#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buq s LEU 5 N 0.00 4.15 0.15 4.31 1.02 -1.26 -5.11 118.68 121.94 2buq s LEU 5 Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 54.13 54.10 2buq s LEU 5 Cb 0.00 -2.72 -0.06 0.00 0.02 0.00 0.00 46.19 43.42 2buq s LEU 5 CO 0.00 0.03 0.46 -0.54 0.02 0.00 0.00 176.35 176.32 2buq s LYS 6 N -3.36 3.78 0.46 1.70 1.02 -1.26 -5.04 119.74 117.04 2buq s LYS 6 Ca 0.33 0.20 -0.25 0.00 0.02 0.00 0.00 55.97 56.27 2buq s LYS 6 Cb -0.10 -2.85 -0.08 0.00 -0.52 0.00 0.00 37.83 34.28 2buq s LYS 6 CO 0.27 0.45 1.43 -1.91 -0.92 0.00 0.00 175.35 174.67 2buq n GLU 7 N 0.40 2.20 -1.71 1.68 2.13 -1.26 -4.91 120.64 119.17 2buq n GLU 7 Ca -0.04 0.79 -0.43 0.00 0.66 0.00 0.00 57.16 58.13 2buq n GLU 7 Cb 0.52 -2.62 -0.03 0.00 0.27 0.00 0.00 31.44 29.58 2buq n GLU 7 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2buq n THR 8 N -0.28 0.36 -2.33 6.31 -1.04 -1.26 -4.92 114.28 111.12 2buq n THR 8 Ca 0.06 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.61 2buq n THR 8 Cb 0.42 -1.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 2buq n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2buq s PRO 9 N 0.51 3.89 0.62 -2.82 0.04 -1.26 -5.01 135.00 130.97 2buq s PRO 9 Ca 0.73 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2buq s PRO 9 Cb -0.56 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 2buq s PRO 9 CO 0.40 -0.43 1.06 0.45 0.04 0.00 0.00 177.00 178.52 2buq s SER 10 N -1.39 5.65 0.05 6.66 0.15 -1.26 -5.07 113.70 118.49 2buq s SER 10 Ca 0.61 1.77 -0.03 0.00 0.70 0.00 0.00 55.95 59.00 2buq s SER 10 Cb -0.27 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.49 2buq s SER 10 CO 0.33 -1.26 0.04 -1.10 1.20 0.00 0.00 173.24 172.46 2buq s GLN 11 N -4.34 0.62 0.75 5.44 -1.52 -1.20 -4.93 119.66 114.47 2buq s GLN 11 Ca 0.62 -0.99 -0.15 0.00 -1.95 0.00 0.00 55.36 52.88 2buq s GLN 11 Cb -0.15 0.23 0.03 0.00 -0.22 0.00 0.00 33.01 32.89 2buq s GLN 11 CO 0.42 -0.14 1.03 -2.37 -0.25 0.00 0.00 175.29 173.98 2buq n THR 12 N 0.39 2.66 0.21 -0.19 5.66 -1.23 -4.75 114.28 117.04 2buq n THR 12 Ca -0.16 -0.33 0.09 0.00 -3.05 0.00 0.00 64.05 60.59 2buq n THR 12 Cb 0.60 -1.14 0.36 0.00 -1.55 0.00 0.00 70.33 68.60 2buq n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2buq h GLY 13 N -0.42 0.00 -0.10 1.09 0.00 -1.73 -3.50 103.07 98.41 2buq h GLY 13 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.87 2buq h GLY 13 CO 0.47 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.59 2buq n GLY 14 N 0.41 -1.97 0.12 4.60 0.00 -1.26 -4.06 105.19 103.03 2buq n GLY 14 Ca 0.01 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2buq n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2buq n PRO 15 N -2.55 0.18 -0.78 1.61 -0.04 -1.26 -2.92 135.00 129.25 2buq n PRO 15 Ca -0.00 0.40 0.02 0.00 -0.04 0.00 0.00 63.50 63.88 2buq n PRO 15 Cb 0.02 -1.84 0.30 0.00 -0.04 0.00 0.00 33.50 31.93 2buq n PRO 15 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2buq n TYR 16 N -2.19 1.71 0.26 0.54 4.01 -1.26 -4.61 117.16 115.62 2buq n TYR 16 Ca 0.02 -1.05 0.14 0.00 -0.16 0.00 0.00 57.90 56.85 2buq n TYR 16 Cb 0.23 -0.51 0.62 0.00 -0.31 0.00 0.00 39.34 39.38 2buq n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2buq h VAL 17 N 2.41 0.06 0.00 -0.72 3.04 -1.67 -0.24 116.25 119.13 2buq h VAL 17 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2buq h VAL 17 Cb 1.89 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2buq h VAL 17 CO 0.48 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 177.49 2buq h HIS 18 N 0.00 0.00 -0.60 3.17 3.86 -1.90 -1.42 115.15 118.26 2buq h HIS 18 Ca 0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2buq h HIS 18 Cb 1.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 2buq h HIS 18 CO 0.00 0.00 0.13 0.82 0.86 0.00 0.00 177.93 179.74 2buq h ILE 19 N 0.00 1.25 0.00 2.45 2.04 -1.30 -0.30 117.51 121.66 2buq h ILE 19 Ca 0.00 -0.94 -0.13 0.00 1.00 0.00 0.00 64.86 64.80 2buq h ILE 19 Cb 0.57 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2buq h ILE 19 CO 0.00 0.35 -1.94 0.61 0.00 0.00 0.00 178.15 177.17 2buq n GLY 20 N -0.61 -1.07 0.01 5.37 0.00 -1.09 -3.90 105.19 103.90 2buq n GLY 20 Ca 0.03 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2buq n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2buq n LEU 21 N -2.52 0.04 -3.15 0.99 4.77 -0.55 -4.69 117.00 111.89 2buq n LEU 21 Ca -0.12 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 2buq n LEU 21 Cb 0.77 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.82 2buq n LEU 21 CO 0.44 0.01 -0.22 0.18 -1.33 0.00 0.00 177.39 176.47 2buq n LEU 22 N -2.08 0.15 -0.13 2.23 4.77 -0.18 -4.88 117.00 116.88 2buq n LEU 22 Ca -0.03 -4.70 0.24 0.00 -0.03 0.00 0.00 56.01 51.50 2buq n LEU 22 Cb 0.45 0.69 0.68 0.00 -2.33 0.00 0.00 43.42 42.91 2buq n LEU 22 CO 0.37 2.15 1.23 1.55 -1.33 0.00 0.00 177.39 181.36 2buq h PRO 23 N 3.58 0.07 -0.11 3.23 0.13 -1.51 0.16 132.00 137.55 2buq h PRO 23 Ca 0.06 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2buq h PRO 23 Cb 0.93 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2buq h PRO 23 CO 0.46 0.04 -0.10 0.87 -0.23 0.00 0.00 178.00 179.04 2buq h LYS 24 N 0.07 0.17 0.00 0.86 1.57 -1.85 0.15 116.57 117.54 2buq h LYS 24 Ca 0.38 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2buq h LYS 24 Cb 1.40 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2buq h LYS 24 CO -0.03 0.28 -0.07 0.37 -0.57 0.00 0.00 179.45 179.43 2buq h GLN 25 N 0.17 0.00 -0.71 3.15 4.15 -0.98 -0.85 115.11 120.04 2buq h GLN 25 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2buq h GLN 25 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2buq h GLN 25 CO 0.02 0.07 0.00 0.00 -1.93 0.00 0.00 178.83 176.98 2buq n ALA 26 N -2.13 2.40 -3.21 3.38 0.00 -0.46 -4.95 120.51 115.53 2buq n ALA 26 Ca 0.01 -1.24 -0.16 0.00 0.00 0.00 0.00 53.44 52.05 2buq n ALA 26 Cb 0.35 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.92 2buq n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2buq n ASN 27 N 1.56 -4.41 -3.99 0.00 3.02 -0.33 -5.03 115.26 106.08 2buq n ASN 27 Ca 0.24 -0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 54.09 2buq n ASN 27 Cb 0.60 -3.67 -0.16 0.00 -0.61 0.00 0.00 39.78 35.94 2buq n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buq s ILE 28 N -3.23 1.62 -0.94 2.41 1.01 0.40 -4.99 121.20 117.48 2buq s ILE 28 Ca 0.32 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2buq s ILE 28 Cb -0.14 -1.70 0.24 0.00 0.01 0.00 0.00 42.46 40.87 2buq s ILE 28 CO 0.51 0.17 0.89 -1.61 0.00 0.00 0.00 174.94 174.89 2buq s GLU 29 N 1.41 3.70 -0.06 2.79 2.02 -1.26 -3.69 118.70 123.60 2buq s GLU 29 Ca -0.01 -2.95 0.12 0.00 0.02 0.00 0.00 54.97 52.15 2buq s GLU 29 Cb -0.16 -4.33 -0.18 0.00 0.10 0.00 0.00 34.13 29.57 2buq s GLU 29 CO -0.08 -1.25 0.18 1.33 0.02 0.00 0.00 175.26 175.46 2buq n VAL 30 N 3.06 0.33 -4.36 2.63 0.24 -1.26 -5.01 118.33 113.97 2buq n VAL 30 Ca 0.19 