#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buv s LEU 5 N 0.00 3.61 0.14 4.31 1.02 -1.26 -5.12 118.68 121.38 2buv s LEU 5 Ca 0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 2buv s LEU 5 Cb 0.00 -2.26 -0.06 0.00 0.02 0.00 0.00 46.19 43.88 2buv s LEU 5 CO 0.00 0.11 0.47 -0.54 0.02 0.00 0.00 176.35 176.41 2buv s LYS 6 N -2.80 3.81 0.44 1.70 1.02 -1.26 -5.05 119.74 117.60 2buv s LYS 6 Ca 0.29 0.25 -0.26 0.00 0.02 0.00 0.00 55.97 56.27 2buv s LYS 6 Cb -0.10 -2.88 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 2buv s LYS 6 CO 0.21 0.47 1.44 -1.91 -0.92 0.00 0.00 175.35 174.64 2buv n GLU 7 N 0.52 2.31 -1.84 1.68 2.13 -1.26 -4.92 120.64 119.26 2buv n GLU 7 Ca -0.05 0.82 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 2buv n GLU 7 Cb 0.52 -2.64 -0.02 0.00 0.27 0.00 0.00 31.44 29.57 2buv n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buv s THR 8 N -1.18 2.25 0.48 6.31 2.01 -1.26 -4.93 115.64 119.31 2buv s THR 8 Ca 0.60 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.59 2buv s THR 8 Cb -0.45 -3.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2buv s THR 8 CO 0.58 0.03 1.11 -2.16 -0.69 0.00 0.00 174.62 173.50 2buv s PRO 9 N -0.26 3.70 0.58 4.92 0.04 -1.26 -5.01 135.00 137.71 2buv s PRO 9 Ca 0.63 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 2buv s PRO 9 Cb -0.46 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 2buv s PRO 9 CO 0.45 -0.56 1.02 0.45 0.04 0.00 0.00 177.00 178.40 2buv s SER 10 N -1.63 6.16 0.01 6.66 0.15 -1.26 -5.08 113.70 118.71 2buv s SER 10 Ca 0.66 1.60 -0.10 0.00 0.70 0.00 0.00 55.95 58.81 2buv s SER 10 Cb -0.24 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2buv s SER 10 CO 0.29 -0.91 0.20 -1.10 1.20 0.00 0.00 173.24 172.91 2buv s GLN 11 N -4.48 0.60 0.64 5.44 -1.52 -1.14 -4.91 119.66 114.29 2buv s GLN 11 Ca 0.59 -0.45 -0.18 0.00 -1.95 0.00 0.00 55.36 53.38 2buv s GLN 11 Cb -0.12 0.25 -0.02 0.00 -0.22 0.00 0.00 33.01 32.90 2buv s GLN 11 CO 0.42 -0.16 1.06 -2.37 -0.25 0.00 0.00 175.29 173.98 2buv n THR 12 N 1.11 3.97 0.18 -0.19 5.66 -1.21 -4.75 114.28 119.05 2buv n THR 12 Ca -0.21 -0.48 0.06 0.00 -3.05 0.00 0.00 64.05 60.37 2buv n THR 12 Cb 0.57 -1.24 0.22 0.00 -1.55 0.00 0.00 70.33 68.33 2buv n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2buv h GLY 13 N 0.32 0.00 0.00 1.09 0.00 -1.74 -3.50 103.07 99.25 2buv h GLY 13 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2buv h GLY 13 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 2buv n GLY 14 N 0.74 -1.59 0.10 4.60 0.00 -1.26 -4.02 105.19 103.76 2buv n GLY 14 Ca 0.01 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.61 2buv n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2buv n PRO 15 N -1.84 0.16 -0.60 1.61 -0.04 -1.26 -3.03 135.00 130.00 2buv n PRO 15 Ca 0.00 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 2buv n PRO 15 Cb 0.00 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 31.99 2buv n PRO 15 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2buv n TYR 16 N -2.08 1.33 0.13 0.54 4.01 -1.26 -4.60 117.16 115.23 2buv n TYR 16 Ca 0.03 -0.81 0.19 0.00 -0.16 0.00 0.00 57.90 57.15 2buv n TYR 16 Cb 0.25 -0.37 0.77 0.00 -0.31 0.00 0.00 39.34 39.68 2buv n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2buv h VAL 17 N 2.61 0.40 -0.19 -0.72 3.04 -1.67 -0.69 116.25 119.03 2buv h VAL 17 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2buv h VAL 17 Cb 1.61 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 2buv h VAL 17 CO 0.31 0.00 0.12 0.45 -1.01 0.00 0.00 177.57 177.44 2buv h HIS 18 N 0.00 0.23 -0.22 3.17 3.86 -1.88 -2.11 115.15 118.21 2buv h HIS 18 Ca 0.16 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 2buv h HIS 18 Cb 0.89 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.24 2buv h HIS 18 CO 0.00 0.15 -0.08 0.82 0.86 0.00 0.00 177.93 179.68 2buv h ILE 19 N 0.25 0.72 0.00 2.45 2.04 -1.36 0.22 117.51 121.83 2buv h ILE 19 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2buv h ILE 19 Cb -0.03 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2buv h ILE 19 CO -0.01 0.00 -1.12 1.23 0.00 0.00 0.00 178.15 178.24 2buv h GLY 20 N -0.04 0.00 0.00 5.37 0.00 -1.66 -3.34 103.07 103.40 2buv h GLY 20 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2buv h GLY 20 CO -0.25 0.00 -1.72 1.04 0.00 0.00 0.00 176.54 175.61 2buv n LEU 21 N -2.88 0.00 -3.16 3.11 4.77 -0.82 -4.73 117.00 113.29 2buv n LEU 21 Ca -0.05 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 2buv n LEU 21 Cb 0.73 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 2buv n LEU 21 CO 0.41 0.12 -0.20 0.18 -1.33 0.00 0.00 177.39 176.57 2buv n LEU 22 N -2.16 0.51 -0.24 2.23 4.77 0.66 -4.85 117.00 117.92 2buv n LEU 22 Ca -0.09 -4.87 0.26 0.00 -0.03 0.00 0.00 56.01 51.28 2buv n LEU 22 Cb 0.56 0.72 0.63 0.00 -2.33 0.00 0.00 43.42 43.00 2buv n LEU 22 CO 0.28 2.24 1.25 1.55 -1.33 0.00 0.00 177.39 181.38 2buv h PRO 23 N 3.16 0.18 -0.37 3.23 0.13 -1.34 0.72 132.00 137.71 2buv h PRO 23 Ca 0.08 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 2buv h PRO 23 Cb 0.96 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2buv h PRO 23 CO 0.47 0.12 0.12 0.87 -0.23 0.00 0.00 178.00 179.34 2buv h LYS 24 N 0.18 0.53 0.00 0.86 1.79 -1.85 0.20 116.57 118.28 2buv h LYS 24 Ca 0.48 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.80 2buv h LYS 24 Cb 1.58 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 2buv h LYS 24 CO -0.11 0.47 -0.37 0.37 -1.08 0.00 0.00 179.45 178.74 2buv h GLN 25 N 0.53 0.00 -0.33 3.15 4.15 -1.16 -0.79 115.11 120.66 2buv h GLN 25 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2buv h GLN 25 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2buv h GLN 25 CO -0.01 0.37 0.00 0.00 -1.93 0.00 0.00 178.83 