.79 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3gbu n GLU 83 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gbu n LYS 84 N -2.17 0.10 -2.13 3.49 4.76 -1.26 -4.91 118.16 116.04 3gbu n LYS 84 Ca 0.05 0.04 -0.40 0.00 -2.87 0.00 0.00 58.31 55.13 3gbu n LYS 84 Cb 0.35 -0.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.98 3gbu n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3gbu s LYS 85 N -1.49 4.11 0.55 1.97 -0.14 -1.26 -4.99 119.74 118.49 3gbu s LYS 85 Ca -0.06 2.09 -0.07 0.00 -1.36 0.00 0.00 55.97 56.58 3gbu s LYS 85 Cb 0.01 -2.84 -0.02 0.00 -1.68 0.00 0.00 37.83 33.30 3gbu s LYS 85 CO 0.08 -0.35 0.88 -1.01 -0.76 0.00 0.00 175.35 174.19 3gbu s HIS 86 N -1.26 3.48 0.35 3.18 3.76 -1.26 -4.15 115.29 119.39 3gbu s HIS 86 Ca 0.54 0.86 -0.28 0.00 -0.15 0.00 0.00 55.06 56.04 3gbu s HIS 86 Cb -0.37 -2.54 -0.12 0.00 1.11 0.00 0.00 32.58 30.67 3gbu s HIS 86 CO 0.47 -0.55 1.28 2.41 -0.85 0.00 0.00 174.74 177.50 3gbu n THR 87 N -2.47 2.06 -1.81 1.30 -1.04 -1.26 -0.56 114.28 110.50 3gbu n THR 87 Ca 0.03 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.16 3gbu n THR 87 Cb 0.56 -1.55 0.04 0.00 -1.82 0.00 0.00 70.33 67.56 3gbu n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3gbu s GLY 88 N -0.34 2.88 -0.01 3.41 0.00 -1.26 -4.76 107.32 107.24 3gbu s GLY 88 Ca 0.56 1.30 -0.07 0.00 0.00 0.00 0.00 44.72 46.51 3gbu s GLY 88 CO 0.62 1.80 0.13 -0.26 0.00 0.00 0.00 173.10 175.39 3gbu s ILE 89 N -1.33 0.07 -0.12 0.90 -4.36 -1.26 -0.69 121.20 114.41 3gbu s ILE 89 Ca 0.72 -0.58 -0.06 0.00 -0.26 0.00 0.00 60.65 60.48 3gbu s ILE 89 Cb -0.39 -0.39 0.05 0.00 1.25 0.00 0.00 42.46 42.98 3gbu s ILE 89 CO 0.46 -0.32 0.27 0.54 0.24 0.00 0.00 174.94 176.13 3gbu s VAL 90 N -1.13 -0.08 -0.14 8.37 0.11 -0.21 -2.50 120.40 124.82 3gbu s VAL 90 Ca -0.12 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.89 3gbu s VAL 90 Cb -0.07 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3gbu s VAL 90 CO 0.01 0.06 0.52 -0.36 -3.33 0.00 0.00 175.10 172.00 3gbu s PHE 91 N 1.40 3.47 0.03 1.54 0.08 -0.34 -0.10 117.98 124.06 3gbu s PHE 91 Ca -0.08 0.89 0.04 0.00 0.12 0.00 0.00 56.93 57.89 3gbu s PHE 91 Cb -0.10 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 3gbu s PHE 91 CO -0.09 0.07 -0.11 0.14 -0.10 0.00 0.00 175.22 175.12 3gbu s VAL 92 N 1.00 0.85 -0.30 -0.44 -7.23 0.35 -0.40 120.40 114.22 3gbu s VAL 92 Ca 0.27 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 3gbu s VAL 92 Cb -0.15 -0.79 0.08 0.00 0.56 0.00 0.00 36.38 36.08 3gbu s VAL 92 CO 0.11 -0.02 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.28 3gbu s GLN 93 N -0.94 1.92 0.29 4.82 2.00 0.16 -0.83 119.66 127.08 3gbu s GLN 93 Ca -0.00 -1.59 0.23 0.00 -2.00 0.00 0.00 55.36 52.00 3gbu s GLN 93 Cb -0.07 -3.08 0.16 0.00 0.80 0.00 0.00 33.01 30.83 3gbu s GLN 93 CO 0.01 -0.75 1.29 -0.07 -0.50 0.00 0.00 175.29 175.27 3gbu h LEU 94 N 7.73 0.00-10.53 3.68 3.38 -1.88 -1.24 115.31 116.45 3gbu h LEU 94 Ca -0.13 -0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.36 3gbu h LEU 94 Cb 1.03 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.86 3gbu h LEU 94 CO 0.50 0.00 0.32 -0.54 0.09 0.00 0.00 178.44 178.81 3gbu s LYS 95 N -3.29 2.45 0.23 1.13 1.02 -1.26 -4.73 119.74 115.29 3gbu s LYS 95 Ca 0.03 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.11 3gbu s LYS 95 Cb 0.08 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3gbu s LYS 95 CO 0.74 -1.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 3gbu n GLY 96 N -2.99 -2.60 0.12 -3.33 0.00 -1.26 -4.16 105.19 90.97 3gbu n GLY 96 Ca 0.07 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.52 3gbu n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 97 N 0.00 0.54 -2.15 4.61 0.00 -2.01 -3.39 119.26 116.86 3gbu h ALA 97 Ca 0.00 -0.07 -0.63 0.00 0.00 0.00 0.00 54.91 54.22 3gbu h ALA 97 Cb 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.41 3gbu h ALA 97 CO 0.00 0.07 -0.40 -1.13 0.00 0.00 0.00 179.25 177.80 3gbu n SER 98 N -2.72 4.40 -4.52 0.00 3.41 -1.26 -5.09 113.62 107.85 3gbu n SER 98 Ca -0.01 -3.53 -0.42 0.00 -0.26 0.00 0.00 58.87 54.66 3gbu n SER 98 Cb 0.57 -0.72 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3gbu n SER 98 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gbu n PRO 99 N 0.53 0.86 -4.09 4.33 -0.02 -1.26 -5.00 135.00 130.35 3gbu n PRO 99 Ca 0.31 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3gbu n PRO 99 Cb 0.39 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.09 3gbu n PRO 99 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gbu s SER 100 N -0.86 0.13 0.17 2.55 1.04 -0.47 -5.01 113.70 111.24 3gbu s SER 100 Ca 0.63 -1.13 -0.19 0.00 0.48 0.00 0.00 55.95 55.75 3gbu s SER 100 Cb -0.60 0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.96 3gbu s SER 100 CO 0.57 -0.87 0.52 0.72 0.98 0.00 0.00 173.24 175.16 3gbu s PHE 101 N -4.06 -0.25 -0.26 5.02 -0.12 -1.26 -0.67 117.98 116.38 3gbu s PHE 101 Ca 0.27 -0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 57.07 3gbu s PHE 101 Cb 0.05 0.41 0.08 0.00 -0.63 0.00 0.00 43.02 42.93 3gbu s PHE 101 CO 0.06 -0.86 0.07 -1.17 -0.05 0.00 0.00 175.22 173.27 3gbu s LEU 102 N -2.83 1.71 -0.18 -1.99 2.96 0.46 -4.98 118.68 113.83 3gbu s LEU 102 Ca 0.06 -1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 52.61 3gbu s LEU 102 Cb -0.00 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 3gbu s LEU 102 CO -0.07 -0.37 0.10 -0.22 -1.32 0.00 0.00 176.35 174.47 3gbu s LEU 103 N 1.74 4.06 -0.26 -0.68 0.20 -1.26 -1.20 118.68 121.28 3gbu s LEU 103 Ca 0.05 0.19 -0.19 0.00 0.69 0.00 0.00 54.13 54.87 3gbu s LEU 103 Cb -0.17 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 3gbu s LEU 103 CO -0.19 0.20 0.56 -0.31 -0.29 0.00 0.00 176.35 176.33 3gbu s TYR 104 N 0.20 3.27 -0.18 5.38 1.51 -1.04 -4.98 117.35 121.51 3gbu s TYR 104 Ca 0.07 0.69 0.19 0.00 -1.01 0.00 0.00 57.07 57.01 3gbu s TYR 104 Cb -0.12 -2.78 -0.07 0.00 -0.11 0.00 0.00 41.96 38.89 3gbu s TYR 104 CO -0.01 -0.31 0.95 0.38 -1.11 0.00 0.00 175.55 175.45 3gbu h ASP 105 N 7.99 0.00 -2.02 2.29 2.03 -1.98 -3.41 116.42 121.32 3gbu h ASP 105 Ca -0.28 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.28 3gbu h ASP 105 Cb 1.13 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 39.46 3gbu h ASP 105 CO 0.74 0.32 1.48 -0.67 -1.03 0.00 0.00 179.24 180.08 3gbu n ASP 106 N -2.81 5.19 -4.26 4.15 4.64 -1.26 -4.79 116.55 117.41 3gbu n ASP 106 Ca -0.05 -2.99 -0.14 0.00 -1.38 0.00 0.00 54.79 50.23 3gbu n ASP 106 Cb 0.71 -1.57 -0.10 0.00 -1.04 0.00 0.00 41.12 39.12 3gbu n ASP 106 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3gbu s VAL 107 N 1.54 0.29 0.22 5.18 -7.23 -1.26 -4.64 120.40 114.49 3gbu s VAL 107 Ca 0.43 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 3gbu s VAL 107 Cb -0.01 -2.57 0.22 0.00 0.56 0.00 0.00 36.38 34.59 3gbu s VAL 107 CO 0.01 -0.01 1.65 0.00 -0.31 0.00 0.00 175.10 176.44 3gbu h ALA 108 N 2.50 0.63 0.00 1.32 0.00 -1.04 -2.51 119.26 120.15 3gbu h ALA 108 Ca -0.37 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gbu h ALA 108 Cb 1.