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 2buq n VAL 30 Cb 0.41 -0.16 -0.09 0.00 -1.47 0.00 0.00 33.84 32.52 2buq n VAL 30 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2buq s PHE 31 N -2.64 3.07 -0.04 6.34 2.99 -1.26 -5.02 117.98 121.43 2buq s PHE 31 Ca -0.05 0.10 -0.26 0.00 0.00 0.00 0.00 56.93 56.72 2buq s PHE 31 Cb 0.06 -1.70 -0.21 0.00 0.00 0.00 0.00 43.02 41.17 2buq s PHE 31 CO 0.51 0.44 1.17 1.49 -0.00 0.00 0.00 175.22 178.84 2buq h GLU 32 N 4.68 -0.01 -5.01 0.44 4.81 -2.02 -3.42 114.58 114.05 2buq h GLU 32 Ca -0.49 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.11 2buq h GLU 32 Cb 1.18 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.41 2buq h GLU 32 CO 0.56 0.55 -0.50 -1.01 -0.73 0.00 0.00 179.01 177.88 2buq s HIS 33 N -3.90 3.27 0.09 0.92 3.76 -1.26 -5.09 115.29 113.08 2buq s HIS 33 Ca -0.16 0.19 0.07 0.00 -0.15 0.00 0.00 55.06 55.01 2buq s HIS 33 Cb 0.01 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2buq s HIS 33 CO 0.67 -0.05 -0.11 -0.80 -0.85 0.00 0.00 174.74 173.60 2buq s ASN 34 N 1.39 4.36 0.14 1.40 0.01 -1.26 -5.11 114.94 115.86 2buq s ASN 34 Ca 0.08 -0.38 -0.17 0.00 -0.71 0.00 0.00 52.86 51.68 2buq s ASN 34 Cb -0.15 -0.83 -0.07 0.00 0.41 0.00 0.00 41.25 40.61 2buq s ASN 34 CO 0.08 0.19 0.60 -0.76 -1.51 0.00 0.00 177.10 175.70 2buq s LEU 35 N -2.10 4.41 0.00 0.60 1.43 -1.26 -5.05 118.68 116.71 2buq s LEU 35 Ca 0.20 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2buq s LEU 35 Cb -0.11 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2buq s LEU 35 CO 0.13 0.15 0.00 -0.90 0.23 0.00 0.00 176.35 175.95 2buq n ASP 36 N 1.10 0.00 -1.40 2.29 5.68 -1.26 -4.88 116.55 118.08 2buq n ASP 36 Ca -0.06 -0.36 0.08 0.00 -0.50 0.00 0.00 54.79 53.95 2buq n ASP 36 Cb 0.51 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.80 2buq n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2buq n ASN 37 N -0.73 4.12 -4.25 -1.12 6.94 -0.80 -1.41 115.26 118.01 2buq n ASN 37 Ca 0.00 -2.39 -0.38 0.00 -0.02 0.00 0.00 54.58 51.79 2buq n ASN 37 Cb 0.00 -0.53 -0.12 0.00 -2.36 0.00 0.00 39.78 36.77 2buq n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2buq s ASN 38 N -0.82 5.38 0.00 0.53 3.04 -1.26 -1.56 114.94 120.26 2buq s ASN 38 Ca 0.43 -1.37 0.25 0.00 0.04 0.00 0.00 52.86 52.21 2buq s ASN 38 Cb 0.28 -1.89 0.43 0.00 -1.54 0.00 0.00 41.25 38.52 2buq s ASN 38 CO 0.20 -0.41 1.36 0.18 -3.04 0.00 0.00 177.10 175.39 2buq n LEU 39 N 4.81 1.66 -4.62 3.21 4.32 -0.40 -4.87 117.00 121.10 2buq n LEU 39 Ca -0.10 -0.55 -0.39 0.00 -0.02 0.00 0.00 56.01 54.94 2buq n LEU 39 Cb 0.44 -0.05 -0.08 0.00 -1.62 0.00 0.00 43.42 42.11 2buq n LEU 39 CO 0.34 0.30 0.18 -0.69 -1.22 0.00 0.00 177.39 176.30 2buq s VAL 40 N -2.40 5.11 0.37 4.08 1.01 -1.25 -4.62 120.40 122.71 2buq s VAL 40 Ca 0.24 0.78 0.07 0.00 0.00 0.00 0.00 61.98 63.07 2buq s VAL 40 Cb 0.19 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2buq s VAL 40 CO 0.50 0.13 0.49 -1.10 0.00 0.00 0.00 175.10 175.12 2buq s GLN 41 N 2.08 2.95 0.22 2.72 -0.21 -1.26 -5.00 119.66 121.17 2buq s GLN 41 Ca 0.19 -1.15 -0.07 0.00 0.02 0.00 0.00 55.36 54.35 2buq s GLN 41 Cb -0.16 -2.75 0.33 0.00 1.00 0.00 0.00 33.01 31.44 2buq s GLN 41 CO 0.09 -0.07 1.78 0.38 -2.12 0.00 0.00 175.29 175.34 2buq h ASP 42 N 0.83 0.45 -0.36 5.90 2.03 -1.97 -2.20 116.42 121.10 2buq h ASP 42 Ca -0.43 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2buq h ASP 42 Cb 1.27 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2buq h ASP 42 CO 0.50 0.26 0.00 0.59 -1.03 0.00 0.00 179.24 179.56 2buq n ASN 43 N -4.87 2.10 -4.76 4.15 4.13 -1.26 -4.94 115.26 109.81 2buq n ASN 43 Ca 0.11 -2.04 -0.41 0.00 1.68 0.00 0.00 54.58 53.92 2buq n ASN 43 Cb 0.27 -0.28 -0.02 0.00 -1.54 0.00 0.00 39.78 38.21 2buq n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2buq s THR 44 N -1.54 2.70 0.34 3.41 2.01 -0.83 -4.86 115.64 116.87 2buq s THR 44 Ca 0.25 0.64 -0.15 0.00 0.31 0.00 0.00 61.69 62.74 2buq s THR 44 Cb 0.14 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.15 2buq s THR 44 CO 0.16 0.13 0.75 -1.10 -0.69 0.00 0.00 174.62 173.87 2buq s GLN 45 N -1.04 3.98 0.00 4.92 -0.21 -1.26 -4.92 119.66 121.14 2buq s GLN 45 Ca 0.54 0.67 0.00 0.00 0.02 0.00 0.00 55.36 56.59 2buq s GLN 45 Cb -0.41 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.19 2buq s GLN 45 CO 0.48 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2buq n GLY 46 N -0.51 1.53 3.66 3.09 0.00 -1.26 -4.51 105.19 107.19 2buq n GLY 46 Ca 0.04 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2buq n GLY 46 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2buq s GLN 47 N -1.49 4.26 0.08 1.61 0.74 -1.26 -4.95 119.66 118.65 2buq s GLN 47 Ca 0.00 1.37 -0.30 0.00 0.05 0.00 0.00 55.36 56.48 2buq s GLN 47 Cb 0.00 -3.64 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 2buq s GLN 47 CO 0.00 -0.63 1.17 1.03 -0.55 0.00 0.00 175.29 176.31 2buq s ARG 48 N 3.20 4.47 0.09 1.67 3.00 -1.26 -1.11 118.95 129.01 2buq s ARG 48 Ca 0.44 1.74 0.00 0.00 0.00 0.00 0.00 55.73 57.92 2buq s ARG 48 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 34.95 31.42 2buq s ARG 48 CO 0.06 -0.18 -0.02 0.96 0.00 0.00 0.00 175.30 176.13 2buq s ILE 49 N 0.78 0.38 -0.08 1.52 -4.36 -0.02 -4.47 121.20 114.96 2buq s ILE 49 Ca 0.56 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 59.10 2buq s ILE 49 Cb -0.29 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 2buq s ILE 49 CO 0.30 -0.81 -0.18 -0.60 0.24 0.00 0.00 174.94 173.89 2buq s ARG 50 N -3.92 2.84 -0.14 0.37 3.52 -0.16 -1.15 118.95 120.31 2buq s ARG 50 Ca 0.13 -0.77 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2buq s ARG 50 Cb 0.07 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2buq s ARG 50 CO -0.05 0.38 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.54 2buq s LEU 51 N -0.13 2.77 0.13 -0.88 2.96 -0.56 -0.38 118.68 122.58 2buq s LEU 51 Ca -0.03 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 2buq s LEU 51 Cb -0.14 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.92 2buq s LEU 51 CO 0.04 0.15 0.28 -1.83 -1.32 0.00 0.00 176.35 173.67 2buq s GLU 52 N 0.44 1.02 0.00 1.98 -1.05 -0.65 -1.03 118.70 119.41 2buq s GLU 52 Ca -0.09 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 2buq s GLU 52 Cb -0.16 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2buq s GLU 52 CO 0.05 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.30 2buq n GLY 53 N -0.16 -1.03 3.22 -3.83 0.00 -0.98 -0.17 105.19 102.25 2buq n GLY 53 Ca -0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2buq n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buq s GLN 54 N -0.93 1.01 -0.12 1.61 -0.21 -1.26 -1.36 119.66 118.40 2buq s GLN 54 Ca 0.00 -1.45 0.01 0.00 0.02 0.00 0.00 55.36 53.94 2buq s GLN 54 Cb 0.00 -0.36 -0.01 0.00 1.00 0.00 0.00 33.01 33.64 2buq s GLN 54 CO 0.00 -0.03 -0.15 0.08 -2.12 0.00 0.00 175.29 173.06 2buq s VAL 55 N -3.54 2.84 0.04 1.09 1.01 -1.26 -0.90 120.40 119.67 2buq s VAL 55 