177.26 2buv n ALA 26 N -2.35 2.46 -3.24 3.38 0.00 -0.42 -4.92 120.51 115.41 2buv n ALA 26 Ca -0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 53.44 52.61 2buv n ALA 26 Cb 0.46 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.98 2buv n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2buv n ASN 27 N 0.60 -3.74 -4.05 0.00 3.02 -0.30 -5.01 115.26 105.78 2buv n ASN 27 Ca 0.14 -0.46 -0.32 0.00 -0.03 0.00 0.00 54.58 53.92 2buv n ASN 27 Cb 0.34 -4.10 -0.15 0.00 -0.61 0.00 0.00 39.78 35.27 2buv n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buv s ILE 28 N -3.27 2.06 -0.45 2.41 1.01 0.57 -4.99 121.20 118.53 2buv s ILE 28 Ca 0.23 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.20 2buv s ILE 28 Cb -0.10 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.26 2buv s ILE 28 CO 0.57 -0.02 0.35 -1.61 0.00 0.00 0.00 174.94 174.24 2buv s GLU 29 N 1.16 2.91 0.00 2.79 2.02 -1.26 -3.64 118.70 122.68 2buv s GLU 29 Ca -0.08 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.59 2buv s GLU 29 Cb -0.19 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.00 2buv s GLU 29 CO -0.06 -0.97 0.00 1.33 0.02 0.00 0.00 175.26 175.58 2buv n VAL 30 N 5.14 0.00 -4.07 2.63 0.24 -1.26 -5.10 118.33 115.91 2buv n VAL 30 Ca -0.12 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.87 2buv n VAL 30 Cb 0.44 -0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.43 2buv n VAL 30 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2buv s PHE 31 N -1.32 3.20 -0.05 6.34 0.08 -1.26 -5.03 117.98 119.94 2buv s PHE 31 Ca 0.00 0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.92 2buv s PHE 31 Cb 0.00 -1.64 -0.31 0.00 -0.57 0.00 0.00 43.02 40.50 2buv s PHE 31 CO 0.00 0.52 0.90 1.49 -0.10 0.00 0.00 175.22 178.03 2buv h GLU 32 N 3.47 0.28 -4.82 0.44 4.81 -2.02 -3.42 114.58 113.32 2buv h GLU 32 Ca -0.47 -0.47 -0.67 0.00 -0.13 0.00 0.00 59.36 57.62 2buv h GLU 32 Cb 1.17 0.17 -0.24 0.00 0.63 0.00 0.00 28.75 30.48 2buv h GLU 32 CO 0.65 1.22 -0.60 -1.01 -0.73 0.00 0.00 179.01 178.54 2buv s HIS 33 N -2.45 3.14 -0.14 0.92 3.76 -1.26 -5.08 115.29 114.18 2buv s HIS 33 Ca -0.14 -0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 54.02 2buv s HIS 33 Cb 0.01 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2buv s HIS 33 CO 0.82 -0.49 -0.03 -0.80 -0.85 0.00 0.00 174.74 173.38 2buv s ASN 34 N 1.56 4.84 0.29 1.40 0.01 -1.26 -5.09 114.94 116.70 2buv s ASN 34 Ca 0.04 -0.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.81 2buv s ASN 34 Cb -0.17 -1.71 -0.10 0.00 0.41 0.00 0.00 41.25 39.68 2buv s ASN 34 CO 0.04 0.20 1.25 -0.76 -1.51 0.00 0.00 177.10 176.32 2buv s LEU 35 N 0.17 4.46 0.00 0.60 1.43 -1.26 -5.00 118.68 119.08 2buv s LEU 35 Ca -0.01 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2buv s LEU 35 Cb -0.14 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2buv s LEU 35 CO 0.03 -0.43 0.00 -0.90 0.23 0.00 0.00 176.35 175.28 2buv n ASP 36 N 1.26 0.00 -1.50 2.29 5.68 -1.26 -4.90 116.55 118.12 2buv n ASP 36 Ca 0.01 -0.17 0.09 0.00 -0.50 0.00 0.00 54.79 54.22 2buv n ASP 36 Cb 0.43 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.75 2buv n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2buv n ASN 37 N -0.44 4.75 -4.19 -1.12 6.94 -0.95 -1.29 115.26 118.95 2buv n ASN 37 Ca 0.00 -2.60 -0.37 0.00 -0.02 0.00 0.00 54.58 51.59 2buv n ASN 37 Cb 0.00 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 36.73 2buv n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2buv s ASN 38 N -1.03 5.31 0.00 0.53 3.04 -1.26 -1.90 114.94 119.64 2buv s ASN 38 Ca 0.49 -1.67 0.26 0.00 0.04 0.00 0.00 52.86 51.99 2buv s ASN 38 Cb 0.34 -1.86 0.72 0.00 -1.54 0.00 0.00 41.25 38.91 2buv s ASN 38 CO 0.20 -0.48 1.54 0.18 -3.04 0.00 0.00 177.10 175.51 2buv n LEU 39 N 4.72 1.13 -4.58 3.21 4.32 -0.28 -4.85 117.00 120.67 2buv n LEU 39 Ca -0.07 -0.32 -0.40 0.00 -0.02 0.00 0.00 56.01 55.20 2buv n LEU 39 Cb 0.42 -0.11 -0.09 0.00 -1.62 0.00 0.00 43.42 42.03 2buv n LEU 39 CO 0.34 0.21 0.06 -0.69 -1.22 0.00 0.00 177.39 176.09 2buv s VAL 40 N -2.47 5.16 0.34 4.08 1.01 -1.25 -4.63 120.40 122.64 2buv s VAL 40 Ca 0.25 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2buv s VAL 40 Cb 0.19 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2buv s VAL 40 CO 0.51 0.04 0.47 -1.10 0.00 0.00 0.00 175.10 175.02 2buv s GLN 41 N 2.07 3.12 0.24 2.72 -0.21 -1.26 -5.00 119.66 121.35 2buv s GLN 41 Ca 0.14 -1.00 -0.04 0.00 0.02 0.00 0.00 55.36 54.48 2buv s GLN 41 Cb -0.16 -2.82 0.45 0.00 1.00 0.00 0.00 33.01 31.48 2buv s GLN 41 CO 0.11 0.06 1.74 0.38 -2.12 0.00 0.00 175.29 175.46 2buv h ASP 42 N 0.89 0.34 -0.44 5.90 2.03 -1.97 -1.72 116.42 121.43 2buv h ASP 42 Ca -0.46 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2buv h ASP 42 Cb 1.26 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 2buv h ASP 42 CO 0.53 0.14 0.00 0.59 -1.03 0.00 0.00 179.24 179.47 2buv n ASN 43 N -4.97 2.38 -4.73 4.15 4.13 -1.26 -4.95 115.26 110.01 2buv n ASN 43 Ca 0.14 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 53.99 2buv n ASN 43 Cb 0.39 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 38.31 2buv n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2buv s THR 44 N -1.41 2.68 0.31 3.41 2.01 -0.65 -4.87 115.64 117.12 2buv s THR 44 Ca 0.30 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.67 2buv s THR 44 Cb 0.16 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2buv s THR 44 CO 0.20 0.07 0.76 -1.10 -0.69 0.00 0.00 174.62 173.86 2buv s GLN 45 N 0.29 4.08 0.00 4.92 -0.21 -1.26 -4.91 119.66 122.56 2buv s GLN 45 Ca 0.64 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.77 2buv s GLN 45 Cb -0.42 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.09 2buv s GLN 45 CO 0.38 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 