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3gbu h ALA 108 CO 0.57 -0.40 0.00 0.10 0.00 0.00 0.00 179.25 179.52 3gbu h TYR 109 N 0.10 0.00 -0.01 0.00 -0.00 -1.70 -0.90 116.97 114.46 3gbu h TYR 109 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 3gbu h TYR 109 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.29 3gbu h TYR 109 CO -0.40 0.00 -0.21 1.19 -0.00 0.00 0.00 178.16 178.74 3gbu n PHE 110 N -3.01 0.00 -3.64 0.10 3.72 -0.95 -4.80 117.46 108.88 3gbu n PHE 110 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 3gbu n PHE 110 Cb 0.19 -0.11 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 3gbu n PHE 110 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gbu s ASN 111 N -2.43 5.60 -0.00 4.37 2.47 -0.35 -2.46 114.94 122.13 3gbu s ASN 111 Ca 0.26 -1.27 -0.30 0.00 0.42 0.00 0.00 52.86 51.97 3gbu s ASN 111 Cb 0.20 -1.97 0.12 0.00 -1.45 0.00 0.00 41.25 38.14 3gbu s ASN 111 CO 0.49 -0.45 1.27 0.42 -3.72 0.00 0.00 177.10 175.11 3gbu s THR 113 N 1.46 0.00 0.43 -5.21 -4.23 -1.26 -4.83 115.64 101.99 3gbu s THR 113 Ca 0.02 -0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.37 3gbu s THR 113 Cb -0.21 -2.04 0.25 0.00 1.34 0.00 0.00 72.50 71.84 3gbu s THR 113 CO 0.04 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.10 3gbu h LEU 114 N 2.00 0.34 -1.45 4.79 3.38 -1.95 -0.50 115.31 121.91 3gbu h LEU 114 Ca -0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3gbu h LEU 114 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gbu h LEU 114 CO 0.28 0.28 0.00 0.78 0.09 0.00 0.00 178.44 179.88 3gbu h ASN 115 N 0.40 0.00 0.32 -0.43 -0.26 -2.02 -1.56 115.58 112.03 3gbu h ASN 115 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3gbu h ASN 115 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3gbu h ASN 115 CO -0.02 0.00 -0.30 0.47 -1.06 0.00 0.00 177.43 176.53 3gbu n ASP 116 N -2.50 0.84 -4.58 5.81 8.00 -0.20 -4.86 116.55 119.06 3gbu n ASP 116 Ca -0.00 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.38 3gbu n ASP 116 Cb 0.14 0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 3gbu n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gbu s ILE 117 N -2.62 4.68 -0.71 0.53 -1.09 -0.59 -4.83 121.20 116.57 3gbu s ILE 117 Ca 0.21 0.89 -0.27 0.00 -2.23 0.00 0.00 60.65 59.25 3gbu s ILE 117 Cb 0.19 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.84 3gbu s ILE 117 CO 0.56 -0.51 1.25 0.21 -1.23 0.00 0.00 174.94 175.21 3gbu s ASN 118 N 1.91 6.20 0.48 3.58 3.84 -1.26 -4.87 114.94 124.82 3gbu s ASN 118 Ca 0.33 -0.40 0.23 0.00 0.21 0.00 0.00 52.86 53.23 3gbu s ASN 118 Cb -0.13 -2.55 1.22 0.00 -0.55 0.00 0.00 41.25 39.25 3gbu s ASN 118 CO 0.18 -1.76 1.99 -0.50 -2.79 0.00 0.00 177.10 174.23 3gbu h TRP 119 N 9.93 0.00 -0.04 0.43 4.06 -1.95 -2.98 115.95 125.39 3gbu h TRP 119 Ca -0.28 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.67 3gbu h TRP 119 Cb 1.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3gbu h TRP 119 CO 1.10 0.18 0.02 -0.44 -3.56 0.00 0.00 178.44 175.74 3gbu h ASP 120 N 0.00 0.05 -0.71 -3.49 3.32 -1.98 0.52 116.42 114.13 3gbu h ASP 120 Ca -0.00 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 56.96 3gbu h ASP 120 Cb 0.44 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3gbu h ASP 120 CO 0.02 0.17 0.47 0.40 -1.72 0.00 0.00 179.24 178.58 3gbu h ILE 121 N -0.07 1.07 0.00 0.35 2.04 -1.96 0.30 117.51 119.24 3gbu h ILE 121 Ca 0.01 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3gbu h ILE 121 Cb 0.13 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3gbu h ILE 121 CO -0.00 0.15 -0.14 0.58 0.00 0.00 0.00 178.15 178.74 3gbu h VAL 122 N 0.81 0.30 -0.11 1.67 2.07 -1.24 -3.08 116.25 116.66 3gbu h VAL 122 Ca 0.29 -1.01 -0.21 0.00 0.82 0.00 0.00 66.70 66.59 3gbu h VAL 122 Cb 0.13 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3gbu h VAL 122 CO -0.09 0.13 -0.79 -0.08 0.02 0.00 0.00 177.57 176.77 3gbu h GLU 123 N 0.00 0.65 -0.02 1.57 4.81 0.38 -3.33 114.58 118.64 3gbu h GLU 123 Ca -0.00 -0.55 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3gbu h GLU 123 Cb 0.78 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3gbu h GLU 123 CO 0.02 1.17 -0.01 0.93 -0.73 0.00 0.00 179.01 180.38 3gbu h GLU 124 N 0.44 0.04 -6.16 1.92 5.08 -1.26 -3.47 114.58 111.17 3gbu h GLU 124 Ca -0.05 -0.02 -0.71 0.00 -1.00 0.00 0.00 59.36 57.58 3gbu h GLU 124 Cb 1.40 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.72 3gbu h GLU 124 CO 0.15 0.49 0.10 0.00 -1.00 0.00 0.00 179.01 178.76 3gbu n ALA 125 N -2.34 -2.13 0.08 3.43 0.00 -1.17 -4.74 120.51 113.64 3gbu n ALA 125 Ca -0.08 0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.99 3gbu n ALA 125 Cb 0.25 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 17.70 3gbu n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gbu n LYS 126 N 1.67 0.61 -3.81 0.00 4.76 0.16 -4.72 118.16 116.82 3gbu n LYS 126 Ca 0.18 -0.12 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 3gbu n LYS 126 Cb 0.18 -1.58 -0.16 0.00 -1.84 0.00 0.00 35.03 31.63 3gbu n LYS 126 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gbu s ILE 127 N -3.46 -0.01 -0.16 -0.18 1.01 -1.13 -1.15 121.20 116.13 3gbu s ILE 127 Ca -0.05 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.77 3gbu s ILE 127 Cb 0.13 -0.11 0.02 0.00 0.01 0.00 0.00 42.46 42.52 3gbu s ILE 127 CO 0.88 0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 175.03 3gbu s VAL 128 N 0.91 1.91 -0.19 2.92 1.01 0.58 -1.78 120.40 125.75 3gbu s VAL 128 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3gbu s VAL 128 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3gbu s VAL 128 CO -0.02 0.52 0.04 0.21 0.00 0.00 0.00 175.10 175.84 3gbu s ASN 129 N 1.24 5.31 0.05 3.32 2.47 0.58 -0.65 114.94 127.27 3gbu s ASN 129 Ca 0.02 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.30 3gbu s ASN 129 Cb -0.13 -1.91 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 3gbu s ASN 129 CO -0.10 0.14 -0.09 0.72 -3.72 0.00 0.00 177.10 174.05 3gbu s PHE 130 N 0.57 0.78 0.40 0.43 -0.12 -0.66 -0.46 117.98 118.93 3gbu s PHE 130 Ca 0.01 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.41 3gbu s PHE 130 Cb -0.13 -0.46 -0.00 0.00 -0.63 0.00 0.00 43.02 41.79 3gbu s PHE 130 CO 0.02 -0.06 0.57 0.20 -0.05 0.00 0.00 175.22 175.90 3gbu s GLY 131 N -1.72 1.62 0.05 1.99 0.00 -1.22 -3.51 107.32 104.52 3gbu s GLY 131 Ca -0.07 -1.31 0.16 0.00 0.00 0.00 0.00 44.72 43.50 3gbu s GLY 131 CO 0.00 -1.18 0.82 1.48 0.00 0.00 0.00 173.10 174.23 3gbu h SER 132 N 0.64 0.00 -0.75 1.64 4.64 -1.77 -3.37 113.55 114.58 3gbu h SER 132 Ca -0.45 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.91 3gbu h SER 132 Cb 1.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 3gbu h SER 132 CO 0.54 0.63 0.46 0.58 -0.87 0.00 0.00 176.83 178.17 3gbu h VAL 133 N 0.00 1.05 0.00 0.95 2.07 -1.86 -0.57 116.25 117.89 3gbu h VAL 133 Ca -0.17 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3gbu h VAL 133 Cb 1.63 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3gbu h VAL 133 CO 0.05 0.16 -0.02 -0.29 0.02 0.00 0.00 177.57 177.48 3gbu h ILE 134 N 0.87 0.73 0.00 4.57 6.09 -1.97 -0.45 117.51 127.35 3gbu h ILE 134 Ca 0.32 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 3gbu h ILE 134 Cb 0.11 1.05 0.00 0.00 0.47 0.00 0.00 36.82 38.46 3gbu h ILE 134 CO -0.15 0.02 0.00 0.18 -3.07 0.00 0.00 178.15 175.14 3gbu n LEU 135 N -4.10 0.39 0.26 2.19 4.77 -0.23 -3.68 117.00 116.62 3gbu n LEU 135 Ca -0.03 0.57 0.16 0.00 -0.03 0.00 0.00 56.01 56.68 3gbu n LEU 135 Cb 0.11 -0.48 0.90 0.00 -2.33 0.00 0.00 43.42 41.61 3gbu n LEU 135 CO 0.30 -0.28 1.14 0.00 -1.33 0.00 0.00 177.39 177.22 3gbu h ALA 136 N 2.53 1.60 -2.73 -1.18 0.00 -1.03 -3.42 119.26 115.04 3gbu h ALA 136 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3gbu h ALA 136 Cb 0.44 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.05 3gbu h ALA 136 CO 0.00 -0.13 -0.70 1.03 0.00 0.00 0.00 179.25 179.46 3gbu s ARG 137 N -4.59 0.43 0.35 0.00 1.81 -1.24 -4.94 118.95 110.77 3gbu s ARG 137 Ca -0.05 -0.84 0.02 0.00 -1.72 0.00 0.00 55.73 53.14 3gbu s ARG 137 Cb 0.15 0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 3gbu s ARG 137 CO 0.53 -0.06 0.54 -0.80 -0.68 0.00 0.00 175.30 174.83 3gbu s ASN 138 N -1.99 6.20 0.30 0.23 0.02 -1.26 -0.78 114.94 117.66 3gbu s ASN 138 Ca -0.07 0.32 0.26 0.00 -1.02 0.00 0.00 52.86 52.34 3gbu s ASN 138 Cb -0.04 -1.86 0.92 0.00 0.02 0.00 0.00 41.25 40.29 3gbu s ASN 138 CO -0.04 -0.34 1.76 1.55 0.02 0.00 0.00 177.10 180.05 3gbu h PRO 139 N 0.76 0.00 -0.97 -0.60 0.13 -1.87 -3.45 132.00 126.00 3gbu h PRO 139 Ca -0.49 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.83 3gbu h PRO 139 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 3gbu h PRO 139 CO 0.60 0.00 0.56 0.77 -0.23 0.00 0.00 178.00 179.70 3gbu h SER 140 N 0.00 0.68 0.12 1.44 0.02 -1.46 -1.71 113.55 112.65 3gbu h SER 140 Ca 0.00 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3gbu h SER 140 Cb 0.57 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3gbu h SER 140 CO 0.00 0.21 -0.24 -0.09 -1.14 0.00 0.00 176.83 175.57 3gbu h ARG 141 N 0.68 -0.43 -0.59 3.45 2.43 -1.07 0.18 114.38 119.02 3gbu h ARG 141 Ca 0.57 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.70 3gbu h ARG 141 Cb 0.94 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3gbu h ARG 141 CO -0.41 -0.29 0.08 0.93 -1.51 0.00 0.00 179.97 178.77 3gbu h GLU 142 N -0.45 0.96 -0.33 0.20 5.08 -1.75 -2.88 114.58 115.41 3gbu h GLU 142 Ca 0.03 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3gbu h GLU 142 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3gbu h GLU 142 CO -0.14 0.90 0.16 1.15 -1.00 0.00 0.00 179.01 180.08 3gbu h THR 143 N 0.90 1.15 0.00 1.13 2.02 -0.95 -0.76 112.91 116.40 3gbu h THR 143 Ca 0.18 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3gbu h THR 143 Cb 0.42 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3gbu h THR 143 CO 0.01 0.16 0.00 0.52 0.37 0.00 0.00 175.52 176.58 3gbu n VAL 144 N -4.76 0.25 0.00 3.16 0.31 0.59 -1.91 118.33 115.97 3gbu n VAL 144 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3gbu n VAL 144 Cb 0.10 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 3gbu n VAL 144 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3gbu n LYS 146 N 0.69 0.00 0.05 5.55 5.02 -0.29 -1.45 118.16 127.73 3gbu n LYS 146 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3gbu n LYS 146 Cb 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.10 3gbu n LYS 146 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gbu h VAL 147 N 0.00 0.81 -0.55 -0.18 2.07 -1.63 -1.14 116.25 115.63 3gbu h VAL 147 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3gbu h VAL 147 Cb 0.00 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3gbu h VAL 147 CO 0.00 0.00 0.20 0.40 0.02 0.00 0.00 177.57 178.19 3gbu h ILE 148 N -0.13 1.21 -0.16 4.57 1.08 -1.53 -1.54 117.51 121.01 3gbu h ILE 148 Ca 0.03 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3gbu h ILE 148 Cb 0.17 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3gbu h ILE 148 CO -0.08 0.26 0.08 0.50 -0.69 0.00 0.00 178.15 178.22 3gbu h LYS 149 N 0.79 0.23 -0.29 2.37 1.63 -1.72 -1.35 116.57 118.23 3gbu h LYS 149 Ca 0.18 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3gbu h LYS 149 Cb 0.19 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 3gbu h LYS 149 CO -0.01 0.27 0.16 -0.22 -3.45 0.00 0.00 179.45 176.20 3gbu h LYS 150 N 0.13 0.40 0.00 1.90 3.64 -0.79 -2.95 116.57 118.91 3gbu h LYS 150 Ca 0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3gbu h LYS 150 Cb 0.12 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3gbu h LYS 150 CO -0.01 0.34 -0.05 -0.84 -2.27 0.00 0.00 179.45 176.63 3gbu h ILE 151 N 0.35 0.12 -1.48 2.00 3.07 -1.24 -3.46 117.51 116.89 3gbu h ILE 151 Ca 0.10 -0.65 -0.74 0.00 1.55 0.00 0.00 64.86 65.12 3gbu h ILE 151 Cb 0.06 1.58 0.03 0.00 -0.27 0.00 0.00 36.82 38.21 3gbu h ILE 151 CO -0.02 0.05 0.68 1.17 -1.05 0.00 0.00 178.15 178.98 3gbu n LYS 152 N -3.16 0.92 -0.01 0.16 3.00 -0.52 0.02 118.16 118.58 3gbu n LYS 152 Ca 0.01 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 3gbu n LYS 152 Cb 0.34 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.40 3gbu n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gbu n GLY 153 N 3.47 0.37 0.03 3.14 0.00 -1.26 -4.85 105.19 106.09 3gbu n GLY 153 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3gbu n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gbu n SER 154 N 0.00 3.22 -4.06 1.61 7.64 0.10 -5.02 113.62 117.11 3gbu n SER 154 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3gbu n SER 154 Cb 0.00 0.71 -0.11 0.00 -1.01 0.00 0.00 64.21 63.80 3gbu n SER 154 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gbu s SER 155 N -3.84 0.83 0.32 6.43 0.01 -1.14 -4.94 113.70 111.37 3gbu s SER 155 Ca -0.04 -0.55 -0.28 0.00 1.31 0.00 0.00 55.95 56.39 3gbu s SER 155 Cb 0.02 0.04 -0.10 0.00 0.21 0.00 0.00 66.02 66.20 3gbu s SER 155 CO 0.30 -0.21 1.17 -0.76 0.41 0.00 0.00 173.24 174.15 3gbu s LEU 156 N -1.58 4.45 -0.18 2.44 1.43 -0.30 -4.70 118.68 120.24 3gbu s LEU 156 Ca -0.10 2.40 -0.05 0.00 -1.03 0.00 0.00 54.13 55.35 3gbu s LEU 156 Cb -0.10 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.38 3gbu s LEU 156 CO 0.00 -0.35 0.01 -0.63 0.23 0.00 0.00 176.35 175.61 3gbu s ILE 157 N -1.21 4.24 -0.09 -0.59 -1.09 -1.26 -0.31 121.20 120.89 3gbu s ILE 157 Ca 0.48 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.71 3gbu s ILE 157 Cb -0.34 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 3gbu s ILE 157 CO 0.44 0.45 -0.20 0.00 -1.23 0.00 0.00 174.94 174.40 3gbu s ALA 158 N 0.61 2.35 -0.08 9.38 0.00 0.18 -0.40 121.76 133.79 3gbu s ALA 158 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3gbu s ALA 158 Cb -0.14 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.11 3gbu s ALA 158 CO 0.02 0.35 -0.05 0.12 0.00 0.00 0.00 175.76 176.20 3gbu s PHE 159 N 0.04 1.09 -0.42 0.00 5.36 0.16 -1.65 117.98 122.57 3gbu s PHE 159 Ca -0.08 -0.44 -0.15 0.00 -0.96 0.00 0.00 56.93 55.30 3gbu s PHE 159 Cb -0.15 -0.98 0.03 0.00 -0.34 0.00 0.00 43.02 41.58 3gbu s PHE 159 CO 0.05 -0.38 0.34 0.34 -1.46 0.00 0.00 175.22 174.11 3gbu s ASP 160 N 1.57 6.13 0.33 6.13 -1.08 -1.23 -0.79 116.67 127.73 3gbu s ASP 160 Ca 0.01 -0.94 0.12 0.00 -0.52 0.00 0.00 52.55 51.21 3gbu s ASP 160 Cb -0.13 -2.17 0.99 0.00 -1.46 0.00 0.00 42.92 40.15 3gbu s ASP 160 CO -0.05 -0.50 1.67 0.58 0.52 0.00 0.00 175.17 177.39 3gbu h VAL 161 N 5.66 0.33 -6.61 1.11 2.07 -1.51 -3.32 116.25 113.99 3gbu h VAL 161 Ca -0.27 -0.12 -0.27 0.00 0.82 0.00 0.00 66.70 66.87 3gbu h VAL 161 Cb 1.12 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3gbu h VAL 161 CO 0.76 0.06 -0.51 -3.20 0.02 0.00 0.00 177.57 174.71 3gbu n ASN 162 N -5.06 -2.09 -4.70 0.57 5.15 -1.26 -4.39 115.26 103.47 3gbu n ASN 162 Ca 0.29 -0.56 -0.42 0.00 -0.60 0.00 0.00 54.58 53.29 3gbu n ASN 162 Cb 0.90 -0.75 -0.03 0.00 -0.53 0.00 0.00 39.78 39.37 3gbu n ASN 162 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3gbu s LEU 163 N -4.95 4.35 -0.47 1.20 2.96 -1.26 -4.50 118.68 116.01 3gbu s LEU 163 Ca 0.13 2.27 0.03 0.00 -0.22 0.00 0.00 54.13 56.34 3gbu s LEU 163 Cb -0.07 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.20 3gbu s LEU 163 CO 0.45 -0.72 0.33 -0.13 -1.32 0.00 0.00 176.35 174.96 3gbu s ARG 164 N 1.90 1.23 0.32 1.98 1.81 -1.26 -5.01 118.95 119.92 3gbu s ARG 164 Ca 0.66 -2.23 0.08 0.00 -1.72 0.00 0.00 55.73 52.53 3gbu s ARG 164 Cb -0.35 -1.96 0.83 0.00 -0.45 0.00 0.00 34.95 33.01 3gbu s ARG 164 CO 0.29 -1.30 1.76 -0.07 -0.68 0.00 0.00 175.30 175.30 3gbu h LEU 165 N 5.98 0.72 -2.20 2.53 3.38 -1.99 -0.22 115.31 123.50 3gbu h LEU 165 Ca 0.17 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.29 3gbu h LEU 165 Cb 0.89 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3gbu h LEU 165 CO 0.44 0.20 0.27 0.44 0.09 0.00 0.00 178.44 179.87 3gbu h ASP 