Ca 0.18 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2buq s VAL 55 Cb 0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2buq s VAL 55 CO 0.00 0.53 -0.11 -0.36 0.00 0.00 0.00 175.10 175.16 2buq s PHE 56 N 0.30 2.74 0.39 5.22 0.40 0.28 -0.66 117.98 126.66 2buq s PHE 56 Ca -0.12 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2buq s PHE 56 Cb -0.16 -1.51 0.08 0.00 0.51 0.00 0.00 43.02 41.94 2buq s PHE 56 CO 0.06 0.35 0.54 -0.40 0.70 0.00 0.00 175.22 176.47 2buq n ASP 57 N 1.31 0.62 0.05 1.36 5.68 -0.49 -1.15 116.55 123.94 2buq n ASP 57 Ca -0.15 -1.55 0.08 0.00 -0.50 0.00 0.00 54.79 52.67 2buq n ASP 57 Cb 0.52 -0.36 0.33 0.00 -1.14 0.00 0.00 41.12 40.48 2buq n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2buq n GLY 58 N 0.95 -0.98 0.77 6.12 0.00 -1.26 -1.66 105.19 109.13 2buq n GLY 58 Ca 0.09 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2buq n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2buq n LEU 59 N -1.77 2.39 0.00 0.99 4.77 -1.26 -4.90 117.00 117.22 2buq n LEU 59 Ca 0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2buq n LEU 59 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2buq n LEU 59 CO 0.13 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2buq n GLY 60 N 1.29 0.62 3.88 -0.72 0.00 -0.66 -5.06 105.19 104.53 2buq n GLY 60 Ca 0.17 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2buq n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buq s LEU 61 N 0.00 4.39 0.56 0.99 1.43 -1.26 -4.81 118.68 119.98 2buq s LEU 61 Ca 0.00 0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 2buq s LEU 61 Cb 0.00 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 2buq s LEU 61 CO 0.00 0.30 1.12 -2.16 0.23 0.00 0.00 176.35 175.85 2buq s PRO 62 N -1.50 3.29 -0.22 1.29 0.04 -1.26 -1.39 135.00 135.25 2buq s PRO 62 Ca 0.24 1.57 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 2buq s PRO 62 Cb -0.13 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2buq s PRO 62 CO 0.13 -0.89 0.70 -0.51 0.04 0.00 0.00 177.00 176.47 2buq s LEU 63 N -3.94 4.11 -0.11 -3.56 1.02 0.17 -4.85 118.68 111.52 2buq s LEU 63 Ca 0.72 0.89 0.18 0.00 0.02 0.00 0.00 54.13 55.94 2buq s LEU 63 Cb -0.23 -2.99 0.72 0.00 0.02 0.00 0.00 46.19 43.71 2buq s LEU 63 CO 0.29 -0.37 1.63 0.54 0.02 0.00 0.00 176.35 178.46 2buq n ARG 64 N 5.48 3.73 -0.46 1.70 1.74 -1.26 -4.20 116.66 123.38 2buq n ARG 64 Ca 0.01 -2.89 0.03 0.00 -0.77 0.00 0.00 57.85 54.23 2buq n ARG 64 Cb 0.49 -1.89 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2buq n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2buq n ASP 65 N 1.13 0.66 -4.80 0.55 5.68 -1.26 -4.34 116.55 114.17 2buq n ASP 65 Ca 0.26 -2.30 -0.36 0.00 -0.50 0.00 0.00 54.79 51.88 2buq n ASP 65 Cb 0.89 -0.27 -0.06 0.00 -1.14 0.00 0.00 41.12 40.54 2buq n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2buq s VAL 66 N -0.76 4.36 -0.11 2.12 0.11 -1.26 -4.61 120.40 120.25 2buq s VAL 66 Ca 0.10 1.59 0.01 0.00 -2.93 0.00 0.00 61.98 60.76 2buq s VAL 66 Cb 0.10 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2buq s VAL 66 CO -0.00 0.14 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.55 2buq s LEU 67 N -2.09 2.67 0.01 2.54 2.96 0.23 -2.37 118.68 122.63 2buq s LEU 67 Ca 0.48 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2buq s LEU 67 Cb -0.17 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2buq s LEU 67 CO 0.22 0.21 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.58 2buq s ILE 68 N 0.10 1.94 0.10 6.68 -1.09 -0.11 -1.07 121.20 127.75 2buq s ILE 68 Ca -0.06 -1.17 0.06 0.00 -2.23 0.00 0.00 60.65 57.24 2buq s ILE 68 Cb -0.15 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 2buq s ILE 68 CO 0.05 0.43 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.43 2buq s GLU 69 N -0.88 0.94 0.12 2.79 2.02 -0.67 -0.98 118.70 122.03 2buq s GLU 69 Ca 0.10 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.05 2buq s GLU 69 Cb -0.09 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.17 2buq s GLU 69 CO 0.00 0.20 -0.16 0.96 0.02 0.00 0.00 175.26 176.28 2buq s ILE 70 N -1.62 1.42 -0.03 -1.63 -4.36 -0.88 -1.43 121.20 112.66 2buq s ILE 70 Ca 0.04 -1.65 -0.00 0.00 -0.26 0.00 0.00 60.65 58.77 2buq s ILE 70 Cb -0.08 -1.50 0.03 0.00 1.25 0.00 0.00 42.46 42.16 2buq s ILE 70 CO 0.03 -0.32 0.02 0.86 0.24 0.00 0.00 174.94 175.77 2buq s TRP 71 N -1.84 0.21 0.25 1.37 -0.00 -0.24 -2.54 118.94 116.16 2buq s TRP 71 Ca 0.08 0.07 -0.17 0.00 -0.00 0.00 0.00 56.10 56.08 2buq s TRP 71 Cb -0.07 -0.41 0.01 0.00 -0.00 0.00 0.00 33.47 33.00 2buq s TRP 71 CO 0.04 -0.15 0.59 1.14 -0.00 0.00 0.00 176.95 178.56 2buq s GLN 72 N 1.36 1.61 0.61 5.86 -2.07 -0.27 -1.25 119.66 125.51 2buq s GLN 72 Ca -0.05 -1.07 -0.03 0.00 -1.82 0.00 0.00 55.36 52.39 2buq s GLN 72 Cb -0.13 0.54 0.04 0.00 -1.09 0.00 0.00 33.01 32.37 2buq s GLN 72 CO -0.03 -0.70 0.87 0.00 -1.32 0.00 0.00 175.29 174.11 2buq s ALA 73 N -3.95 3.53 1.00 2.60 0.00 -1.26 -4.60 121.76 119.08 2buq s ALA 73 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2buq s ALA 73 Cb -0.03 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2buq s ALA 73 CO 0.06 -0.94 0.00 -0.40 0.00 0.00 0.00 175.76 174.48 2buq n ASP 74 N -2.57 -0.32 0.29 0.00 5.68 -0.02 -4.51 116.55 115.11 2buq n ASP 74 Ca 0.07 -0.78 0.17 0.00 -0.50 0.00 0.00 54.79 53.75 2buq n ASP 74 Cb 0.60 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.45 2buq n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2buq h THR 75 N -1.11 0.21 -0.65 2.12 1.03 -1.81 -1.21 112.91 111.49 2buq h THR 75 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 2buq h THR 75 Cb 0.00 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 2buq h THR 75 CO 0.00 0.04 0.00 0.59 -0.01 0.00 0.00 175.52 176.14 2buq n ASN 76 N -3.29 4.58 -1.10 0.00 3.02 -1.26 -3.14 115.26 114.06 2buq n ASN 76 Ca -0.01 -2.37 -0.09 0.00 -0.03 0.00 0.00 54.58 52.08 2buq n ASN 76 Cb 0.20 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2buq n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buq n GLY 77 N 1.18 0.06 3.34 7.41 0.00 -0.73 -4.74 105.19 111.70 2buq n GLY 77 Ca 0.25 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2buq n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buq s VAL 78 N -2.53 2.69 0.21 1.61 1.01 -1.26 -4.55 120.40 117.58 2buq s VAL 78 Ca 0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 2buq s VAL 78 Cb -0.02 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 2buq s VAL 78 CO 0.04 0.55 0.79 -0.31 0.00 0.00 0.00 175.10 176.17 2buq s TYR 79 N 0.13 3.79 -1.39 5.22 1.51 -1.26 -0.84 117.35 124.51 2buq s TYR 79 Ca -0.09 1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 57.45 2buq s TYR 79 Cb -0.15 -2.75 0.09 0.00 -0.11 0.00 0.00 41.96 39.04 2buq s TYR 79 CO 0.05 0.41 2.18 -0.35 -1.11 0.00 0.00 175.55 176.73 2buq n PRO 80 N 1.14 3.46 -3.85 -1.71 -0.04 -1.26 -4.72 135.00 128.02 2buq n PRO 80 Ca -0.03 -3.05 -0.12 0.00 -0.04 0.00 0.00 63.50 60.26 2buq n PRO 80 Cb 0.50 -3.01 -0.13 0.00 -0.04 0.00 0.00 33.50 30.82 2buq n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2buq s SER 81 N 1.77 -0.06 0.65 3.54 0.15 -1.26 -4.96 113.70 113.54 2buq s SER 81 Ca 0.47 0.11 0.43 0.00 0.70 0.00 0.00 55.95 57.67 2buq s SER 81 Cb 0.13 0.15 2.32 0.00 -1.71 0.00 0.00 66.02 66.91 2buq s SER 81 CO -0.05 -0.05 2.33 1.56 1.20 0.00 0.00 173.24 178.23 2buq h GLN 82 N 5.92 0.00 -0.00 5.44 4.20 -2.05 -0.93 115.11 127.68 2buq h GLN 82 Ca -0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2buq h GLN 82 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2buq h GLN 82 CO 0.46 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.57 2buq n ALA 83 N -2.08 2.64 -2.44 3.87 0.00 -1.26 -4.79 120.51 116.45 2buq n ALA 83 Ca -0.03 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2buq n ALA 83 Cb 0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 2buq n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2buq s ASP 84 N -2.43 7.05 -0.16 0.00 2.15 -0.36 -4.91 116.67 118.01 2buq s ASP 84 Ca 0.32 1.89 0.16 0.00 0.43 0.00 0.00 52.55 55.34 2buq s ASP 84 Cb 0.20 -2.56 0.62 0.00 -0.30 0.00 0.00 42.92 40.88 2buq s ASP 84 CO 0.45 -0.55 1.54 0.35 -0.17 0.00 0.00 175.17 176.79 2buq n THR 85 N 4.40 2.17 0.43 1.71 -2.24 -1.26 -4.59 114.28 114.90 2buq n THR 85 Ca 0.10 -1.51 0.13 0.00 -2.27 0.00 0.00 64.05 60.51 2buq n THR 85 Cb 0.46 -0.09 0.48 0.00 -2.10 0.00 0.00 70.33 69.09 2buq n THR 85 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2buq h GLN 86 N 2.90 0.00 -0.04 -0.78 4.20 -1.98 -3.46 115.11 115.95 2buq h GLN 86 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2buq h GLN 86 Cb 1.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 2buq h GLN 86 CO 0.27 0.00 -0.02 0.41 -0.67 0.00 0.00 178.83 178.82 2buq n GLY 87 N 0.38 0.42 3.75 3.46 0.00 -1.26 -5.00 105.19 106.94 2buq n GLY 87 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2buq n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buq s LYS 88 N -0.85 2.72 0.09 1.61 1.02 -1.26 -5.09 119.74 117.98 2buq s LYS 88 Ca 0.00 -0.98 -0.26 0.00 0.02 0.00 0.00 55.97 54.74 2buq s LYS 88 Cb 0.00 -2.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 2buq s LYS 88 CO 0.00 0.46 0.82 -1.14 -0.92 0.00 0.00 175.35 174.58 2buq s GLN 88 N -3.14 4.58 0.40 1.68 0.74 -1.26 -5.04 119.66 117.62 2buq s GLN 88 Ca 0.30 1.20 -0.06 0.00 0.05 0.00 0.00 55.36 56.85 2buq s GLN 88 Cb -0.09 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 2buq s GLN 88 CO 0.22 0.34 0.70 0.54 -0.55 0.00 0.00 175.29 176.54 2buq s VAL 88 N -0.32 4.93 0.08 1.34 0.11 -1.26 -4.98 120.40 120.30 2buq s VAL 88 Ca 0.40 0.19 -0.31 0.00 -2.93 0.00 0.00 61.98 59.33 2buq s VAL 88 Cb -0.22 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 30.72 2buq s VAL 88 CO 0.26 -0.61 1.88 -0.67 -3.33 0.00 0.00 175.10 172.62 2buq n ASP 88 N -1.67 4.01 0.00 3.54 -0.08 -1.26 -4.86 116.55 116.24 2buq n ASP 88 Ca -0.00 0.96 0.10 0.00 -1.51 0.00 0.00 54.79 54.34 2buq n ASP 88 Cb 0.55 -1.52 0.45 0.00 2.34 0.00 0.00 41.12 42.94 2buq n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2buq n PRO 88 N 6.26 0.05 -2.50 -0.67 -0.04 -1.26 -3.52 135.00 133.33 2buq n PRO 88 Ca 0.19 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.48 2buq n PRO 88 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2buq n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buq n ASN 88 N -1.46 5.48 -3.62 3.54 3.02 -1.26 -4.95 115.26 116.00 2buq n ASN 88 Ca 0.06 -3.73 -0.10 0.00 -0.03 0.00 0.00 54.58 50.78 2buq n ASN 88 Cb 0.23 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 2buq n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2buq s PHE 89 N -3.71 -0.71 0.10 3.10 5.36 -1.23 -4.36 117.98 116.54 2buq s PHE 89 Ca 0.48 1.29 0.08 0.00 -0.96 0.00 0.00 56.93 57.82 2buq s PHE 89 Cb 0.36 0.18 -0.21 0.00 -0.34 0.00 0.00 43.02 43.01 2buq s PHE 89 CO -0.22 -0.48 1.24 1.25 -1.46 0.00 0.00 175.22 175.55 2buq h LEU 90 N 8.20 0.00 0.00 6.12 5.85 -1.91 -3.45 115.31 130.12 2buq h LEU 90 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2buq h LEU 90 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2buq h LEU 90 CO 0.14 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 2buq n GLY 91 N 1.36 1.71 3.10 3.75 0.00 -1.26 -4.78 105.19 109.06 2buq n GLY 91 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 2buq n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2buq s TRP 92 N -3.49 0.84 0.23 1.61 -0.00 -1.26 -1.11 118.94 115.76 2buq s TRP 92 Ca 0.00 -0.49 -0.17 0.00 -0.00 0.00 0.00 56.10 55.44 2buq s TRP 92 Cb 0.00 -0.49 0.02 0.00 -0.00 0.00 0.00 33.47 33.00 2buq s TRP 92 CO 0.00 -0.04 0.55 0.20 -0.00 0.00 0.00 176.95 177.66 2buq s GLY 93 N -1.65 0.11 -0.00 5.86 0.00 -1.05 -4.81 107.32 105.77 2buq s GLY 93 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2buq s GLY 93 CO 0.01 -0.34 0.01 -1.60 0.00 0.00 0.00 173.10 171.18 2buq s ARG 94 N -3.93 0.08 0.19 2.90 3.52 -0.50 -2.08 118.95 119.13 2buq s ARG 94 Ca 0.14 -0.09 -0.08 0.00 -0.13 0.00 0.00 55.73 55.57 2buq s ARG 94 Cb -0.02 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.39 2buq s ARG 94 CO 0.03 -0.01 0.30 -0.08 -0.81 0.00 0.00 175.30 174.73 2buq s THR 95 N -0.26 0.04 0.12 4.11 -1.32 -0.16 -1.90 115.64 116.27 2buq s THR 95 Ca -0.03 -1.52 0.08 0.00 -1.21 0.00 0.00 61.69 59.01 2buq s THR 95 Cb -0.02 -2.06 -0.04 0.00 -1.51 0.00 0.00 72.50 68.87 2buq s THR 95 CO -0.00 -0.17 -0.19 -0.83 -2.21 0.00 0.00 174.62 171.22 2buq s GLY 96 N -3.02 1.24 0.59 6.08 0.00 -1.26 -0.93 107.32 110.01 2buq s GLY 96 Ca 0.23 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.47 2buq s GLY 96 CO 0.05 -1.33 1.12 0.00 0.00 0.00 0.00 173.10 172.93 2buq s ALA 97 N -1.55 2.61 0.26 3.20 0.00 -1.00 -4.71 121.76 120.59 2buq s ALA 97 Ca 0.09 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2buq s ALA 97 Cb -0.08 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2buq s ALA 97 CO 0.05 -0.95 1.43 0.34 0.00 0.00 0.00 175.76 176.62 2buq s ASP 98 N -2.12 6.64 0.56 0.00 2.15 -0.24 -4.80 116.67 118.85 2buq s ASP 98 Ca 0.70 2.70 0.26 0.00 0.43 0.00 0.00 52.55 56.64 2buq s ASP 98 Cb -0.22 -2.63 1.63 0.00 -0.30 0.00 0.00 42.92 41.40 2buq s ASP 98 CO 0.33 -0.70 2.20 -0.26 -0.17 0.00 0.00 175.17 176.57 2buq h PHE 99 N 4.76 0.00 0.04 -5.34 0.05 -1.92 0.13 116.94 114.65 2buq h PHE 99 Ca -0.47 0.00 -0.38 0.00 3.82 0.00 0.00 57.97 60.95 2buq h PHE 99 Cb 1.22 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.12 2buq h PHE 99 CO 0.59 0.02 -2.20 0.41 -0.18 0.00 0.00 178.31 176.95 2buq n GLY 100 N -1.28 -0.49 0.08 -1.45 0.00 -1.26 -4.70 105.19 96.08 2buq n GLY 100 Ca -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 2buq n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2buq n THR 101 N -3.64 1.10 -0.45 2.61 -2.24 -1.19 -5.00 114.28 105.47 2buq n THR 101 Ca -0.42 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 2buq n THR 101 Cb 0.95 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2buq