2buv n GLY 46 N -0.18 1.62 3.68 3.09 0.00 -1.26 -4.54 105.19 107.60 2buv n GLY 46 Ca 0.03 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 2buv n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buv s GLN 47 N -1.56 4.31 0.24 1.61 -2.07 -1.26 -4.95 119.66 115.98 2buv s GLN 47 Ca 0.00 0.79 -0.30 0.00 -1.82 0.00 0.00 55.36 54.03 2buv s GLN 47 Cb 0.00 -3.53 -0.10 0.00 -1.09 0.00 0.00 33.01 28.29 2buv s GLN 47 CO 0.00 -0.15 1.35 1.03 -1.32 0.00 0.00 175.29 176.19 2buv s ARG 48 N 1.57 4.35 0.07 9.60 3.00 -1.26 -1.18 118.95 135.10 2buv s ARG 48 Ca 0.34 2.16 -0.07 0.00 0.00 0.00 0.00 55.73 58.16 2buv s ARG 48 Cb -0.17 -3.14 -0.01 0.00 0.00 0.00 0.00 34.95 31.63 2buv s ARG 48 CO 0.13 -0.28 0.14 0.96 0.00 0.00 0.00 175.30 176.25 2buv s ILE 49 N -0.21 0.15 -0.08 1.52 -4.36 0.60 -4.53 121.20 114.29 2buv s ILE 49 Ca 0.56 -1.24 0.01 0.00 -0.26 0.00 0.00 60.65 59.72 2buv s ILE 49 Cb -0.39 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 2buv s ILE 49 CO 0.43 -0.69 -0.11 -0.60 0.24 0.00 0.00 174.94 174.22 2buv s ARG 50 N -3.54 2.85 -0.14 0.37 3.52 -0.29 -0.71 118.95 121.01 2buv s ARG 50 Ca 0.03 -0.63 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 2buv s ARG 50 Cb 0.04 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2buv s ARG 50 CO -0.09 0.53 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.61 2buv s LEU 51 N -0.46 2.61 0.07 -0.88 2.96 -0.17 -0.39 118.68 122.43 2buv s LEU 51 Ca 0.06 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 2buv s LEU 51 Cb -0.12 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.99 2buv s LEU 51 CO 0.02 0.14 0.25 -1.83 -1.32 0.00 0.00 176.35 173.61 2buv s GLU 52 N 0.51 0.84 0.00 1.98 -1.05 -0.69 -0.47 118.70 119.81 2buv s GLU 52 Ca -0.10 -0.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 2buv s GLU 52 Cb -0.16 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2buv s GLU 52 CO 0.04 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2buv n GLY 53 N 0.23 -0.86 3.24 -3.83 0.00 -0.98 -0.46 105.19 102.54 2buv n GLY 53 Ca -0.17 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 2buv n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buv s GLN 54 N -0.29 1.11 -0.12 1.61 -0.21 -1.26 -2.02 119.66 118.49 2buv s GLN 54 Ca 0.00 -1.53 0.01 0.00 0.02 0.00 0.00 55.36 53.86 2buv s GLN 54 Cb 0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 33.01 33.72 2buv s GLN 54 CO 0.00 -0.12 -0.17 0.08 -2.12 0.00 0.00 175.29 172.96 2buv s VAL 55 N -3.65 2.72 -0.04 1.09 1.01 -1.26 -1.64 120.40 118.64 2buv s VAL 55 Ca 0.24 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2buv s VAL 55 Cb 0.06 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2buv s VAL 55 CO 0.04 0.54 -0.11 -0.36 0.00 0.00 0.00 175.10 175.21 2buv s PHE 56 N 0.32 2.81 0.26 5.22 0.08 -0.01 -0.30 117.98 126.35 2buv s PHE 56 Ca -0.13 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2buv s PHE 56 Cb -0.16 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 2buv s PHE 56 CO 0.07 0.27 0.35 -0.40 -0.10 0.00 0.00 175.22 175.41 2buv n ASP 57 N 2.12 0.40 0.00 1.36 5.68 0.68 -1.78 116.55 125.01 2buv n ASP 57 Ca -0.17 -1.36 0.05 0.00 -0.50 0.00 0.00 54.79 52.82 2buv n ASP 57 Cb 0.52 -0.23 0.23 0.00 -1.14 0.00 0.00 41.12 40.50 2buv n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2buv n GLY 58 N 2.38 -0.87 0.87 6.12 0.00 -1.26 -1.14 105.19 111.29 2buv n GLY 58 Ca 0.06 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2buv n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2buv n LEU 59 N -1.53 2.64 0.00 0.99 4.77 -1.26 -4.87 117.00 117.74 2buv n LEU 59 Ca 0.02 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 2buv n LEU 59 Cb 0.12 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2buv n LEU 59 CO 0.10 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2buv n GLY 60 N 1.33 0.50 3.84 -0.72 0.00 -0.29 -5.05 105.19 104.81 2buv n GLY 60 Ca 0.17 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2buv n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buv s LEU 61 N 0.00 4.11 0.34 0.99 1.43 -1.26 -4.80 118.68 119.50 2buv s LEU 61 Ca 0.00 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 2buv s LEU 61 Cb 0.00 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2buv s LEU 61 CO 0.00 0.24 1.15 -2.16 0.23 0.00 0.00 176.35 175.81 2buv s PRO 62 N -2.02 4.34 -0.27 1.29 0.04 -1.26 -0.23 135.00 136.89 2buv s PRO 62 Ca 0.27 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2buv s PRO 62 Cb -0.12 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.50 2buv s PRO 62 CO 0.19 -0.07 1.08 -0.51 0.04 0.00 0.00 177.00 177.73 2buv s LEU 63 N -1.98 4.02 -0.04 -3.56 1.02 0.58 -4.86 118.68 113.86 2buv s LEU 63 Ca 0.51 1.24 0.18 0.00 0.02 0.00 0.00 54.13 56.07 2buv s LEU 63 Cb -0.32 -3.54 0.57 0.00 0.02 0.00 0.00 46.19 42.92 2buv s LEU 63 CO 0.41 -0.79 1.47 0.54 0.02 0.00 0.00 176.35 177.99 2buv n ARG 64 N 6.64 2.78 -0.23 1.70 1.74 -1.26 -4.11 116.66 123.92 2buv n ARG 64 Ca 0.12 -2.30 0.04 0.00 -0.77 0.00 0.00 57.85 54.94 2buv n ARG 64 Cb 0.46 -1.61 0.05 0.00 -1.02 0.00 0.00 32.46 30.35 2buv n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2buv n ASP 65 N 1.16 1.10 -4.80 0.55 5.68 -1.26 -4.18 116.55 114.80 2buv n ASP 65 Ca 0.21 -2.30 -0.36 0.00 -0.50 0.00 0.00 54.79 51.84 2buv n ASP 65 Cb 0.62 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.29 2buv n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2buv s VAL 66 N -1.20 4.35 -0.06 2.12 0.11 -1.26 -4.66 120.40 119.81 2buv s VAL 66 Ca 0.12 1.60 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2buv s VAL 66 Cb 0.11 -3.