166 N 0.67 0.00 0.83 -0.43 3.32 -2.01 0.84 116.42 119.64 3gbu h ASP 166 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3gbu h ASP 166 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3gbu h ASP 166 CO -0.41 0.00 -0.04 0.18 -1.72 0.00 0.00 179.24 177.25 3gbu n LEU 167 N -3.47 0.06 -0.08 1.55 4.77 -0.10 -3.79 117.00 115.95 3gbu n LEU 167 Ca 0.01 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 3gbu n LEU 167 Cb 0.37 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3gbu n LEU 167 CO 0.23 0.01 0.53 0.79 -1.33 0.00 0.00 177.39 177.63 3gbu n TRP 168 N -1.42 0.00 -1.72 -1.77 7.02 0.28 -4.91 117.44 114.93 3gbu n TRP 168 Ca 0.09 -0.83 -0.42 0.00 -1.02 0.00 0.00 57.50 55.32 3gbu n TRP 168 Cb 0.31 -0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 3gbu n TRP 168 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 3gbu n ARG 169 N -1.14 2.76 -0.10 -0.99 1.85 -1.20 -0.77 116.66 117.06 3gbu n ARG 169 Ca 0.12 0.99 0.00 0.00 -1.00 0.00 0.00 57.85 57.96 3gbu n ARG 169 Cb 0.56 -2.83 0.00 0.00 -1.05 0.00 0.00 32.46 29.14 3gbu n ARG 169 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gbu n GLY 170 N 3.77 1.47 2.28 2.89 0.00 -1.26 -4.82 105.19 109.52 3gbu n GLY 170 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 3gbu n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbu n GLN 171 N -2.00 1.01 0.04 1.61 10.64 0.06 -4.91 117.38 123.83 3gbu n GLN 171 Ca 0.00 -2.84 0.01 0.00 -1.83 0.00 0.00 57.00 52.34 3gbu n GLN 171 Cb 0.00 -0.91 0.34 0.00 -0.86 0.00 0.00 30.24 28.82 3gbu n GLN 171 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3gbu h GLU 172 N 1.91 0.42 -0.41 2.61 5.08 -1.81 -2.51 114.58 119.87 3gbu h GLU 172 Ca -0.19 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3gbu h GLU 172 Cb 1.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 3gbu h GLU 172 CO 0.14 0.47 0.14 0.93 -1.00 0.00 0.00 179.01 179.69 3gbu h GLU 173 N 0.41 0.63 -1.86 2.33 5.08 -1.91 -1.50 114.58 117.76 3gbu h GLU 173 Ca 0.09 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3gbu h GLU 173 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3gbu h GLU 173 CO 0.01 0.61 0.00 -1.91 -1.00 0.00 0.00 179.01 176.73 3gbu n GLU 174 N -4.60 0.18 0.00 2.33 4.07 -0.95 -2.16 120.64 119.51 3gbu n GLU 174 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3gbu n GLU 174 Cb 0.17 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.14 3gbu n GLU 174 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3gbu n ILE 176 N 1.14 0.00 -0.05 6.31 2.08 -0.57 -0.68 119.36 127.59 3gbu n ILE 176 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 3gbu n ILE 176 Cb 0.09 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 38.91 3gbu n ILE 176 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3gbu h LYS 177 N 0.00 0.26 -0.58 0.38 1.57 -1.71 -2.18 116.57 114.31 3gbu h LYS 177 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3gbu h LYS 177 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3gbu h LYS 177 CO 0.00 0.54 0.15 -0.39 -0.57 0.00 0.00 179.45 179.18 3gbu h VAL 178 N -0.04 1.25 -0.36 0.50 -1.51 -1.20 -0.88 116.25 114.01 3gbu h VAL 178 Ca 0.04 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3gbu h VAL 178 Cb 0.44 0.72 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 3gbu h VAL 178 CO 0.01 0.33 0.22 -0.07 -1.23 0.00 0.00 177.57 176.83 3gbu h LEU 179 N 0.83 0.44 -0.63 4.19 3.38 -1.80 0.48 115.31 122.19 3gbu h LEU 179 Ca 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gbu h LEU 179 Cb 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3gbu h LEU 179 CO 0.00 0.37 0.32 -0.08 0.09 0.00 0.00 178.44 179.14 3gbu h GLU 180 N 0.47 0.90 -0.62 1.13 4.81 -1.24 -0.23 114.58 119.80 3gbu h GLU 180 Ca 0.13 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3gbu h GLU 180 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3gbu h GLU 180 CO -0.02 0.70 0.36 0.93 -0.73 0.00 0.00 179.01 180.25 3gbu h GLU 181 N 0.86 0.85 -0.70 1.92 5.08 -0.72 -1.49 114.58 120.38 3gbu h GLU 181 Ca 0.22 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3gbu h GLU 181 Cb 0.09 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3gbu h GLU 181 CO -0.03 0.62 0.28 0.77 -1.00 0.00 0.00 179.01 179.66 3gbu h SER 182 N 0.84 0.96 -0.43 1.42 0.02 -0.52 -2.09 113.55 113.75 3gbu h SER 182 Ca 0.22 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3gbu h SER 182 Cb 0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3gbu h SER 182 CO -0.04 0.87 0.01 0.40 -1.14 0.00 0.00 176.83 176.93 3gbu h ILE 183 N 0.99 1.26 0.00 3.27 2.04 -0.78 -2.43 117.51 121.86 3gbu h ILE 183 Ca 0.23 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3gbu h ILE 183 Cb 0.20 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3gbu h ILE 183 CO -0.02 0.34 0.00 0.11 0.00 0.00 0.00 178.15 178.58 3gbu h LYS 184 N 0.59 0.00 0.00 2.37 1.57 -1.13 -2.02 116.57 117.94 3gbu h LYS 184 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gbu h LYS 184 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3gbu h LYS 184 CO 0.02 0.00 -0.57 -0.07 -0.57 0.00 0.00 179.45 178.26 3gbu h LEU 185 N 0.00 0.00 -9.68 2.94 3.38 -0.96 -3.48 115.31 107.52 3gbu h LEU 185 Ca 0.00 -0.16 -0.62 0.00 0.09 0.00 0.00 57.88 57.20 3gbu h LEU 185 Cb 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3gbu h LEU 185 CO 0.00 0.08 -0.23 0.00 0.09 0.00 0.00 178.44 178.38 3gbu s ALA 186 N -3.18 3.72 0.02 1.53 0.00 -0.76 -4.77 121.76 118.32 3gbu s ALA 186 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3gbu s ALA 186 Cb 0.12 -2.34 -0.27 0.00 0.00 0.00 0.00 23.12 20.64 3gbu s ALA 186 CO 0.71 0.50 0.93 -0.44 0.00 0.00 0.00 175.76 177.46 3gbu h ASP 187 N 4.69 0.34 -3.10 0.00 3.32 -1.15 -2.41 116.42 118.10 3gbu h ASP 187 Ca -0.52 -0.45 -0.64 0.00 0.02 0.00 0.00 57.03 55.43 3gbu h ASP 187 Cb 1.22 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 3gbu h ASP 187 CO 0.61 1.37 -0.85 -0.63 -1.72 0.00 0.00 179.24 178.02 3gbu s ILE 188 N -2.63 1.87 -0.05 0.35 1.01 0.46 -1.36 121.20 120.85 3gbu s ILE 188 Ca -0.07 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3gbu s ILE 188 Cb 0.07 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3gbu s ILE 188 CO 0.85 0.51 -0.24 -0.69 0.00 0.00 0.00 174.94 175.37 3gbu s VAL 189 N 1.29 1.99 -0.03 2.92 1.01 -0.63 0.40 120.40 127.35 3gbu s VAL 189 Ca 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.05 3gbu s VAL 189 Cb -0.13 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3gbu s VAL 189 CO -0.11 0.55 -0.26 -0.75 0.00 0.00 0.00 175.10 174.54 3gbu s LYS 190 N -0.18 2.17 -0.09 2.72 2.20 0.03 -0.92 119.74 125.67 3gbu s LYS 190 Ca -0.02 -0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 54.37 3gbu s LYS 190 Cb -0.13 -2.04 0.11 0.00 -1.51 0.00 0.00 37.83 34.25 3gbu s LYS 190 CO 0.03 0.52 0.89 0.00 -0.36 0.00 0.00 175.35 176.44 3gbu s ALA 191 N -0.52 -1.86 0.53 3.13 0.00 -0.65 -1.19 121.76 121.20 3gbu s ALA 191 Ca 0.07 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 3gbu s ALA 191 Cb -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 3gbu s ALA 191 CO -0.00 -0.43 0.93 -1.54 0.00 0.00 0.00 175.76 174.72 3gbu s SER 192 N -1.52 6.41 0.27 0.00 1.04 -1.26 -0.58 113.70 118.07 3gbu s SER 192 Ca -0.02 1.35 -0.01 0.00 0.48 0.00 0.00 55.95 57.75 3gbu s SER 192 Cb -0.01 -2.43 0.45 0.00 0.10 0.00 0.00 66.02 64.14 3gbu s SER 192 CO 0.00 -0.65 1.87 -0.08 0.98 0.00 0.00 173.24 175.35 3gbu h GLU 193 N 0.44 1.08 -0.98 4.02 4.81 -1.51 -0.23 114.58 122.20 3gbu h GLU 193 Ca -0.46 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 3gbu h GLU 193 Cb 1.19 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 3gbu h GLU 193 CO 0.62 0.71 0.64 1.49 -0.73 0.00 0.00 179.01 181.75 3gbu h GLU 194 N 1.11 1.19 -0.17 1.92 4.81 -1.92 -0.56 114.58 120.95 3gbu h GLU 194 Ca 0.45 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 59.44 3gbu h GLU 194 Cb 0.27 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3gbu h GLU 194 CO -0.20 0.79 -0.59 0.93 -0.73 0.00 0.00 179.01 179.20 3gbu h GLU 195 N 1.23 0.57 -0.67 1.92 5.08 -1.48 -1.86 114.58 119.37 3gbu h GLU 195 Ca 0.40 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3gbu h GLU 195 Cb 0.03 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3gbu h GLU 195 CO -0.13 1.00 0.33 0.28 -1.00 0.00 0.00 179.01 179.48 3gbu h VAL 196 N 0.43 1.22 -0.29 3.13 2.07 -0.36 -1.68 116.25 120.77 3gbu h VAL 196 Ca -0.00 -0.63 -0.17 0.00 0.82 0.00 0.00 66.70 66.72 3gbu h VAL 196 Cb 1.15 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3gbu h VAL 196 CO 0.11 0.26 -0.51 -0.07 0.02 0.00 0.00 177.57 177.39 3gbu h LEU 197 N 0.93 0.90 -0.44 2.57 3.38 -1.05 -1.39 115.31 120.20 3gbu h LEU 197 Ca 0.23 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3gbu h LEU 197 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3gbu h LEU 197 CO -0.03 1.24 0.22 0.22 0.09 0.00 0.00 178.44 180.18 3gbu h TYR 198 N 0.64 0.63 -0.08 1.13 3.20 -1.14 -1.88 116.97 119.47 3gbu h TYR 198 Ca 0.02 -0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.66 3gbu h TYR 198 Cb 1.09 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3gbu h TYR 198 CO 0.06 0.51 -0.81 -0.07 -1.64 0.00 0.00 178.16 176.21 3gbu h LEU 199 N 0.57 0.67 -0.74 2.82 3.38 -1.30 -2.80 115.31 117.90 3gbu h LEU 199 Ca 0.15 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3gbu h LEU 199 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3gbu h LEU 199 CO -0.02 1.24 0.39 -0.33 0.09 0.00 0.00 178.44 179.81 3gbu h GLU 200 N 0.36 1.05 0.00 1.13 5.08 -0.98 0.23 114.58 121.46 3gbu h GLU 200 Ca -0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3gbu h GLU 200 Cb 1.42 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3gbu h GLU 200 CO 0.15 0.80 0.00 -0.97 -1.00 0.00 0.00 179.01 177.99 3gbu h ASN 201 N 1.03 0.00 0.01 1.42 -0.73 -1.29 0.48 115.58 116.51 3gbu h ASN 201 Ca 0.26 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.43 3gbu h ASN 201 Cb 0.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.66 3gbu h ASN 201 CO -0.04 0.00 -0.07 0.00 -0.37 0.00 0.00 177.43 176.95 3gbu n GLN 202 N -2.94 1.74 -0.59 6.67 1.13 0.46 -4.92 117.38 118.93 3gbu n GLN 202 Ca -0.02 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.83 3gbu n GLN 202 Cb 0.13 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3gbu n GLN 202 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gbu n GLY 203 N 1.27 0.69 3.55 1.08 0.00 0.17 -5.06 105.19 106.89 3gbu n GLY 203 Ca 0.16 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3gbu n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbu s VAL 204 N -2.00 4.27 -0.19 1.61 1.01 0.51 -4.97 120.40 120.64 3gbu s VAL 204 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 3gbu s VAL 204 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3gbu s VAL 204 CO 0.00 0.48 0.67 -0.70 0.00 0.00 0.00 175.10 175.55 3gbu s GLU 205 N 0.40 4.23 -0.71 2.72 2.12 -1.26 -2.58 118.70 123.62 3gbu s GLU 205 Ca -0.01 0.70 -0.18 0.00 0.36 0.00 0.00 54.97 55.85 3gbu s GLU 205 Cb -0.13 -3.58 0.13 0.00 0.26 0.00 0.00 34.13 30.81 3gbu s GLU 205 CO 0.02 -0.26 0.79 0.08 -0.54 0.00 0.00 175.26 175.35 3gbu s VAL 206 N 1.98 4.99 -0.28 3.70 1.01 -1.26 -4.96 120.40 125.58 3gbu s VAL 206 Ca 0.31 -1.44 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 3gbu s VAL 206 Cb -0.16 -4.54 0.09 0.00 0.00 0.00 0.00 36.38 31.77 3gbu s VAL 206 CO 0.11 -1.17 0.76 -0.54 0.00 0.00 0.00 175.10 174.25 3gbu s LYS 207 N 2.10 0.69 0.43 2.72 1.02 -1.26 -5.03 119.74 120.41 3gbu s LYS 207 Ca 0.17 1.05 -0.12 0.00 0.02 0.00 0.00 55.97 57.08 3gbu s LYS 207 Cb -0.18 0.22 -0.07 0.00 -0.52 0.00 0.00 37.83 37.28 3gbu s LYS 207 CO -0.00 -0.12 0.83 0.20 -0.92 0.00 0.00 175.35 175.33 3gbu s GLY 208 N 1.13 2.01 0.00 -3.33 0.00 -1.26 -4.81 107.32 101.05 3gbu s GLY 208 Ca -0.06 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3gbu s GLY 208 CO -0.12 0.14 0.57 -1.14 0.00 0.00 0.00 173.10 172.55 3gbu n SER 209 N -1.31 0.00 -4.76 1.64 3.41 -0.91 -4.63 113.62 107.06 3gbu n SER 209 Ca 0.04 -0.25 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 3gbu n SER 209 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 3gbu n SER 209 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gbu s LEU 211 N -1.62 4.45 -0.03 1.04 2.96 -0.46 -4.84 118.68 120.17 3gbu s LEU 211 Ca 0.05 2.27 0.05 0.00 -0.22 0.00 0.00 54.13 56.29 3gbu s LEU 211 Cb 0.02 -3.75 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3gbu s LEU 211 CO 0.04 -0.28 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.73 3gbu s THR 212 N -1.26 1.44 -0.20 3.68 2.01 -0.34 -1.61 115.64 119.37 3gbu s THR 212 Ca 0.48 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.74 3gbu s THR 212 Cb -0.31 -1.22 0.04 0.00 0.01 0.00 0.00 72.50 71.02 3gbu s THR 212 CO 0.40 0.41 -0.09 0.00 -0.69 0.00 0.00 174.62 174.65 3gbu s ALA 213 N -0.16 1.89 -0.24 7.40 0.00 -0.10 -0.39 121.76 130.17 3gbu s ALA 213 Ca 0.01 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.75 3gbu s ALA 213 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3gbu s ALA 213 CO 0.01 -0.85 0.07 0.42 0.00 0.00 0.00 175.76 175.42 3gbu s ILE 214 N 1.45 4.41 0.11 0.00 -1.09 0.00 -1.64 121.20 124.43 3gbu s ILE 214 Ca -0.01 -0.14 -0.16 0.00 -2.23 0.00 0.00 60.65 58.11 3gbu s ILE 214 Cb -0.16 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.60 3gbu s ILE 214 CO -0.08 0.35 0.53 0.42 -1.23 0.00 0.00 174.94 174.94 3gbu s THR 215 N 1.43 4.85 -0.20 2.92 -4.23 0.26 -0.53 115.64 120.14 3gbu s THR 215 Ca 0.05 0.94 0.14 0.00 -1.18 0.00 0.00 61.69 61.64 3gbu s THR 215 Cb -0.15 -3.78 0.41 0.00 1.34 0.00 0.00 72.50 70.32 3gbu s THR 215 CO 0.04 0.38 1.27 0.18 -0.54 0.00 0.00 174.62 175.94 3gbu n LEU 216 N 1.20 3.01 0.00 4.79 4.77 0.62 -1.25 117.00 130.13 3gbu n LEU 216 Ca -0.08 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 3gbu n LEU 216 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gbu n LEU 216 CO 0.41 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 3gbu n GLY 217 N -1.15 2.00 0.09 -0.72 0.00 -1.23 -2.75 105.19 101.43 3gbu n GLY 217 Ca 0.21 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.81 3gbu n GLY 217 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gbu n PRO 218 N 13.15 0.10 0.00 1.61 -0.04 -1.26 -1.93 135.00 146.62 3gbu n PRO 218 Ca 0.00 0.48 0.15 0.00 -0.04 0.00 0.00 63.50 64.09 3gbu n PRO 218 Cb 0.00 -1.75 0.74 0.00 -0.04 0.00 0.00 33.50 32.45 3gbu n PRO 218 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gbu n LYS 219 N -1.95 1.18 0.00 0.54 4.01 -1.11 -4.54 118.16 116.30 3gbu n LYS 219 Ca 0.01 -0.38 0.00 0.00 -0.51 0.00 0.00 58.31 57.43 3gbu n LYS 219 Cb 0.11 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 3gbu n LYS 219 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gbu n GLY 220 N 1.11 -0.72 3.42 0.72 0.00 -0.81 -3.20 105.19 105.70 3gbu n GLY 220 Ca 0.21 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 3gbu n GLY 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gbu s PHE 221 N 0.00 1.31 -0.04 1.61 -0.12 -0.47 -0.28 117.98 120.00 3gbu s PHE 221 Ca 0.00 -1.43 0.01 0.00 -0.05 0.00 0.00 56.93 55.46 3gbu s PHE 221 Cb 0.00 -0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3gbu s PHE 221 CO 0.00 -1.05 -0.04 0.50 -0.05 0.00 0.00 175.22 174.58 3gbu s ARG 222 N -3.17 0.74 -0.06 1.99 3.52 0.31 -0.87 118.95 121.41 3gbu s ARG 222 Ca 