n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2buq n GLY 102 N 1.61 0.93 3.76 3.38 0.00 0.44 -4.91 105.19 110.41 2buq n GLY 102 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 2buq n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2buq s PHE 103 N -3.00 3.54 0.19 1.61 0.40 -1.26 -4.40 117.98 115.06 2buq s PHE 103 Ca 0.00 1.71 0.08 0.00 -0.60 0.00 0.00 56.93 58.12 2buq s PHE 103 Cb 0.00 -3.20 -0.05 0.00 0.51 0.00 0.00 43.02 40.28 2buq s PHE 103 CO 0.00 -0.45 -0.15 1.67 0.70 0.00 0.00 175.22 176.99 2buq s TRP 104 N -1.31 1.72 0.07 0.36 1.48 -0.47 -1.08 118.94 119.72 2buq s TRP 104 Ca 0.48 -0.54 -0.23 0.00 -1.06 0.00 0.00 56.10 54.74 2buq s TRP 104 Cb -0.28 -0.82 0.06 0.00 -1.16 0.00 0.00 33.47 31.27 2buq s TRP 104 CO 0.36 0.35 0.55 -1.54 -4.06 0.00 0.00 176.95 172.60 2buq s SER 105 N -3.13 -0.48 0.04 -2.66 1.04 -1.26 -2.32 113.70 104.94 2buq s SER 105 Ca 0.20 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.82 2buq s SER 105 Cb -0.02 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2buq s SER 105 CO 0.07 -0.78 -0.11 -0.36 0.98 0.00 0.00 173.24 173.04 2buq s PHE 106 N -2.75 0.92 -0.29 5.02 0.40 -0.20 -4.86 117.98 116.23 2buq s PHE 106 Ca -0.04 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 2buq s PHE 106 Cb -0.00 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 2buq s PHE 106 CO -0.04 -0.01 0.14 -0.80 0.70 0.00 0.00 175.22 175.21 2buq s ASN 107 N -1.34 5.54 0.00 1.36 0.01 -0.60 -1.50 114.94 118.41 2buq s ASN 107 Ca -0.04 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 2buq s ASN 107 Cb -0.09 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.57 2buq s ASN 107 CO 0.01 -0.11 0.00 1.07 -1.51 0.00 0.00 177.10 176.56 2buq n THR 108 N 4.99 0.00 -4.51 1.60 5.66 -0.30 -1.27 114.28 120.45 2buq n THR 108 Ca -0.15 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.57 2buq n THR 108 Cb 0.50 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 2buq n THR 108 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2buq s ILE 109 N -1.57 2.10 -0.20 1.09 1.09 -1.26 -0.84 121.20 121.61 2buq s ILE 109 Ca 0.00 -1.60 -0.29 0.00 -1.10 0.00 0.00 60.65 57.66 2buq s ILE 109 Cb 0.00 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.54 2buq s ILE 109 CO 0.00 0.14 1.32 -0.75 -0.10 0.00 0.00 174.94 175.55 2buq s LYS 110 N -1.78 4.11 0.54 2.79 2.20 -0.26 -4.86 119.74 122.47 2buq s LYS 110 Ca 0.12 1.58 -0.20 0.00 -0.36 0.00 0.00 55.97 57.10 2buq s LYS 110 Cb -0.10 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 2buq s LYS 110 CO 0.05 -0.88 1.19 -1.25 -0.36 0.00 0.00 175.35 174.09 2buq s PRO 111 N 3.81 3.29 0.74 4.03 0.04 -1.26 -4.60 135.00 141.05 2buq s PRO 111 Ca 0.57 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 2buq s PRO 111 Cb -0.21 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2buq s PRO 111 CO 0.19 -0.94 1.12 0.20 0.04 0.00 0.00 177.00 177.61 2buq s GLY 112 N -1.54 1.62 0.40 0.56 0.00 -0.54 -4.70 107.32 103.11 2buq s GLY 112 Ca 0.72 -0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 2buq s GLY 112 CO 0.33 -0.02 1.16 0.00 0.00 0.00 0.00 173.10 174.57 2buq s ALA 113 N -3.42 3.16 0.05 3.20 0.00 -1.26 -4.04 121.76 119.45 2buq s ALA 113 Ca 0.59 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.58 2buq s ALA 113 Cb -0.11 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2buq s ALA 113 CO 0.51 -0.51 -0.19 0.08 0.00 0.00 0.00 175.76 175.65 2buq s VAL 114 N -1.42 2.72 0.47 0.00 1.01 -1.24 -4.20 120.40 117.73 2buq s VAL 114 Ca 0.57 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.07 2buq s VAL 114 Cb -0.30 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 2buq s VAL 114 CO 0.38 0.32 1.37 -2.84 0.00 0.00 0.00 175.10 174.33 2buq s PRO 115 N -1.48 3.59 0.15 2.72 0.02 -1.26 -0.67 135.00 138.07 2buq s PRO 115 Ca 0.15 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.47 2buq s PRO 115 Cb -0.10 -2.55 0.02 0.00 0.02 0.00 0.00 34.50 31.89 2buq s PRO 115 CO 0.05 -0.85 0.21 0.41 -0.33 0.00 0.00 177.00 176.49 2buq n GLY 116 N 0.63 1.99 3.81 0.52 0.00 0.36 -4.59 105.19 107.91 2buq n GLY 116 Ca 0.06 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 2buq n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buq s ARG 117 N -2.69 3.30 -1.31 1.61 0.52 -1.26 -4.06 118.95 115.06 2buq s ARG 117 Ca 0.16 1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 56.37 2buq s ARG 117 Cb -0.01 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2buq s ARG 117 CO 0.10 -0.82 0.55 1.63 0.02 0.00 0.00 175.30 176.78 2buq n LYS 118 N -2.29 -2.46 -0.87 3.54 5.02 -1.26 -1.92 118.16 117.93 2buq n LYS 118 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2buq n LYS 118 Cb 0.53 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.27 2buq n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buq n GLY 119 N -1.90 0.37 3.93 0.72 0.00 -1.26 -5.00 105.19 102.06 2buq n GLY 119 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2buq n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2buq s SER 120 N -2.25 4.03 -0.09 1.61 1.04 -0.81 -4.90 113.70 112.33 2buq s SER 120 Ca 0.00 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.78 2buq s SER 120 Cb 0.00 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.46 2buq s SER 120 CO 0.00 -2.14 -0.15 -0.89 0.98 0.00 0.00 173.24 171.04 2buq s THR 121 N -3.55 1.42 0.36 2.02 2.01 -1.26 -0.48 115.64 116.16 2buq s THR 121 Ca 0.67 -0.63 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 2buq s THR 121 Cb -0.07 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 2buq s THR 121 CO 0.49 0.42 0.74 -1.10 -0.69 0.00 0.00 174.62 174.48 2buq s GLN 122 N 0.71 3.87 0.61 4.92 -0.21 0.16 -4.56 119.66 125.16 2buq s GLN 122 Ca -0.13 0.54 -0.15 0.00 0.02 0.00 0.00 55.36 55.64 2buq s GLN 122 Cb -0.16 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 2buq s GLN 122 CO 0.03 0.07 1.05 0.00 -2.12 0.00 0.00 175.29 174.32 2buq s ALA 123 N -2.18 2.74 0.22 6.09 0.00 -1.26 -3.72 121.76 123.66 2buq s ALA 123 Ca 0.52 0.33 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 2buq s ALA 123 Cb -0.10 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 2buq s ALA 123 CO 0.25 -0.86 1.34 -2.30 0.00 0.00 0.00 175.76 174.19 2buq n PRO 124 N -2.21 1.80 -3.45 0.00 -0.02 -1.26 -4.73 135.00 125.14 2buq n PRO 124 Ca 0.08 0.64 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 2buq n PRO 124 Cb 0.53 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.73 2buq n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2buq s HIS 125 N -0.11 -0.50 -0.08 6.00 -3.43 -1.26 -4.31 115.29 111.60 2buq s HIS 125 Ca 0.69 0.29 0.05 0.00 -0.80 0.00 0.00 55.06 55.29 2buq s HIS 125 Cb -0.70 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 30.96 2buq s HIS 125 CO 0.51 -0.83 -0.24 0.42 -2.00 0.00 0.00 174.74 172.59 2buq s ILE 126 N -3.72 2.08 -0.01 -5.38 1.01 -0.55 -4.70 121.20 109.93 2buq s ILE 126 Ca 0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 2buq s ILE 126 