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.01 2buv s VAL 66 CO 0.01 0.12 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.51 2buv s LEU 67 N -2.14 2.55 0.04 2.54 0.20 -0.16 -1.50 118.68 120.20 2buv s LEU 67 Ca 0.49 -0.29 0.06 0.00 0.69 0.00 0.00 54.13 55.08 2buv s LEU 67 Cb -0.17 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 2buv s LEU 67 CO 0.22 0.30 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.78 2buv s ILE 68 N -0.48 1.39 0.06 6.68 -1.09 -0.53 -1.39 121.20 125.83 2buv s ILE 68 Ca 0.06 -1.07 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 2buv s ILE 68 Cb -0.12 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 2buv s ILE 68 CO 0.01 0.13 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.13 2buv s GLU 69 N -1.10 0.70 0.08 2.79 2.02 -0.52 -1.01 118.70 121.66 2buv s GLU 69 Ca 0.05 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.21 2buv s GLU 69 Cb -0.08 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.53 2buv s GLU 69 CO 0.01 0.12 -0.16 0.96 0.02 0.00 0.00 175.26 176.21 2buv s ILE 70 N -1.41 1.29 -0.03 -1.63 -4.36 -0.96 -1.18 121.20 112.91 2buv s ILE 70 Ca -0.05 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 2buv s ILE 70 Cb -0.09 -1.20 0.02 0.00 1.25 0.00 0.00 42.46 42.43 2buv s ILE 70 CO 0.01 -0.15 -0.04 0.86 0.24 0.00 0.00 174.94 175.86 2buv s TRP 71 N -1.19 0.67 0.21 1.37 -0.00 -0.04 -2.63 118.94 117.34 2buv s TRP 71 Ca 0.01 -0.16 -0.17 0.00 -0.00 0.00 0.00 56.10 55.78 2buv s TRP 71 Cb -0.10 -0.58 0.02 0.00 -0.00 0.00 0.00 33.47 32.82 2buv s TRP 71 CO 0.03 -0.15 0.54 1.14 -0.00 0.00 0.00 176.95 178.51 2buv s GLN 72 N 0.71 1.46 0.73 5.86 -2.07 -0.31 -0.64 119.66 125.41 2buv s GLN 72 Ca -0.09 -0.96 -0.07 0.00 -1.82 0.00 0.00 55.36 52.43 2buv s GLN 72 Cb -0.12 0.52 0.08 0.00 -1.09 0.00 0.00 33.01 32.40 2buv s GLN 72 CO 0.00 -0.62 1.04 0.00 -1.32 0.00 0.00 175.29 174.39 2buv s ALA 73 N -3.91 3.13 1.00 2.60 0.00 -1.26 -4.61 121.76 118.71 2buv s ALA 73 Ca 0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2buv s ALA 73 Cb -0.01 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2buv s ALA 73 CO 0.01 -1.43 0.07 -0.40 0.00 0.00 0.00 175.76 174.00 2buv n ASP 74 N -2.99 0.00 0.27 0.00 5.68 0.14 -4.54 116.55 115.11 2buv n ASP 74 Ca 0.10 -1.02 0.14 0.00 -0.50 0.00 0.00 54.79 53.50 2buv n ASP 74 Cb 0.60 -0.05 0.78 0.00 -1.14 0.00 0.00 41.12 41.31 2buv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2buv h THR 75 N -1.04 0.53 -0.66 2.12 1.03 -1.80 -1.12 112.91 111.98 2buv h THR 75 Ca -0.02 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2buv h THR 75 Cb 0.06 1.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 2buv h THR 75 CO 0.02 0.09 0.00 0.59 -0.01 0.00 0.00 175.52 176.20 2buv n ASN 76 N -3.65 3.54 -0.55 0.00 3.02 -1.26 -3.17 115.26 113.19 2buv n ASN 76 Ca -0.02 -2.00 -0.05 0.00 -0.03 0.00 0.00 54.58 52.48 2buv n ASN 76 Cb 0.20 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2buv n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buv n GLY 77 N 1.55 0.23 3.39 7.41 0.00 -0.63 -4.74 105.19 112.40 2buv n GLY 77 Ca 0.22 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2buv n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buv s VAL 78 N -2.24 2.92 0.11 1.61 1.01 -1.26 -4.54 120.40 118.01 2buv s VAL 78 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 2buv s VAL 78 Cb 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.13 2buv s VAL 78 CO 0.00 0.55 0.70 -0.31 0.00 0.00 0.00 175.10 176.05 2buv s TYR 79 N -0.10 3.84 -1.37 5.22 2.02 -1.26 -0.69 117.35 125.01 2buv s TYR 79 Ca -0.02 1.48 -0.12 0.00 -0.37 0.00 0.00 57.07 58.04 2buv s TYR 79 Cb -0.14 -2.69 0.10 0.00 -0.40 0.00 0.00 41.96 38.83 2buv s TYR 79 CO 0.04 0.49 2.08 -0.35 -1.57 0.00 0.00 175.55 176.23 2buv n PRO 80 N 1.89 3.27 -3.81 -1.71 -0.04 -1.26 -4.74 135.00 128.59 2buv n PRO 80 Ca -0.07 -3.05 -0.12 0.00 -0.04 0.00 0.00 63.50 60.22 2buv n PRO 80 Cb 0.50 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.76 2buv n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2buv s SER 81 N 2.00 -0.14 0.46 3.54 0.15 -1.26 -4.95 113.70 113.50 2buv s SER 81 Ca 0.44 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.52 2buv s SER 81 Cb 0.12 0.34 1.47 0.00 -1.71 0.00 0.00 66.02 66.24 2buv s SER 81 CO -0.04 -0.30 1.94 1.56 1.20 0.00 0.00 173.24 177.60 2buv h GLN 82 N 4.65 0.00 0.00 5.44 4.20 -2.05 -2.11 115.11 125.24 2buv h GLN 82 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2buv h GLN 82 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2buv h GLN 82 CO 0.39 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 2buv n ALA 83 N -1.95 2.35 -2.45 3.87 0.00 -1.26 -4.78 120.51 116.29 2buv n ALA 83 Ca -0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 2buv n ALA 83 Cb 0.19 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 2buv n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2buv s ASP 84 N -2.93 7.07 -0.13 0.00 -1.08 -0.79 -4.92 116.67 113.89 2buv s ASP 84 Ca 0.16 1.88 0.16 0.00 -0.52 0.00 0.00 52.55 54.24 2buv s ASP 84 Cb 0.19 -2.57 0.64 0.00 -1.46 0.00 0.00 42.92 39.73 2buv s ASP 84 CO 0.52 -0.54 1.55 0.35 0.52 0.00 0.00 175.17 177.57 2buv n THR 85 N 4.37 1.93 0.40 1.71 -2.24 -1.26 -4.61 114.28 114.59 2buv n THR 85 Ca 0.10 -1.34 0.13 0.00 -2.27 0.00 0.00 64.05 60.67 2buv n THR 85 Cb 0.46 0.05 0.51 0.00 -2.10 0.00 0.00 70.33 69.25 2buv n THR 85 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2buv h GLN 86 N 3.33 0.00 -0.75 -0.78 4.20 -1.99 -3.46 115.11 115.66 2buv h GLN 86 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2buv h GLN 86 Cb 1.42 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.15 2buv h GLN 86 CO 0.23 0.00 -0.20 0.41 -0.67 0.00 0.00 178.83 178.60 2buv n GLY 87 N 0.18 0.72 3.56 3.46 0.00 -1.26 -5.00 105.19 106.84 2buv n GLY 87 Ca 0.02 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 2buv