0.34 -0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 3gbu s ARG 222 Cb 0.01 -0.76 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3gbu s ARG 222 CO 0.23 -0.05 0.01 -0.51 -0.81 0.00 0.00 175.30 174.16 3gbu s LEU 223 N 0.77 3.59 -0.04 -0.88 1.43 -0.15 -0.82 118.68 122.58 3gbu s LEU 223 Ca -0.10 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3gbu s LEU 223 Cb -0.13 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.22 3gbu s LEU 223 CO 0.00 0.35 0.07 -0.63 0.23 0.00 0.00 176.35 176.37 3gbu s ILE 224 N -0.95 -0.12 -0.13 -0.59 1.01 0.48 -1.14 121.20 119.75 3gbu s ILE 224 Ca 0.15 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.18 3gbu s ILE 224 Cb -0.11 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.22 3gbu s ILE 224 CO 0.05 0.15 -0.13 -0.75 0.00 0.00 0.00 174.94 174.26 3gbu s LYS 225 N 1.94 2.14 6.33 2.79 2.20 -0.59 -1.20 119.74 133.35 3gbu s LYS 225 Ca 0.01 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 3gbu s LYS 225 Cb -0.12 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.25 3gbu s LYS 225 CO -0.04 -0.18 0.00 0.09 -0.36 0.00 0.00 175.35 174.86 3gbu n ASN 226 N 4.61 0.00 0.00 1.43 4.13 -1.26 -0.30 115.26 123.87 3gbu n ASN 226 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 3gbu n ASN 226 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3gbu n ASN 226 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gbu n GLU 227 N 2.30 2.51 -3.07 3.52 1.02 -1.26 -4.97 120.64 120.69 3gbu n GLU 227 Ca 0.00 -1.35 -0.42 0.00 -0.02 0.00 0.00 57.16 55.36 3gbu n GLU 227 Cb 0.00 -0.96 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 3gbu n GLU 227 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gbu s THR 228 N -0.86 4.81 0.05 2.62 2.01 0.59 -5.05 115.64 119.82 3gbu s THR 228 Ca 0.00 0.46 0.02 0.00 0.31 0.00 0.00 61.69 62.47 3gbu s THR 228 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 3gbu s THR 228 CO 0.00 -0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 172.85 3gbu s VAL 229 N 2.89 4.64 -0.14 3.82 1.01 -1.26 -1.54 120.40 129.82 3gbu s VAL 229 Ca 0.26 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3gbu s VAL 229 Cb -0.14 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.10 3gbu s VAL 229 CO 0.18 0.21 0.09 -0.69 0.00 0.00 0.00 175.10 174.89 3gbu s VAL 230 N -1.32 -0.11 -0.14 2.92 1.01 -0.29 -5.00 120.40 117.45 3gbu s VAL 230 Ca 0.27 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 3gbu s VAL 230 Cb -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3gbu s VAL 230 CO 0.19 -0.17 0.56 -1.81 0.00 0.00 0.00 175.10 173.87 3gbu s ASP 231 N 2.16 6.71 -0.34 3.32 1.01 -1.26 -0.97 116.67 127.30 3gbu s ASP 231 Ca 0.03 0.85 0.02 0.00 0.71 0.00 0.00 52.55 54.17 3gbu s ASP 231 Cb -0.15 -2.32 0.10 0.00 1.01 0.00 0.00 42.92 41.55 3gbu s ASP 231 CO -0.08 -0.11 0.06 -0.69 0.21 0.00 0.00 175.17 174.56 3gbu s VAL 232 N 1.12 2.48 0.49 -1.27 1.01 -0.05 -5.02 120.40 119.17 3gbu s VAL 232 Ca 0.28 -2.18 -0.22 0.00 0.00 0.00 0.00 61.98 59.86 3gbu s VAL 232 Cb -0.16 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3gbu s VAL 232 CO 0.11 -0.53 1.18 -2.16 0.00 0.00 0.00 175.10 173.71 3gbu s PRO 233 N 0.98 3.56 0.60 2.72 0.04 -1.26 -1.37 135.00 140.27 3gbu s PRO 233 Ca 0.08 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 3gbu s PRO 233 Cb -0.20 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3gbu s PRO 233 CO -0.07 -0.72 1.33 -1.54 0.04 0.00 0.00 177.00 176.04 3gbu s SER 234 N -1.40 4.93 0.70 6.66 1.04 -1.19 -4.86 113.70 119.58 3gbu s SER 234 Ca 0.67 2.70 -0.15 0.00 0.48 0.00 0.00 55.95 59.64 3gbu s SER 234 Cb -0.29 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.22 3gbu s SER 234 CO 0.35 -1.79 1.19 -0.31 0.98 0.00 0.00 173.24 173.65 3gbu s TYR 235 N -1.35 2.20 -0.73 5.02 2.02 -1.26 -4.91 117.35 118.34 3gbu s TYR 235 Ca 0.77 1.58 -0.23 0.00 -0.37 0.00 0.00 57.07 58.82 3gbu s TYR 235 Cb -0.39 -3.41 0.07 0.00 -0.40 0.00 0.00 41.96 37.82 3gbu s TYR 235 CO 0.44 -2.39 1.09 1.21 -1.57 0.00 0.00 175.55 174.33 3gbu s ASN 236 N -2.09 6.24 0.10 2.29 2.47 -1.26 -4.97 114.94 117.72 3gbu s ASN 236 Ca 0.73 -1.00 -0.00 0.00 0.42 0.00 0.00 52.86 53.01 3gbu s ASN 236 Cb -0.28 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.02 3gbu s ASN 236 CO 0.43 -1.50 0.01 0.68 -3.72 0.00 0.00 177.10 173.00 3gbu s VAL 237 N 4.39 0.26 -0.52 -5.21 -7.23 -1.26 -5.11 120.40 105.72 3gbu s VAL 237 Ca 0.28 -1.89 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 3gbu s VAL 237 Cb -0.12 -1.84 0.13 0.00 0.56 0.00 0.00 36.38 35.10 3gbu s VAL 237 CO 0.08 -0.69 0.44 0.21 -0.31 0.00 0.00 175.10 174.83 3gbu s ASN 238 N -3.02 5.98 0.22 4.85 3.04 -1.26 -5.05 114.94 119.69 3gbu s ASN 238 Ca 0.17 -1.88 -0.32 0.00 0.04 0.00 0.00 52.86 50.88 3gbu s ASN 238 Cb 0.07 -2.12 -0.12 0.00 -1.54 0.00 0.00 41.25 37.54 3gbu s ASN 238 CO -0.03 -0.78 1.70 -0.81 -3.04 0.00 0.00 177.10 174.15 3gbu n PRO 239 N 5.05 2.72 -0.09 0.43 -0.04 -1.26 -4.88 135.00 136.94 3gbu n PRO 239 Ca -0.10 0.98 -0.21 0.00 -0.04 0.00 0.00 63.50 64.13 3gbu n PRO 239 Cb 0.40 -2.81 -0.12 0.00 -0.04 0.00 0.00 33.50 30.93 3gbu n PRO 239 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3gbu n LEU 240 N 3.69 2.65 -3.57 1.53 7.94 0.74 -4.95 117.00 125.02 3gbu n LEU 240 Ca 0.15 0.08 -0.01 0.00 -1.11 0.00 0.00 56.01 55.12 3gbu n LEU 240 Cb 0.35 -0.97 -0.04 0.00 0.53 0.00 0.00 43.42 43.28 3gbu n LEU 240 CO 0.64 0.81 0.21 -0.62 -1.11 0.00 0.00 177.39 177.32 3gbu s ASP 241 N -6.84 -1.04 0.00 1.96 -1.08 0.62 -5.02 116.67 105.28 3gbu s ASP 241 Ca -0.31 1.37 0.23 0.00 -0.52 0.00 0.00 52.55 53.32 3gbu s ASP 241 Cb 0.09 2.14 0.46 0.00 -1.46 0.00 0.00 42.92 44.15 3gbu s ASP 241 CO 0.64 -0.23 1.42 0.35 0.52 0.00 0.00 175.17 177.86 3gbu n THR 242 N 5.44 0.37 -0.31 1.71 -2.24 -1.26 -4.08 114.28 113.89 3gbu n THR 242 Ca -0.10 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.18 3gbu n THR 242 Cb 0.49 0.94 0.31 0.00 -2.10 0.00 0.00 70.33 69.97 3gbu n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gbu h THR 243 N 4.07 0.55 -0.37 4.28 2.02 -1.91 -1.83 112.91 119.73 3gbu h THR 243 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gbu h THR 243 Cb 0.89 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3gbu h THR 243 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 3gbu n GLY 244 N -1.33 1.70 0.28 2.16 0.00 -1.18 -4.57 105.19 102.26 3gbu n GLY 244 Ca 0.22 -0.72 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 3gbu n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 245 N 4.38 1.02 -0.28 4.61 0.00 -1.62 -1.12 119.26 126.25 3gbu h ALA 245 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gbu h ALA 245 Cb 0.97 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3gbu h ALA 245 CO 0.00 0.12 0.17 0.78 0.00 0.00 0.00 179.25 180.32 3gbu h GLY 246 N 0.78 0.39 2.00 0.00 0.00 -1.81 0.23 103.07 104.66 3gbu h GLY 246 Ca 0.34 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 3gbu h GLY 246 CO -0.19 0.13 -0.46 -0.55 0.00 0.00 0.00 176.54 175.46 3gbu h ASP 247 N 0.35 0.00 -0.30 0.19 3.32 -1.84 -2.76 116.42 115.39 3gbu h ASP 247 Ca 0.11 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 3gbu h ASP 247 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gbu h ASP 247 CO -0.04 0.46 -0.48 0.00 -1.72 0.00 0.00 179.24 177.47 3gbu h ALA 248 N 1.54 0.46 0.00 3.45 0.00 -0.90 -1.20 119.26 122.61 3gbu h ALA 248 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gbu h ALA 248 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gbu h ALA 248 CO 0.06 0.62 0.00 0.34 0.00 0.00 0.00 179.25 180.27 3gbu n PHE 249 N -4.07 0.00 0.00 0.00 7.35 0.77 -1.88 117.46 119.63 3gbu n PHE 249 Ca -0.04 -0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3gbu n PHE 249 Cb 0.59 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.38 3gbu n PHE 249 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gbu n ALA 251 N 0.59 0.00 -0.13 3.13 0.00 -0.45 -1.01 120.51 122.63 3gbu n ALA 251 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3gbu n ALA 251 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 3gbu n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbu h ALA 252 N 0.00 0.54 -0.28 0.00 0.00 -1.64 -1.37 119.26 116.51 3gbu h ALA 252 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3gbu h ALA 252 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gbu h ALA 252 CO 0.00 0.36 0.12 1.25 0.00 0.00 0.00 179.25 180.99 3gbu h LEU 253 N 0.54 0.17 -0.33 0.00 5.85 -1.34 0.17 115.31 120.38 3gbu h LEU 253 Ca 0.10 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3gbu h LEU 253 Cb 0.55 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3gbu h LEU 253 CO 0.03 0.14 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.15 3gbu h LEU 254 N 0.27 0.61 -0.83 2.25 3.38 -1.80 -1.53 115.31 117.65 3gbu h LEU 254 Ca 0.12 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3gbu h LEU 254 Cb 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3gbu h LEU 254 CO -0.10 0.80 0.45 0.58 0.09 0.00 0.00 178.44 180.27 3gbu h VAL 255 N 0.40 1.25 -0.31 1.22 2.07 -1.07 -0.96 116.25 118.84 3gbu h VAL 255 Ca 0.09 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3gbu h VAL 255 Cb 0.52 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3gbu h VAL 255 CO 0.03 0.28 0.20 1.23 0.02 0.00 0.00 177.57 179.32 3gbu h GLY 256 N 1.16 0.45 1.10 2.17 0.00 -0.47 -0.20 103.07 107.29 3gbu h GLY 256 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3gbu h GLY 256 CO -0.05 0.18 0.46 -2.22 0.00 0.00 0.00 176.54 174.91 3gbu h ILE 257 N 0.41 1.25 -0.46 2.60 2.04 -0.93 0.91 117.51 123.32 3gbu h ILE 257 Ca 0.11 -0.61 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 3gbu h ILE 257 Cb -0.01 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3gbu h ILE 257 CO -0.02 0.28 -0.22 0.25 0.00 0.00 0.00 178.15 178.43 3gbu h LEU 258 N 1.18 0.98 0.00 1.44 5.85 -0.79 -3.36 115.31 120.61 3gbu h LEU 258 Ca 0.30 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3gbu h LEU 258 Cb 0.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3gbu h LEU 258 CO -0.05 1.16 -0.44 0.11 -0.34 0.00 0.00 178.44 178.88 3gbu h LYS 259 N 0.82 0.00 -6.26 1.25 1.79 -0.73 -3.46 116.57 109.99 3gbu h LYS 259 Ca 0.11 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.02 3gbu h LYS 259 Cb 0.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3gbu h LYS 259 CO 0.07 0.95 1.12 -0.51 -1.08 0.00 0.00 179.45 180.00 3gbu s LEU 260 N -8.11 4.16 0.00 2.94 1.43 0.29 -4.94 118.68 114.45 3gbu s LEU 260 Ca -0.22 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3gbu s LEU 260 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3gbu s LEU 260 CO 0.63 -1.07 0.68 0.29 0.23 0.00 0.00 176.35 177.10 3gbu n LYS 261 N 7.36 0.00 -1.31 1.70 5.02 -1.26 -4.61 118.16 125.05 3gbu n LYS 261 Ca 0.18 0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 57.11 3gbu n LYS 261 Cb 0.44 -1.04 0.01 0.00 -0.02 0.00 0.00 35.03 34.42 3gbu n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gbu n GLY 262 N -0.98 1.78 2.53 0.72 0.00 -1.26 -4.99 105.19 102.98 3gbu n GLY 262 Ca 0.00 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3gbu n GLY 262 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gbu n LEU 263 N 0.00 7.81 -4.55 0.99 4.77 -1.26 -4.93 117.00 119.82 3gbu n LEU 263 Ca 0.03 -4.98 -0.32 0.00 -0.03 0.00 0.00 56.01 50.71 3gbu n LEU 263 Cb 0.11 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 3gbu n LEU 263 CO 0.07 2.04 1.56 -0.62 -1.33 0.00 0.00 177.39 179.11 3gbu s ASP 264 N -0.08 4.93 0.41 -1.43 -1.08 -1.26 -4.80 116.67 113.36 3gbu s ASP 264 Ca 0.50 0.14 0.10 0.00 -0.52 0.00 0.00 52.55 52.77 3gbu s ASP 264 Cb 0.20 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 40.03 3gbu s ASP 264 CO -0.11 -2.74 2.01 -0.07 0.52 0.00 0.00 175.17 174.77 3gbu h LEU 265 N 18.09 0.46 0.24 -1.34 3.38 -1.98 -0.46 115.31 133.70 3gbu h LEU 265 Ca -0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3gbu h LEU 265 Cb 1.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3gbu h LEU 265 CO 1.18 0.31 -0.11 -0.07 0.09 0.00 0.00 178.44 179.84 3gbu h LEU 266 N 0.53 -0.27 0.02 1.67 3.38 -1.98 0.68 115.31 119.34 3gbu h LEU 266 Ca 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gbu h LEU 266 Cb 0.25 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3gbu h LEU 266 CO -0.06 -0.05 -0.01 0.11 0.09 0.00 0.00 178.44 178.52 3gbu h LYS 267 N -0.48 -0.02 -0.55 1.13 1.57 -1.89 -0.55 116.57 115.77 3gbu h LYS 267 Ca -0.03 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3gbu h LYS 267 Cb 0.36 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3gbu h LYS 267 CO 0.05 -0.01 0.29 1.25 -0.57 0.00 0.00 179.45 180.46 3gbu h LEU 268 N -0.03 0.42 -0.83 2.94 5.85 -1.03 0.01 115.31 122.65 3gbu h LEU 268 Ca -0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3gbu h LEU 268 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3gbu h LEU 268 CO 0.00 0.29 0.40 1.23 -0.34 0.00 0.00 178.44 180.03 3gbu h GLY 269 N 0.56 1.28 0.85 3.75 0.00 0.70 -1.16 103.07 109.04 3gbu h GLY 269 Ca 0.24 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3gbu h GLY 269 CO -0.16 0.60 -0.12 0.50 0.00 0.00 0.00 176.54 177.36 3gbu h LYS 270 N 1.18 0.51 -0.13 4.80 1.57 -0.47 -0.96 116.57 123.07 3gbu h LYS 270 Ca 0.29 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gbu h LYS 270 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3gbu h LYS 270 CO -0.04 0.77 0.07 0.35 -0.57 0.00 0.00 179.45 180.04 3gbu h PHE 271 N 0.23 0.19 -0.52 -1.35 3.57 -0.88 -0.75 116.94 117.42 3gbu h PHE 271 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3gbu h PHE 271 Cb 0.62 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 3gbu h PHE 271 CO 0.06 0.21 0.27 0.00 -2.23 0.00 0.00 178.31 176.62 3gbu h ALA 272 N 0.96 0.68 -0.37 2.41 0.00 -1.22 -1.69 119.26 120.04 3gbu h ALA 272 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gbu h ALA 272 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gbu h ALA 272 CO -0.01 0.22 0.21 -0.97 0.00 0.00 0.00 179.25 178.70 3gbu h ASN 273 N 0.70 0.33 -0.15 0.00 -1.24 -1.03 -0.15 115.58 114.05 3gbu h ASN 273 Ca 0.18 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.21 3gbu h ASN 273 Cb 0.09 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3gbu h ASN 273 CO -0.03 0.24 0.04 0.25 -1.29 0.00 0.00 177.43 176.65 3gbu h LEU 274 N 0.42 0.04 -0.61 0.34 5.85 -0.87 -0.13 115.31 120.35 3gbu h LEU 274 Ca 0.15 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3gbu h LEU 274 Cb 0.02 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3gbu h LEU 274 CO -0.08 0.05 0.30 0.58 -0.34 0.00 0.00 178.44 178.95 3gbu h VAL 275 N 0.11 1.21 -0.02 1.05 2.07 -1.05 -1.64 116.25 117.99 3gbu h VAL 275 Ca 0.07 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3gbu h VAL 275 Cb 0.05 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3gbu h VAL 275 CO -0.07 0.25 0.01 0.00 0.02 0.00 0.00 177.57 177.77 3gbu h ALA 276 N 1.13 0.02 -0.09 1.67 0.00 -0.81 -1.70 119.26 119.48 3gbu h ALA 276 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gbu h ALA 276 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gbu h ALA 276 CO -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 179.25 178.76 3gbu h ALA 277 N 0.81 -0.01 -0.06 0.00 0.00 -0.92 -2.34 119.26 116.74 3gbu h ALA 277 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gbu