Cb -0.01 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2buq s ILE 126 CO -0.13 0.57 0.59 -0.44 0.00 0.00 0.00 174.94 175.53 2buq s SER 127 N 0.07 6.96 0.02 3.58 0.01 -0.38 -1.22 113.70 122.74 2buq s SER 127 Ca -0.11 1.15 0.04 0.00 1.31 0.00 0.00 55.95 58.34 2buq s SER 127 Cb -0.16 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 2buq s SER 127 CO 0.06 0.10 -0.12 -0.22 0.41 0.00 0.00 173.24 173.47 2buq s LEU 128 N -0.18 2.13 0.03 2.44 0.20 -0.49 -1.08 118.68 121.73 2buq s LEU 128 Ca 0.31 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 54.79 2buq s LEU 128 Cb -0.18 -0.51 -0.02 0.00 -0.43 0.00 0.00 46.19 45.05 2buq s LEU 128 CO 0.17 0.03 -0.12 -0.51 -0.29 0.00 0.00 176.35 175.63 2buq s ILE 129 N -0.71 0.92 -0.09 6.68 2.07 -0.52 -0.81 121.20 128.74 2buq s ILE 129 Ca 0.01 -0.87 0.04 0.00 -1.41 0.00 0.00 60.65 58.42 2buq s ILE 129 Cb -0.07 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.68 2buq s ILE 129 CO 0.01 -0.02 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.17 2buq s ILE 130 N -0.79 1.93 0.03 2.00 1.01 -0.45 -1.66 121.20 123.26 2buq s ILE 130 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.77 2buq s ILE 130 Cb -0.07 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2buq s ILE 130 CO 0.01 0.53 -0.19 -0.36 0.00 0.00 0.00 174.94 174.92 2buq s PHE 131 N 0.37 1.71 0.01 3.97 0.40 -0.23 -1.83 117.98 122.37 2buq s PHE 131 Ca -0.18 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.50 2buq s PHE 131 Cb -0.18 -1.04 0.10 0.00 0.51 0.00 0.00 43.02 42.42 2buq s PHE 131 CO 0.08 0.05 1.15 0.00 0.70 0.00 0.00 175.22 177.20 2buq s ALA 132 N -0.70 -2.01 0.37 5.36 0.00 -1.26 -0.60 121.76 122.92 2buq s ALA 132 Ca 0.07 0.66 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 2buq s ALA 132 Cb -0.08 0.39 -0.12 0.00 0.00 0.00 0.00 23.12 23.31 2buq s ALA 132 CO 0.01 -0.96 1.05 -2.13 0.00 0.00 0.00 175.76 173.72 2buq n ARG 133 N -0.41 1.46 0.00 0.00 0.63 -1.24 -1.66 116.66 115.44 2buq n ARG 133 Ca -0.07 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2buq n ARG 133 Cb 0.62 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.50 2buq n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2buq n GLY 134 N 1.14 2.88 3.43 5.14 0.00 -1.26 -4.94 105.19 111.58 2buq n GLY 134 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2buq n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buq s ILE 135 N -1.98 4.52 0.03 -0.61 1.01 -0.66 -4.97 121.20 118.54 2buq s ILE 135 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.35 2buq s ILE 135 Cb 0.00 -3.28 -0.11 0.00 0.01 0.00 0.00 42.46 39.09 2buq s ILE 135 CO 0.00 0.11 1.36 0.78 0.00 0.00 0.00 174.94 177.18 2buq h ASN 136 N 8.32 0.00 -3.65 3.58 2.35 -1.90 -3.36 115.58 120.92 2buq h ASN 136 Ca -0.33 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.10 2buq h ASN 136 Cb 1.15 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.21 2buq h ASN 136 CO 0.61 0.81 -0.74 -0.63 -1.65 0.00 0.00 177.43 175.82 2buq s ILE 137 N -2.84 0.22 0.14 2.81 1.01 -1.26 -3.27 121.20 118.00 2buq s ILE 137 Ca 0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 60.65 60.31 2buq s ILE 137 Cb 0.09 -0.25 -0.16 0.00 0.01 0.00 0.00 42.46 42.15 2buq s ILE 137 CO 0.79 0.11 1.14 0.61 0.00 0.00 0.00 174.94 177.59 2buq n GLY 138 N 3.61 -0.04 3.65 6.18 0.00 -1.26 -4.93 105.19 112.40 2buq n GLY 138 Ca -0.20 0.57 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 2buq n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buq s LEU 139 N 0.71 4.11 -0.11 0.99 1.43 -0.76 -4.88 118.68 120.17 2buq s LEU 139 Ca 0.76 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 2buq s LEU 139 Cb -0.92 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 2buq s LEU 139 CO 0.52 -0.12 0.24 -1.00 0.23 0.00 0.00 176.35 176.22 2buq s HIS 140 N 1.59 3.57 0.25 0.29 3.76 -1.26 -1.33 115.29 122.15 2buq s HIS 140 Ca 0.18 0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 55.71 2buq s HIS 140 Cb -0.15 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2buq s HIS 140 CO 0.08 0.53 0.34 -2.37 -0.85 0.00 0.00 174.74 172.47 2buq n THR 141 N 2.56 0.00 -4.05 1.30 5.66 0.01 -0.54 114.28 119.22 2buq n THR 141 Ca -0.16 -1.28 -0.11 0.00 -3.05 0.00 0.00 64.05 59.45 2buq n THR 141 Cb 0.53 0.78 -0.11 0.00 -1.55 0.00 0.00 70.33 69.98 2buq n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2buq s ARG 142 N -2.59 0.50 -0.19 1.09 0.52 -1.26 -1.40 118.95 115.62 2buq s ARG 142 Ca 0.21 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.58 2buq s ARG 142 Cb -0.01 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.39 2buq s ARG 142 CO 0.15 -0.01 -0.14 0.08 0.02 0.00 0.00 175.30 175.40 2buq s VAL 143 N -1.97 2.60 0.49 3.52 1.01 -0.36 -4.75 120.40 120.94 2buq s VAL 143 Ca -0.08 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2buq s VAL 143 Cb -0.06 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2buq s VAL 143 CO -0.02 0.49 0.41 -0.31 0.00 0.00 0.00 175.10 175.68 2buq s TYR 144 N 1.34 2.07 -0.08 5.22 1.51 0.12 -1.49 117.35 126.04 2buq s TYR 144 Ca 0.05 -0.68 0.04 0.00 -1.01 0.00 0.00 57.07 55.46 2buq s TYR 144 Cb -0.14 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 2buq s TYR 144 CO -0.09 -0.36 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.73 2buq s PHE 145 N -2.64 2.60 0.41 2.71 0.40 -1.26 -0.22 117.98 119.98 2buq s PHE 145 Ca 0.42 -0.63 0.29 0.00 -0.60 0.00 0.00 56.93 56.41 2buq s PHE 145 Cb -0.02 -1.68 1.51 0.00 0.51 0.00 0.00 43.02 43.33 2buq s PHE 145 CO 0.25 -0.16 2.09 0.38 0.70 0.00 0.00 175.22 178.48 2buq h ASP 146 N 6.17 0.00 -0.03 1.36 2.03 -1.64 -1.75 116.42 122.56 2buq h ASP 146 Ca -0.31 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2buq h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2buq h ASP 146 CO 0.50 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.91 2buq n ASP 147 N -3.59 0.20 -2.40 4.15 3.85 -1.26 -3.70 116.55 113.80 2buq n ASP 147 Ca -0.02 -1.70 -0.29 0.00 -0.71 0.00 0.00 54.79 52.07 2buq n ASP 147 Cb 0.23 -0.02 0.02 0.00 -1.35 0.00 0.00 41.12 40.00 2buq n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2buq n GLU 148 N -0.54 3.33 -0.14 0.11 -0.58 -0.66 -4.86 120.64 117.30 2buq n GLU 148 Ca 0.08 -4.17 -0.04 0.00 -0.42 0.00 0.00 57.16 52.61 2buq n GLU 148 Cb 0.07 -2.26 0.02 0.00 -0.57 0.00 0.00 31.44 28.69 2buq n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2buq h ALA 149 N 2.48 0.25 0.02 0.62 0.00 -1.76 0.18 119.26 121.05 2buq h ALA 149 Ca 0.38 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2buq h ALA 149 Cb 0.95 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2buq h ALA 149 CO 0.97 -0.48 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 2buq h GLU 150 N -0.03 -0.03 -0.65 0.00 5.08 -1.94 -1.59 114.58 115.42 2buq h GLU 150 Ca 0.21 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2buq h GLU 150 Cb 0.36 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2buq h GLU 150 CO -0.48 -0.00 0.15 0.00 -1.00 0.00 0.00 