n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buv s LYS 88 N -3.37 2.00 -0.03 1.61 1.02 -1.26 -5.10 119.74 114.61 2buv s LYS 88 Ca 0.00 -1.36 -0.27 0.00 0.02 0.00 0.00 55.97 54.36 2buv s LYS 88 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2buv s LYS 88 CO 0.00 0.41 0.83 -1.14 -0.92 0.00 0.00 175.35 174.53 2buv s GLN 88 N -2.99 4.50 0.42 1.68 0.74 -1.26 -5.04 119.66 117.71 2buv s GLN 88 Ca 0.26 1.14 -0.08 0.00 0.05 0.00 0.00 55.36 56.72 2buv s GLN 88 Cb -0.08 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 2buv s GLN 88 CO 0.15 0.02 0.76 0.54 -0.55 0.00 0.00 175.29 176.22 2buv s VAL 88 N 0.84 4.84 0.13 1.34 0.11 -1.26 -5.00 120.40 121.41 2buv s VAL 88 Ca 0.44 0.45 -0.34 0.00 -2.93 0.00 0.00 61.98 59.61 2buv s VAL 88 Cb -0.19 -3.78 -0.13 0.00 -1.53 0.00 0.00 36.38 30.75 2buv s VAL 88 CO 0.23 -0.62 1.65 -0.67 -3.33 0.00 0.00 175.10 172.36 2buv n ASP 88 N -1.59 3.31 -0.02 3.54 -0.08 -1.26 -4.85 116.55 115.60 2buv n ASP 88 Ca 0.02 1.06 0.15 0.00 -1.51 0.00 0.00 54.79 54.50 2buv n ASP 88 Cb 0.54 -1.44 0.73 0.00 2.34 0.00 0.00 41.12 43.29 2buv n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2buv n PRO 88 N 4.04 0.45 -2.47 -0.67 -0.04 -1.26 -3.80 135.00 131.25 2buv n PRO 88 Ca 0.18 -0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 2buv n PRO 88 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2buv n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buv n ASN 88 N -1.24 5.31 -3.55 3.54 3.02 -1.26 -4.95 115.26 116.13 2buv n ASN 88 Ca 0.14 -3.73 -0.05 0.00 -0.03 0.00 0.00 54.58 50.91 2buv n ASN 88 Cb 0.25 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.73 2buv n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2buv s PHE 89 N -3.67 -1.07 0.13 3.10 5.36 -1.25 -4.33 117.98 116.25 2buv s PHE 89 Ca 0.48 1.71 0.01 0.00 -0.96 0.00 0.00 56.93 58.17 2buv s PHE 89 Cb 0.38 0.45 -0.13 0.00 -0.34 0.00 0.00 43.02 43.38 2buv s PHE 89 CO -0.22 -0.62 1.29 1.25 -1.46 0.00 0.00 175.22 175.46 2buv h LEU 90 N 8.10 0.27 0.00 6.12 5.85 -1.92 -3.45 115.31 130.29 2buv h LEU 90 Ca -0.18 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2buv h LEU 90 Cb 1.12 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2buv h LEU 90 CO 0.15 1.12 0.00 0.61 -0.34 0.00 0.00 178.44 179.98 2buv n GLY 91 N 1.15 2.13 3.19 3.75 0.00 -1.26 -4.74 105.19 109.41 2buv n GLY 91 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2buv n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2buv s TRP 92 N -2.79 1.25 0.21 1.61 -0.00 -1.26 -1.16 118.94 116.79 2buv s TRP 92 Ca 0.00 -0.49 -0.15 0.00 -0.00 0.00 0.00 56.10 55.45 2buv s TRP 92 Cb 0.00 -0.69 0.01 0.00 -0.00 0.00 0.00 33.47 32.80 2buv s TRP 92 CO 0.00 0.07 0.49 0.20 -0.00 0.00 0.00 176.95 177.71 2buv s GLY 93 N -1.93 0.13 -0.02 5.86 0.00 -1.08 -4.79 107.32 105.50 2buv s GLY 93 Ca 0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 2buv s GLY 93 CO 0.02 -0.41 0.06 -1.60 0.00 0.00 0.00 173.10 171.17 2buv s ARG 94 N -3.92 0.08 0.20 2.90 3.52 -0.41 -2.26 118.95 119.06 2buv s ARG 94 Ca 0.13 0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.72 2buv s ARG 94 Cb -0.01 0.04 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2buv s ARG 94 CO 0.01 -0.01 0.28 -0.08 -0.81 0.00 0.00 175.30 174.69 2buv s THR 95 N -0.03 0.03 0.11 4.11 -1.32 -0.18 -2.25 115.64 116.12 2buv s THR 95 Ca -0.01 -1.61 0.07 0.00 -1.21 0.00 0.00 61.69 58.94 2buv s THR 95 Cb -0.01 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2buv s THR 95 CO 0.00 -0.13 -0.18 -0.83 -2.21 0.00 0.00 174.62 171.27 2buv s GLY 96 N -3.04 1.19 0.56 6.08 0.00 -1.26 -1.45 107.32 109.39 2buv s GLY 96 Ca 0.26 -1.26 -0.19 0.00 0.00 0.00 0.00 44.72 43.52 2buv s GLY 96 CO 0.06 -1.29 1.15 0.00 0.00 0.00 0.00 173.10 173.03 2buv s ALA 97 N -1.50 2.64 0.31 3.20 0.00 -0.57 -4.73 121.76 121.11 2buv s ALA 97 Ca 0.07 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 2buv s ALA 97 Cb -0.08 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 2buv s ALA 97 CO 0.04 -0.91 1.59 0.34 0.00 0.00 0.00 175.76 176.82 2buv s ASP 98 N -1.73 6.35 0.55 0.00 2.15 -0.48 -4.77 116.67 118.73 2buv s ASP 98 Ca 0.74 2.98 0.31 0.00 0.43 0.00 0.00 52.55 57.02 2buv s ASP 98 Cb -0.26 -2.64 1.59 0.00 -0.30 0.00 0.00 42.92 41.31 2buv s ASP 98 CO 0.29 -0.92 2.10 -0.26 -0.17 0.00 0.00 175.17 176.21 2buv h PHE 99 N 4.58 0.00 0.04 -5.34 0.04 -1.92 0.63 116.94 114.97 2buv h PHE 99 Ca -0.48 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.91 2buv h PHE 99 Cb 1.22 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.32 2buv h PHE 99 CO 0.58 0.08 -2.24 0.41 -0.60 0.00 0.00 178.31 176.54 2buv n GLY 100 N -0.61 -0.48 0.02 -1.45 0.00 -1.26 -4.71 105.19 96.70 2buv n GLY 100 Ca -0.02 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2buv n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2buv n THR 101 N -3.61 0.18 -0.86 2.61 -2.24 -1.21 -5.00 114.28 104.15 2buv n THR 101 Ca -0.42 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2buv n THR 101 Cb 0.96 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2buv n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2buv n GLY 102 N 1.56 0.82 3.78 3.38 0.00 0.21 -4.95 105.19 109.99 2buv n GLY 102 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2buv n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2buv s PHE 103 N -3.18 3.33 0.11 1.61 0.40 -1.26 -4.43 117.98 114.56 2buv s PHE 103 Ca 0.00 1.66 0.03 0.00 -0.60 0.00 0.00 56.93 58.02 2buv s PHE 103 Cb 0.00 -3.08 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 2buv s PHE 103 CO 0.00 -0.48 -0.08 1.67 0.70 0.00 0.00 175.22 177.03 2buv s TRP 104 N -1.68 1.04 0.17 0.36 1.48 -0.86 -1.38 118.94 118.08 2buv s TRP 104 Ca 0.57 -0.82 -0.23 0.00 -1.06 0.00 0.00 56.10 54.56 2buv s TRP 104 Cb -0.21 -0.57 