h ALA 277 Cb 0.20 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gbu h ALA 277 CO -0.00 -0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 178.47 3gbu h LEU 278 N -0.11 0.09 -1.76 0.00 3.38 -1.29 -2.05 115.31 113.56 3gbu h LEU 278 Ca 0.06 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gbu h LEU 278 Cb 0.20 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gbu h LEU 278 CO -0.15 0.27 -0.16 0.77 0.09 0.00 0.00 178.44 179.25 3gbu h SER 279 N 0.09 0.00 0.29 -0.43 4.64 -0.76 -1.48 113.55 115.89 3gbu h SER 279 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3gbu h SER 279 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3gbu h SER 279 CO 0.02 0.16 0.00 0.35 -0.87 0.00 0.00 176.83 176.50 3gbu n THR 280 N -3.87 1.33 1.22 2.95 -2.24 -0.77 -1.52 114.28 111.37 3gbu n THR 280 Ca -0.02 0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.22 3gbu n THR 280 Cb 0.26 -1.18 0.33 0.00 -2.10 0.00 0.00 70.33 67.64 3gbu n THR 280 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbu n GLN 281 N -1.47 0.92 -4.28 -0.78 1.13 -0.56 -0.18 117.38 112.15 3gbu n GLN 281 Ca 0.02 -0.58 -0.29 0.00 -1.94 0.00 0.00 57.00 54.21 3gbu n GLN 281 Cb 0.10 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.85 3gbu n GLN 281 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gbu s LYS 282 N -2.48 1.91 0.26 -1.09 1.02 -0.58 -4.88 119.74 113.91 3gbu s LYS 282 Ca 0.24 -1.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 3gbu s LYS 282 Cb 0.19 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 3gbu s LYS 282 CO 0.52 0.48 0.50 1.03 -0.92 0.00 0.00 175.35 176.97 3gbu s ARG 283 N -2.25 3.59 0.00 1.68 0.52 -1.26 -4.43 118.95 116.80 3gbu s ARG 283 Ca 0.20 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 3gbu s ARG 283 Cb -0.10 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.66 3gbu s ARG 283 CO 0.12 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.12 3gbu n GLY 284 N -0.88 -0.33 0.28 -3.53 0.00 -1.26 -4.56 105.19 94.91 3gbu n GLY 284 Ca -0.03 -1.81 0.17 0.00 0.00 0.00 0.00 46.02 44.35 3gbu n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 285 N 0.00 1.00 -2.42 4.61 0.00 -1.87 -3.11 119.26 117.46 3gbu h ALA 285 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.19 3gbu h ALA 285 Cb 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 3gbu h ALA 285 CO 0.00 0.01 0.03 0.91 0.00 0.00 0.00 179.25 180.20 3gbu n TRP 286 N -3.10 3.60 -0.39 0.00 7.02 -1.26 -4.58 117.44 118.73 3gbu n TRP 286 Ca 0.01 -3.72 0.07 0.00 -1.02 0.00 0.00 57.50 52.83 3gbu n TRP 286 Cb 0.31 -1.04 0.22 0.00 -2.42 0.00 0.00 31.31 28.38 3gbu n TRP 286 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3gbu n SER 287 N 1.68 3.47 -4.72 -0.99 3.41 -1.25 -4.93 113.62 110.28 3gbu n SER 287 Ca 0.25 -2.21 -0.42 0.00 -0.26 0.00 0.00 58.87 56.23 3gbu n SER 287 Cb 0.37 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3gbu n SER 287 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gbu s THR 288 N -1.38 2.96 0.53 6.66 2.01 -1.26 -4.18 115.64 120.98 3gbu s THR 288 Ca 0.34 0.72 -0.19 0.00 0.31 0.00 0.00 61.69 62.86 3gbu s THR 288 Cb 0.20 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 3gbu s THR 288 CO 0.19 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 173.14 3gbu s PRO 289 N 0.66 3.45 0.64 4.92 0.04 -1.26 -4.99 135.00 138.45 3gbu s PRO 289 Ca 0.64 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 3gbu s PRO 289 Cb -0.40 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 3gbu s PRO 289 CO 0.34 -0.76 1.04 1.03 0.04 0.00 0.00 177.00 178.69 3gbu s ARG 290 N -3.31 3.40 0.20 4.56 0.52 -1.26 -4.46 118.95 118.60 3gbu s ARG 290 Ca 0.71 0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 56.63 3gbu s ARG 290 Cb -0.22 -2.05 0.23 0.00 0.52 0.00 0.00 34.95 33.43 3gbu s ARG 290 CO 0.26 -0.73 1.76 -0.22 0.02 0.00 0.00 175.30 176.39 3gbu h LYS 291 N -0.43 0.44 -0.53 3.54 3.64 -1.07 -1.72 116.57 120.44 3gbu h LYS 291 Ca -0.44 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.05 3gbu h LYS 291 Cb 1.20 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3gbu h LYS 291 CO 0.60 0.29 0.37 0.38 -2.27 0.00 0.00 179.45 178.83 3gbu h ASP 292 N 0.46 0.06 0.34 4.20 3.04 -1.93 0.91 116.42 123.50 3gbu h ASP 292 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 3gbu h ASP 292 Cb 0.29 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 3gbu h ASP 292 CO -0.25 0.04 -0.11 -0.62 -2.04 0.00 0.00 179.24 176.25 3gbu n GLU 293 N -4.40 0.73 -0.03 4.15 1.02 -0.66 -4.09 120.64 117.36 3gbu n GLU 293 Ca 0.09 -0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.00 3gbu n GLU 293 Cb 0.55 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 3gbu n GLU 293 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gbu n LEU 294 N -0.91 0.00 -0.19 -4.62 4.77 0.29 -4.60 117.00 111.74 3gbu n LEU 294 Ca 0.15 0.00 0.29 0.00 -0.03 0.00 0.00 56.01 56.42 3gbu n LEU 294 Cb 0.28 0.11 0.73 0.00 -2.33 0.00 0.00 43.42 42.21 3gbu n LEU 294 CO 0.23 0.11 1.27 -0.07 -1.33 0.00 0.00 177.39 177.61 3gbu h LEU 295 N 0.00 0.00 -0.14 2.23 3.38 -1.65 0.86 115.31 119.99 3gbu h LEU 295 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gbu h LEU 295 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3gbu h LEU 295 CO 0.01 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.83 3gbu n LYS 296 N -4.21 0.81 -5.17 1.13 2.85 -1.26 -4.67 118.16 107.63 3gbu n LYS 296 Ca 0.19 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.13 3gbu n LYS 296 Cb 1.00 -1.06 -0.17 0.00 -0.65 0.00 0.00 35.03 34.16 3gbu n LYS 296 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3gbu s TYR 297 N -1.86 2.58 0.12 5.58 2.02 0.29 -5.03 117.35 121.05 3gbu s TYR 297 Ca 0.00 -0.98 -0.17 0.00 -0.37 0.00 0.00 57.07 55.55 3gbu s TYR 297 Cb 0.00 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3gbu s TYR 297 CO 0.00 -0.38 1.66 1.57 -1.57 0.00 0.00 175.55 176.83 3gbu h LYS 298 N 6.66 0.48 -0.05 -0.62 2.10 -1.86 0.17 116.57 123.45 3gbu h LYS 298 Ca -0.21 -0.09 0.01 0.00 -2.00 0.00 0.00 60.65 58.37 3gbu h LYS 298 Cb 1.23 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3gbu h LYS 298 CO 0.48 0.48 0.09 0.93 -2.00 0.00 0.00 179.45 179.44 3gbu h GLU 299 N 0.37 0.00 0.01 0.07 3.07 -1.95 -2.27 114.58 113.89 3gbu h GLU 299 Ca 0.11 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.62 3gbu h GLU 299 Cb 0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 3gbu h GLU 299 CO -0.01 0.00 -2.16 0.00 -1.40 0.00 0.00 179.01 175.44 3gbu n ALA 300 N -2.19 1.42 -0.30 3.43 0.00 -0.92 -4.31 120.51 117.64 3gbu n ALA 300 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 53.44 52.38 3gbu n ALA 300 Cb 0.18 -0.42 0.20 0.00 0.00 0.00 0.00 19.45 19.40 3gbu n ALA 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbu h ARG 301 N 0.01 1.11 0.80 0.00 3.08 -0.37 0.12 114.38 119.13 3gbu h ARG 301 Ca -0.46 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 3gbu h ARG 301 Cb 2.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.90 3gbu h ARG 301 CO 0.03 0.73 -0.43 0.93 -1.07 0.00 0.00 179.97 180.16 3gbu h GLU 302 N 1.14 -1.10 -0.59 0.04 5.08 -1.74 -3.21 114.58 114.21 3gbu h GLU 302 Ca 0.35 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 3gbu h GLU 302 Cb -0.02 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3gbu h GLU 302 CO -0.10 -0.73 0.32 0.28 -1.00 0.00 0.00 179.01 177.78 3gbu h VAL 303 N -1.14 1.19 -0.00 3.13 2.07 -1.71 -3.48 116.25 116.31 3gbu h VAL 303 Ca -0.11 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3gbu h VAL 303 Cb 0.89 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3gbu h VAL 303 CO 0.15 0.21 0.00 0.18 0.02 0.00 0.00 177.57 178.13