179.01 177.68 2buq h ALA 151 N 0.93 1.04 -0.56 3.43 0.00 -1.85 -3.01 119.26 119.24 2buq h ALA 151 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2buq h ALA 151 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2buq h ALA 151 CO 0.01 0.63 0.11 -0.91 0.00 0.00 0.00 179.25 179.09 2buq h ASN 152 N 0.98 0.83 -0.05 0.00 2.35 -0.46 -1.90 115.58 117.33 2buq h ASN 152 Ca 0.21 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2buq h ASN 152 Cb 0.36 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2buq h ASN 152 CO 0.00 0.82 0.04 0.00 -1.65 0.00 0.00 177.43 176.65 2buq h ALA 153 N 1.28 1.80 -0.03 -0.83 0.00 -1.15 -2.10 119.26 118.22 2buq h ALA 153 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2buq h ALA 153 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2buq h ALA 153 CO 0.00 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.82 2buq n LYS 154 N -4.15 1.51 -2.00 0.00 5.02 -0.80 -4.93 118.16 112.81 2buq n LYS 154 Ca -0.02 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.27 2buq n LYS 154 Cb 0.14 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2buq n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2buq s ASP 155 N -1.48 6.65 0.16 4.39 -1.08 -0.78 -4.89 116.67 119.63 2buq s ASP 155 Ca 0.21 2.50 -0.15 0.00 -0.52 0.00 0.00 52.55 54.59 2buq s ASP 155 Cb 0.15 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 39.05 2buq s ASP 155 CO 0.22 -0.79 1.80 -0.65 0.52 0.00 0.00 175.17 176.27 2buq h PRO 156 N 7.16 0.59 -0.23 4.34 0.11 -1.91 -1.56 132.00 140.52 2buq h PRO 156 Ca -0.42 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2buq h PRO 156 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2buq h PRO 156 CO 0.91 0.42 -0.04 0.28 -0.21 0.00 0.00 178.00 179.36 2buq h VAL 157 N 0.60 1.28 -0.82 3.15 2.07 -1.97 -2.27 116.25 118.28 2buq h VAL 157 Ca 0.16 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2buq h VAL 157 Cb -0.04 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2buq h VAL 157 CO -0.03 0.31 0.54 -0.07 0.02 0.00 0.00 177.57 178.33 2buq h LEU 158 N 0.16 0.95 0.00 2.57 3.38 -1.88 -0.96 115.31 119.54 2buq h LEU 158 Ca 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2buq h LEU 158 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2buq h LEU 158 CO 0.02 0.69 0.00 0.59 0.09 0.00 0.00 178.44 179.83 2buq n ASN 159 N -4.50 0.00 -0.61 -0.43 3.02 -0.59 -2.15 115.26 110.00 2buq n ASN 159 Ca 0.08 0.30 0.13 0.00 -0.03 0.00 0.00 54.58 55.07 2buq n ASN 159 Cb 0.02 -0.40 0.41 0.00 -0.61 0.00 0.00 39.78 39.20 2buq n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2buq n SER 160 N -1.40 1.90 -4.52 6.41 3.41 -0.37 -4.69 113.62 114.36 2buq n SER 160 Ca 0.05 -1.64 -0.43 0.00 -0.26 0.00 0.00 58.87 56.60 2buq n SER 160 Cb 0.14 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 2buq n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buq s ILE 161 N -1.98 4.84 0.13 -1.33 1.01 -0.91 -4.94 121.20 118.01 2buq s ILE 161 Ca 0.35 0.17 0.29 0.00 0.00 0.00 0.00 60.65 61.46 2buq s ILE 161 Cb 0.21 -4.19 0.31 0.00 0.01 0.00 0.00 42.46 38.80 2buq s ILE 161 CO 0.32 -0.56 1.91 1.05 0.00 0.00 0.00 174.94 177.66 2buq h GLU 162 N 8.83 0.00 -5.32 2.79 4.11 -1.88 -3.38 114.58 119.73 2buq h GLU 162 Ca -0.26 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.53 2buq h GLU 162 Cb 1.10 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.19 2buq h GLU 162 CO 0.89 0.11 0.45 -1.58 0.07 0.00 0.00 179.01 178.94 2buq s TRP 163 N -3.68 2.75 0.47 2.06 0.51 -1.26 -4.91 118.94 114.88 2buq s TRP 163 Ca 0.01 -0.58 0.12 0.00 -2.12 0.00 0.00 56.10 53.53 2buq s TRP 163 Cb 0.10 -4.19 1.08 0.00 -0.81 0.00 0.00 33.47 29.64 2buq s TRP 163 CO 0.59 -1.54 2.10 0.00 -0.51 0.00 0.00 176.95 177.59 2buq h ALA 164 N 9.46 1.85 0.00 0.98 0.00 -1.98 -1.44 119.26 128.12 2buq h ALA 164 Ca -0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2buq h ALA 164 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2buq h ALA 164 CO 1.15 0.13 -0.07 0.00 0.00 0.00 0.00 179.25 180.47 2buq h THR 165 N 0.22 0.67 0.00 0.00 1.03 -1.94 -2.69 112.91 110.21 2buq h THR 165 Ca 0.06 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 2buq h THR 165 Cb 0.01 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 2buq h THR 165 CO -0.01 0.06 -0.29 0.03 -0.01 0.00 0.00 175.52 175.31 2buq h ARG 166 N 0.00 0.00 -0.63 0.00 3.08 -1.65 -3.28 114.38 111.89 2buq h ARG 166 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2buq h ARG 166 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2buq h ARG 166 CO 0.01 0.00 0.42 0.00 -1.07 0.00 0.00 179.97 179.33 2buq h ARG 167 N 0.00 0.69 0.00 0.04 3.08 -1.57 -1.79 114.38 114.84 2buq h ARG 167 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2buq h ARG 167 Cb 0.91 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2buq h ARG 167 CO 0.00 0.46 -0.04 -0.56 -1.07 0.00 0.00 179.97 178.75 2buq h GLN 168 N 0.71 0.00 0.00 0.04 3.07 -1.73 -1.11 115.11 116.09 2buq h GLN 168 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.00 2buq h GLN 168 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2buq h GLN 168 CO -0.07 0.04 0.00 0.25 0.09 0.00 0.00 178.83 179.14 2buq n THR 169 N -3.49 0.96 0.56 1.86 -2.24 -0.67 -2.27 114.28 108.99 2buq n THR 169 Ca -0.02 0.46 0.12 0.00 -2.27 0.00 0.00 64.05 62.34 2buq n THR 169 Cb 0.16 -1.42 0.24 0.00 -2.10 0.00 0.00 70.33 67.21 2buq n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2buq n LEU 170 N -2.21 3.05 -4.48 3.22 4.77 -0.42 -4.81 117.00 116.12 2buq n LEU 170 Ca 0.01 -1.29 -0.39 0.00 -0.03 0.00 0.00 56.01 54.30 2buq n LEU 170 Cb 0.14 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 2buq n LEU 170 CO 0.15 0.64 -0.17 -0.69 -1.33 0.00 0.00 177.39 175.99 2buq s VAL 171 N -1.59 4.89 0.45 4.08 1.01 -0.96 0.11 120.40 128.39 2buq s VAL 171 Ca 0.37 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2buq s VAL 171 Cb 0.21 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 2buq s VAL 171 CO 0.30 0.05 0.99 0.00 0.00 0.00 0.00 175.10 176.44 2buq s ALA 172 N 1.66 2.97 -0.23 5.51 0.00 0.69 -4.84 121.76 127.52 2buq s ALA 172 Ca 0.05 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.40 2buq s ALA 172 Cb -0.17 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2buq s ALA 172 CO 0.08 -0.06 0.15 0.15 0.00 0.00 0.00 175.76 176.08 2buq s LYS 173 N -3.20 4.06 0.12 0.00 1.02 -0.83 -1.65 119.74 119.26 2buq s LYS 173 Ca 0.64 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.06 2buq s LYS 173 Cb -0.12 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 2buq s LYS 173 CO 0.16 0.08 1.07 0.50 -0.92 0.00 0.00 175.35 176.24 2buq s ARG 174 N 0.99 4.58 0.19 1.68 3.52 -1.26 -1.03 118.95 127.63 2buq s ARG 174 Ca 0.07 1.63 0.01 0.00 -0.13 0.00 0.00 55.73 57.31 2buq s ARG 174 Cb -0.13 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2buq s ARG 174 CO 0.04 0.03 0.06 -1.21 -0.81 0.00 0.00 175.30 173.41 2buq s GLU 175 N 0.16 1.16 -0.42 5.12 2.02 0.17 -4.97 118.70 121.94 