0.06 0.00 -1.16 0.00 0.00 33.47 31.59 2buv s TRP 104 CO 0.26 -0.05 0.70 -1.54 -4.06 0.00 0.00 176.95 172.26 2buv s SER 105 N -2.98 -0.42 0.02 -2.66 1.04 -1.26 -2.31 113.70 105.13 2buv s SER 105 Ca 0.12 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.35 2buv s SER 105 Cb 0.03 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2buv s SER 105 CO -0.02 -1.03 -0.05 -0.36 0.98 0.00 0.00 173.24 172.76 2buv s PHE 106 N -3.69 0.40 -0.31 5.02 0.08 0.38 -4.85 117.98 115.01 2buv s PHE 106 Ca 0.05 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 2buv s PHE 106 Cb -0.02 -0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.16 2buv s PHE 106 CO -0.06 -0.08 0.17 -0.80 -0.10 0.00 0.00 175.22 174.36 2buv s ASN 107 N -0.95 5.68 0.00 1.36 0.01 -0.80 -0.99 114.94 119.25 2buv s ASN 107 Ca -0.07 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 2buv s ASN 107 Cb -0.06 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.56 2buv s ASN 107 CO -0.00 -0.19 0.00 1.07 -1.51 0.00 0.00 177.10 176.46 2buv n THR 108 N 5.01 0.00 -4.38 1.60 5.66 0.11 -1.13 114.28 121.15 2buv n THR 108 Ca -0.14 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.58 2buv n THR 108 Cb 0.49 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 2buv n THR 108 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2buv s ILE 109 N -1.65 2.22 -0.12 1.09 1.09 -1.26 -0.29 121.20 122.29 2buv s ILE 109 Ca 0.00 -1.77 -0.30 0.00 -1.10 0.00 0.00 60.65 57.49 2buv s ILE 109 Cb 0.00 -1.98 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 2buv s ILE 109 CO 0.00 0.06 1.14 -0.75 -0.10 0.00 0.00 174.94 175.29 2buv s LYS 110 N -2.11 4.33 0.57 2.79 2.20 -0.32 -4.85 119.74 122.35 2buv s LYS 110 Ca 0.14 1.56 -0.17 0.00 -0.36 0.00 0.00 55.97 57.14 2buv s LYS 110 Cb -0.10 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 2buv s LYS 110 CO 0.06 -0.50 1.06 -1.25 -0.36 0.00 0.00 175.35 174.36 2buv s PRO 111 N 2.58 3.40 0.69 4.03 0.04 -1.26 -4.54 135.00 139.94 2buv s PRO 111 Ca 0.52 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 2buv s PRO 111 Cb -0.21 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.33 2buv s PRO 111 CO 0.17 -0.75 1.03 0.20 0.04 0.00 0.00 177.00 177.69 2buv s GLY 112 N -2.62 1.63 0.34 0.56 0.00 -0.52 -4.72 107.32 102.01 2buv s GLY 112 Ca 0.64 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 44.40 2buv s GLY 112 CO 0.34 -0.31 1.21 0.00 0.00 0.00 0.00 173.10 174.33 2buv s ALA 113 N -3.25 3.35 0.00 3.20 0.00 -1.26 -4.06 121.76 119.73 2buv s ALA 113 Ca 0.58 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.66 2buv s ALA 113 Cb -0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2buv s ALA 113 CO 0.47 -0.49 -0.12 0.08 0.00 0.00 0.00 175.76 175.70 2buv s VAL 114 N -1.24 3.23 0.44 0.00 1.01 -1.25 -4.21 120.40 118.38 2buv s VAL 114 Ca 0.51 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2buv s VAL 114 Cb -0.35 -2.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 2buv s VAL 114 CO 0.45 0.42 1.45 -2.65 0.00 0.00 0.00 175.10 174.78 2buv n PRO 115 N 1.74 2.37 -0.97 2.72 -0.02 -1.26 -0.44 135.00 139.13 2buv n PRO 115 Ca -0.16 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2buv n PRO 115 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2buv n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2buv n GLY 116 N 0.54 2.11 3.82 -1.23 0.00 0.51 -4.63 105.19 106.31 2buv n GLY 116 Ca 0.04 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 2buv n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buv s ARG 117 N -1.56 3.32 -1.34 1.61 0.52 -1.26 -4.02 118.95 116.22 2buv s ARG 117 Ca 0.00 1.03 -0.10 0.00 -0.52 0.00 0.00 55.73 56.14 2buv s ARG 117 Cb 0.00 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.43 2buv s ARG 117 CO 0.00 -0.79 0.47 1.63 0.02 0.00 0.00 175.30 176.63 2buv n LYS 118 N -2.41 -2.01 -0.93 3.54 5.02 -1.26 -1.65 118.16 118.46 2buv n LYS 118 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2buv n LYS 118 Cb 0.53 -3.99 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 2buv n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buv n GLY 119 N -2.03 0.44 3.94 0.72 0.00 -1.26 -5.01 105.19 101.99 2buv n GLY 119 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 2buv n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2buv s SER 120 N -2.25 4.31 -0.11 1.61 1.04 -0.66 -4.90 113.70 112.75 2buv s SER 120 Ca 0.00 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.68 2buv s SER 120 Cb 0.00 -0.68 0.01 0.00 0.10 0.00 0.00 66.02 65.45 2buv s SER 120 CO 0.00 -1.92 -0.18 -0.89 0.98 0.00 0.00 173.24 171.23 2buv s THR 121 N -3.37 1.68 0.36 2.02 2.01 -1.26 -0.36 115.64 116.71 2buv s THR 121 Ca 0.65 -0.77 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 2buv s THR 121 Cb -0.08 -1.50 -0.07 0.00 0.01 0.00 0.00 72.50 70.86 2buv s THR 121 CO 0.47 0.48 0.73 -1.10 -0.69 0.00 0.00 174.62 174.50 2buv s GLN 122 N 0.76 3.84 0.63 4.92 -0.21 0.41 -4.62 119.66 125.40 2buv s GLN 122 Ca -0.11 0.49 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 2buv s GLN 122 Cb -0.16 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 2buv s GLN 122 CO 0.01 0.06 1.07 0.00 -2.12 0.00 0.00 175.29 174.31 2buv s ALA 123 N -2.20 2.67 0.30 6.09 0.00 -1.26 -3.80 121.76 123.55 2buv s ALA 123 Ca 0.51 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2buv s ALA 123 Cb -0.10 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 2buv s ALA 123 CO 0.26 -1.01 1.44 -2.30 0.00 0.00 0.00 175.76 174.15 2buv n PRO 124 N -2.39 2.32 -3.52 0.00 -0.02 -1.26 -4.74 135.00 125.39 2buv n PRO 124 Ca 0.09 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 2buv n PRO 124 Cb 0.53 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2buv n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2buv s HIS 125 N -0.43 -0.40 -0.08 6.00 -3.43 -1.26 -4.33 115.29 111.35 2buv s HIS 125 Ca 0.62 0.14 0.04 0.00 -0.80 0.00 0.00 55.06 55.07 2buv s HIS 125 Cb -0.57 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 2buv s HIS 125 CO 0.54 -0.84 -0.23 0.42 -2.00 0.00 0.00 174.74 172.64 2buv s ILE 126 N -3.78 2.23 0.09 -5.38 1.01 -0.55 -4.69 121.20 110.14 2buv s ILE 126 Ca 0.03 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 2buv s ILE 126 Cb -0.01 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.55 2buv s ILE 126 CO -0.11 0.56 0.71 -0.44 0.00 0.00 0.00 174.94 175.67 2buv s SER 127 N 0.08 7.23 -0.00 3.58 0.01 0.19 -1.16 113.70 123.63 2buv s SER 127 Ca -0.10 1.46 0.02 0.00 1.31 0.00 0.00 55.95 58.63 2buv s SER 127 Cb -0.16 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2buv s SER 127 CO 0.06 0.15 -0.05 -0.22 0.41 0.00 0.00 173.24 173.59 2buv s LEU 128 N -0.71 2.03 0.02 2.44 0.20 -0.72 -0.86 118.68 121.08 2buv s LEU 128 Ca 0.35 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 55.08 2buv s LEU 128 Cb -0.21 -0.26 -0.02 0.00 -0.43 0.00 0.00 46.19 45.27 2buv s LEU 128 CO 0.23 0.04 -0.13 -0.51 -0.29 0.00 0.00 176.35 175.69 2buv s ILE 129 N -0.22 1.03 -0.10 6.68 2.07 -0.33 -0.71 121.20 129.63 2buv s ILE 129 Ca 0.01 -0.85 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 2buv s ILE 129 Cb -0.03 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 2buv s ILE 129 CO -0.00 0.07 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.27 2buv s ILE 130 N -0.69 2.51 -0.01 2.00 -1.09 -0.60 -1.44 121.20 121.87 2buv s ILE 130 Ca 0.02 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2buv s ILE 130 Cb -0.07 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 2buv s ILE 130 CO 0.01 0.55 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.80 2buv s PHE 131 N 0.13 1.01 -0.04 3.97 0.08 -0.49 -1.74 117.98 120.91 2buv s PHE 131 Ca -0.10 -0.20 -0.31 0.00 0.12 0.00 0.00 56.93 56.44 2buv s PHE 131 Cb -0.16 -0.66 0.11 0.00 -0.57 0.00 0.00 43.02 41.75 2buv s PHE 131 CO 0.06 -0.03 1.13 0.00 -0.10 0.00 0.00 175.22 176.28 2buv s ALA 132 N -0.19 -2.01 0.36 5.36 0.00 -1.26 -0.99 121.76 123.03 2buv s ALA 132 Ca 0.03 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 2buv s ALA 132 Cb -0.05 0.26 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 2buv s ALA 132 CO -0.00 -0.83 1.08 -2.13 0.00 0.00 0.00 175.76 173.87 2buv n ARG 133 N -0.31 1.55 0.00 0.00 0.63 -1.24 -0.98 116.66 116.31 2buv n ARG 133 Ca -0.05 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 2buv n ARG 133 Cb 0.61 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.46 2buv n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2buv n GLY 134 N 1.09 3.00 3.37 5.14 0.00 -1.26 -4.95 105.19 111.58 2buv n GLY 134 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2buv n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buv s ILE 135 N -1.96 4.53 0.11 -0.61 1.01 -0.15 -4.97 121.20 119.16 2buv s ILE 135 Ca 0.00 -0.90 0.16 0.00 0.00 0.00 0.00 60.65 59.90 2buv s ILE 135 Cb 0.00 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 39.00 2buv s ILE 135 CO 0.00 -0.25 1.62 0.78 0.00 0.00 0.00 174.94 177.09 2buv h ASN 136 N 8.43 0.00 -3.52 3.58 2.35 -1.90 -3.35 115.58 121.16 2buv h ASN 136 Ca -0.25 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.18 2buv h ASN 136 Cb 1.10 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.13 2buv h ASN 136 CO 0.67 0.49 -0.74 -0.63 -1.65 0.00 0.00 177.43 175.57 2buv s ILE 137 N -3.40 0.06 0.24 2.81 1.01 -1.26 -2.91 121.20 117.75 2buv s ILE 137 Ca 0.01 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 2buv s ILE 137 Cb 0.10 -0.17 -0.15 0.00 0.01 0.00 0.00 42.46 42.26 2buv s ILE 137 CO 0.72 0.11 1.02 0.61 0.00 0.00 0.00 174.94 177.40 2buv n GLY 138 N 4.10 -0.28 3.61 6.18 0.00 -1.26 -4.91 105.19 112.63 2buv n GLY 138 Ca -0.27 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2buv n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buv s LEU 139 N 0.74 4.05 0.03 0.99 1.43 -0.71 -4.88 118.68 120.33 2buv s LEU 139 Ca 0.64 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 2buv s LEU 139 Cb -0.77 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.92 2buv s LEU 139 CO 0.57 -0.19 0.48 -1.00 0.23 0.00 0.00 176.35 176.44 2buv s HIS 140 N 2.04 3.75 0.32 0.29 3.76 -1.26 -1.56 115.29 122.62 2buv s HIS 140 Ca 0.16 1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 56.17 2buv s HIS 140 Cb -0.16 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.15 2buv s HIS 140 CO 0.10 0.60 0.43 -2.37 -0.85 0.00 0.00 174.74 172.65 2buv n THR 141 N 1.87 0.00 -4.14 1.30 5.66 0.11 -1.31 114.28 117.76 2buv n THR 141 Ca -0.12 -1.65 -0.15 0.00 -3.05 0.00 0.00 64.05 59.09 2buv n THR 141 Cb 0.52 1.00 -0.11 0.00 -1.55 0.00 0.00 70.33 70.18 2buv n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2buv s ARG 142 N -2.75 0.75 -0.21 1.09 0.52 -1.26 -1.75 118.95 115.35 2buv s ARG 142 Ca 0.27 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2buv s ARG 142 Cb -0.01 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.93 2buv s ARG 142 CO 0.19 0.10 -0.10 0.08 0.02 0.00 0.00 175.30 175.59 2buv s VAL 143 N -1.90 2.88 0.41 3.52 1.01 -0.31 -4.76 120.40 121.26 2buv s VAL 143 Ca -0.00 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2buv s VAL 143 Cb -0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2buv s VAL 143 CO 0.01 0.45 0.31 -0.31 0.00 0.00 0.00 175.10 175.56 2buv s TYR 144 N 1.40 2.68 -0.10 5.22 1.51 0.87 -1.48 117.35 127.46 2buv s TYR 144 Ca 0.05 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2buv s TYR 144 Cb -0.14 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 2buv s TYR 144 CO -0.07 -0.01 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.17 