2buq s GLU 175 Ca 0.51 -1.59 0.02 0.00 0.02 0.00 0.00 54.97 53.92 2buq s GLU 175 Cb -0.27 -0.06 0.14 0.00 0.10 0.00 0.00 34.13 34.04 2buq s GLU 175 CO 0.32 -0.25 0.25 -1.21 0.02 0.00 0.00 175.26 174.39 2buq s GLU 176 N -4.02 1.06 -0.63 1.61 2.02 -1.26 -1.16 118.70 116.33 2buq s GLU 176 Ca 0.30 -1.85 -0.22 0.00 0.02 0.00 0.00 54.97 53.23 2buq s GLU 176 Cb 0.07 -1.97 0.08 0.00 0.10 0.00 0.00 34.13 32.40 2buq s GLU 176 CO 0.07 -1.20 0.88 1.03 0.02 0.00 0.00 175.26 176.07 2buq s ARG 177 N 0.49 3.10 -0.61 1.61 3.00 -0.53 -4.26 118.95 121.75 2buq s ARG 177 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 55.73 54.98 2buq s ARG 177 Cb -0.21 -4.23 0.00 0.00 0.00 0.00 0.00 34.95 30.51 2buq s ARG 177 CO -0.02 -1.72 0.00 -0.25 0.00 0.00 0.00 175.30 173.32 2buq n ASP 178 N 7.29 -3.64 0.00 0.23 8.00 -1.26 -2.40 116.55 124.77 2buq n ASP 178 Ca -0.05 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2buq n ASP 178 Cb 0.45 -1.70 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2buq n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buq n GLY 179 N -2.23 0.89 3.82 0.44 0.00 -1.26 -5.04 105.19 101.81 2buq n GLY 179 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2buq n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buq s GLU 180 N -0.65 4.14 -0.20 1.61 2.02 -1.01 -5.06 118.70 119.55 2buq s GLU 180 Ca 0.00 0.67 -0.16 0.00 0.02 0.00 0.00 54.97 55.49 2buq s GLU 180 Cb 0.00 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2buq s GLU 180 CO 0.00 0.63 0.42 0.08 0.02 0.00 0.00 175.26 176.41 2buq s VAL 181 N -1.14 5.18 -0.05 2.63 1.01 -1.26 -1.45 120.40 125.32 2buq s VAL 181 Ca 0.29 0.75 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2buq s VAL 181 Cb -0.19 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2buq s VAL 181 CO 0.18 0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.64 2buq s VAL 182 N 1.34 1.63 -0.16 2.92 1.01 -0.31 -0.99 120.40 125.84 2buq s VAL 182 Ca 0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2buq s VAL 182 Cb -0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2buq s VAL 182 CO 0.08 0.46 -0.09 -0.31 0.00 0.00 0.00 175.10 175.24 2buq s TYR 183 N -0.02 2.89 -0.20 5.22 1.51 0.49 0.42 117.35 127.65 2buq s TYR 183 Ca -0.04 -0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 55.18 2buq s TYR 183 Cb -0.12 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2buq s TYR 183 CO 0.03 -0.30 0.28 0.50 -1.11 0.00 0.00 175.55 174.95 2buq s ARG 184 N 0.70 4.16 -0.24 -0.62 6.06 -0.20 -1.63 118.95 127.18 2buq s ARG 184 Ca -0.05 -0.00 -0.02 0.00 -2.50 0.00 0.00 55.73 53.16 2buq s ARG 184 Cb -0.15 -3.50 0.08 0.00 0.06 0.00 0.00 34.95 31.43 2buq s ARG 184 CO 0.02 0.08 0.07 0.12 -2.50 0.00 0.00 175.30 173.09 2buq s PHE 185 N 0.96 1.11 0.06 5.12 5.36 0.76 -1.96 117.98 129.38 2buq s PHE 185 Ca 0.14 -1.11 -0.09 0.00 -0.96 0.00 0.00 56.93 54.91 2buq s PHE 185 Cb -0.14 -1.21 -0.05 0.00 -0.34 0.00 0.00 43.02 41.28 2buq s PHE 185 CO 0.05 -0.72 0.36 -0.51 -1.46 0.00 0.00 175.22 172.94 2buq s ASP 186 N 1.83 6.60 -0.12 6.13 1.01 -1.26 -4.06 116.67 126.80 2buq s ASP 186 Ca 0.04 0.73 0.01 0.00 0.71 0.00 0.00 52.55 54.04 2buq s ASP 186 Cb -0.17 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 2buq s ASP 186 CO -0.18 0.20 -0.16 -0.63 0.21 0.00 0.00 175.17 174.62 2buq s ILE 187 N -1.36 2.82 -0.28 0.77 1.01 -0.08 -4.97 121.20 119.12 2buq s ILE 187 Ca 0.31 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2buq s ILE 187 Cb -0.14 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.22 2buq s ILE 187 CO 0.17 0.54 -0.06 -0.13 0.00 0.00 0.00 174.94 175.46 2buq s ARG 188 N 0.30 2.35 0.34 2.79 0.52 -1.26 -0.56 118.95 123.43 2buq s ARG 188 Ca -0.12 -1.30 0.14 0.00 -0.52 0.00 0.00 55.73 53.94 2buq s ARG 188 Cb -0.16 -3.02 0.62 0.00 0.52 0.00 0.00 34.95 32.91 2buq s ARG 188 CO 0.06 -0.58 1.74 0.82 0.02 0.00 0.00 175.30 177.36 2buq h ILE 189 N 6.61 1.20 -2.61 1.52 2.04 -1.42 -0.24 117.51 124.61 2buq h ILE 189 Ca -0.21 -1.60 -0.11 0.00 1.00 0.00 0.00 64.86 63.94 2buq h ILE 189 Cb 1.05 1.89 -0.24 0.00 -0.74 0.00 0.00 36.82 38.79 2buq h ILE 189 CO 0.50 0.44 -0.17 -1.58 0.00 0.00 0.00 178.15 177.33 2buq s GLN 190 N -3.84 0.54 0.00 2.37 0.74 -1.26 -4.79 119.66 113.42 2buq s GLN 190 Ca -0.02 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.05 2buq s GLN 190 Cb 0.13 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.49 2buq s GLN 190 CO 0.72 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 2buq n GLY 191 N 2.88 0.21 3.76 2.59 0.00 -1.26 -4.35 105.19 109.02 2buq n GLY 191 Ca -0.14 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 2buq n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buq s GLU 192 N 0.00 4.52 -1.65 1.61 2.02 -1.26 -2.60 118.70 121.34 2buq s GLU 192 Ca 0.00 1.95 -0.02 0.00 0.02 0.00 0.00 54.97 56.92 2buq s GLU 192 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.08 2buq s GLU 192 CO 0.00 0.03 0.29 0.09 0.02 0.00 0.00 175.26 175.69 2buq n ASN 193 N 1.31 -5.89 -4.69 -0.19 3.02 -1.26 -4.89 115.26 102.67 2buq n ASN 193 Ca 0.00 -0.14 -0.44 0.00 -0.03 0.00 0.00 54.58 53.97 2buq n ASN 193 Cb 0.44 -4.84 -0.03 0.00 -0.61 0.00 0.00 39.78 34.74 2buq n ASN 193 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2buq n GLU 194 N -3.50 2.25 -2.20 3.52 2.13 -1.07 -4.66 120.64 117.11 2buq n GLU 194 Ca -0.18 0.80 -0.40 0.00 0.66 0.00 0.00 57.16 58.05 2buq n GLU 194 Cb 0.65 -2.53 -0.02 0.00 0.27 0.00 0.00 31.44 29.82 2buq n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buq s THR 195 N 0.25 2.91 0.21 6.31 2.01 -0.10 -4.95 115.64 122.29 2buq s THR 195 Ca 0.70 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 2buq s THR 195 Cb -0.61 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 2buq s THR 195 CO 0.46 0.15 1.43 -0.69 -0.69 0.00 0.00 174.62 175.28 2buq s VAL 196 N -1.25 2.84 0.04 3.82 1.01 -1.26 -4.94 120.40 120.67 2buq s VAL 196 Ca 0.52 0.67 0.09 0.00 0.00 0.00 0.00 61.98 63.26 2buq s VAL 196 Cb -0.36 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2buq s VAL 196 CO 0.46 0.09 -0.24 -0.36 0.00 0.00 0.00 175.10 175.05 2buq s PHE 197 N 0.34 2.13 0.19 5.22 0.08 -1.26 -4.69 117.98 119.98 2buq s PHE 197 Ca 0.61 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 57.33 2buq s PHE 197 Cb -0.40 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2buq s PHE 197 CO 0.39 0.11 0.08 -0.06 -0.10 0.00 0.00 175.22 175.63 2buq s PHE 198 N -0.80 2.98 -0.36 0.36 0.08 0.30 -4.99 117.98 115.55 2buq s PHE 198 Ca 0.10 -0.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.96 2buq s PHE 198 Cb -0.10 -1.41 0.03 0.00 -0.57 0.00 0.00 43.02 40.97 2buq s PHE 198 CO 0.02 0.53 0.17 0.34 -0.10 0.00 0.00 175.22 176.18 2buq s ASP 199 N -3.19 5.59 0.00 1.36 3.68 -1.26 -4.28 116.67 118.57 2buq s ASP 199 Ca 0.30 -1.00 0.23 0.00 2.13 0.00 0.00 52.55 54.21 2buq s ASP 199 Cb -0.09 -1.97 0.18 0.00 -1.45 0.00 0.00 42.92 39.59 2buq s ASP 199 CO 0.21 -0.35 1.23 2.30 0.13 0.00 0.00 175.17 178.69