2buv s PHE 145 N -2.51 2.80 0.36 2.71 0.08 -1.26 -0.49 117.98 119.68 2buv s PHE 145 Ca 0.46 -0.44 0.34 0.00 0.12 0.00 0.00 56.93 57.41 2buv s PHE 145 Cb -0.01 -1.78 1.67 0.00 -0.57 0.00 0.00 43.02 42.34 2buv s PHE 145 CO 0.26 -0.05 2.12 0.38 -0.10 0.00 0.00 175.22 177.83 2buv h ASP 146 N 6.20 0.00 -0.10 1.36 2.03 -1.68 -1.46 116.42 122.76 2buv h ASP 146 Ca -0.34 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2buv h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2buv h ASP 146 CO 0.54 0.05 0.00 -0.90 -1.03 0.00 0.00 179.24 177.90 2buv n ASP 147 N -3.29 0.61 -2.28 4.15 5.75 -1.26 -3.63 116.55 116.59 2buv n ASP 147 Ca -0.01 -2.01 -0.26 0.00 -0.01 0.00 0.00 54.79 52.50 2buv n ASP 147 Cb 0.22 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 2buv n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2buv n GLU 148 N -0.19 3.49 -0.17 0.11 -0.58 -0.55 -4.86 120.64 117.89 2buv n GLU 148 Ca 0.03 -4.31 -0.01 0.00 -0.42 0.00 0.00 57.16 52.45 2buv n GLU 148 Cb 0.10 -2.26 0.07 0.00 -0.57 0.00 0.00 31.44 28.78 2buv n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2buv h ALA 149 N 2.40 0.49 0.35 0.62 0.00 -1.76 0.14 119.26 121.50 2buv h ALA 149 Ca 0.34 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2buv h ALA 149 Cb 1.17 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 2buv h ALA 149 CO 0.84 -0.40 -0.28 1.49 0.00 0.00 0.00 179.25 180.90 2buv h GLU 150 N 0.10 -0.61 -0.44 0.00 4.57 -1.93 -1.07 114.58 115.20 2buv h GLU 150 Ca 0.27 0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 2buv h GLU 150 Cb 0.42 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 2buv h GLU 150 CO -0.47 -0.41 -0.10 0.00 -1.18 0.00 0.00 179.01 176.86 2buv h ALA 151 N -0.07 1.00 -0.62 2.92 0.00 -1.84 -3.19 119.26 117.46 2buv h ALA 151 Ca -0.03 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2buv h ALA 151 Cb 0.55 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2buv h ALA 151 CO -0.01 0.60 0.37 -0.91 0.00 0.00 0.00 179.25 179.30 2buv h ASN 152 N 0.71 0.60 -0.11 0.00 2.35 -0.54 -1.47 115.58 117.13 2buv h ASN 152 Ca 0.12 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2buv h ASN 152 Cb 0.58 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2buv h ASN 152 CO 0.04 0.42 0.11 0.00 -1.65 0.00 0.00 177.43 176.34 2buv h ALA 153 N 1.28 1.75 -0.01 -0.83 0.00 -1.19 -2.39 119.26 117.87 2buv h ALA 153 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2buv h ALA 153 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2buv h ALA 153 CO -0.11 -0.17 -0.26 1.63 0.00 0.00 0.00 179.25 180.34 2buv n LYS 154 N -3.93 1.58 -1.90 0.00 5.02 -0.90 -4.92 118.16 113.11 2buv n LYS 154 Ca -0.00 -1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 54.84 2buv n LYS 154 Cb 0.22 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2buv n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2buv s ASP 155 N -1.84 6.56 0.18 4.39 2.15 -0.60 -4.92 116.67 122.58 2buv s ASP 155 Ca 0.16 2.62 -0.13 0.00 0.43 0.00 0.00 52.55 55.63 2buv s ASP 155 Cb 0.14 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.27 2buv s ASP 155 CO 0.37 -0.86 1.82 -0.65 -0.17 0.00 0.00 175.17 175.68 2buv h PRO 156 N 7.20 0.62 -0.03 4.34 0.11 -1.90 -1.39 132.00 140.94 2buv h PRO 156 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2buv h PRO 156 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2buv h PRO 156 CO 0.92 0.41 -0.01 0.28 -0.21 0.00 0.00 178.00 179.39 2buv h VAL 157 N 0.63 1.30 -0.86 3.15 2.07 -1.97 -1.98 116.25 118.59 2buv h VAL 157 Ca 0.21 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.86 2buv h VAL 157 Cb 0.01 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2buv h VAL 157 CO -0.09 0.24 0.56 -0.07 0.02 0.00 0.00 177.57 178.24 2buv h LEU 158 N -0.30 0.91 -0.14 2.57 3.38 -1.88 -0.53 115.31 119.32 2buv h LEU 158 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2buv h LEU 158 Cb 0.40 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2buv h LEU 158 CO 0.00 0.62 0.00 0.59 0.09 0.00 0.00 178.44 179.74 2buv n ASN 159 N -4.45 0.22 -0.58 -0.43 3.02 -0.53 -2.28 115.26 110.22 2buv n ASN 159 Ca 0.12 0.54 0.13 0.00 -0.03 0.00 0.00 54.58 55.33 2buv n ASN 159 Cb 0.12 -0.59 0.43 0.00 -0.61 0.00 0.00 39.78 39.13 2buv n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2buv n SER 160 N -1.73 1.79 -4.51 6.41 3.41 -0.21 -4.68 113.62 114.10 2buv n SER 160 Ca 0.04 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.59 2buv n SER 160 Cb 0.25 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 2buv n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buv s ILE 161 N -1.93 4.73 0.05 -1.33 1.01 -0.97 -4.95 121.20 117.82 2buv s ILE 161 Ca 0.36 0.13 0.32 0.00 0.00 0.00 0.00 60.65 61.46 2buv s ILE 161 Cb 0.20 -4.29 0.37 0.00 0.01 0.00 0.00 42.46 38.75 2buv s ILE 161 CO 0.31 -0.73 1.94 1.05 0.00 0.00 0.00 174.94 177.51 2buv h GLU 162 N 8.98 0.00 -4.74 2.79 4.11 -1.88 -3.37 114.58 120.47 2buv h GLU 162 Ca -0.26 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.48 2buv h GLU 162 Cb 1.09 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.15 2buv h GLU 162 CO 0.95 0.02 0.20 -1.58 0.07 0.00 0.00 179.01 178.67 2buv s TRP 163 N -3.62 3.01 0.38 2.06 0.51 -1.26 -4.92 118.94 115.10 2buv s TRP 163 Ca 0.02 -1.01 0.25 0.00 -2.12 0.00 0.00 56.10 53.23 2buv s TRP 163 Cb 0.09 -4.05 1.29 0.00 -0.81 0.00 0.00 33.47 29.99 2buv s TRP 163 CO 0.56 -1.33 2.02 0.00 -0.51 0.00 0.00 176.95 177.69 2buv h ALA 164 N 9.13 1.29 0.00 0.98 0.00 -1.98 -2.14 119.26 126.54 2buv h ALA 164 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2buv h ALA 164 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2buv h ALA 164 CO 1.09 0.20 0.00 1.79 0.00 0.00 0.00 179.25 182.33 2buv h THR 165 N 0.00 0.00 0.00 0.00 1.35 -1.94 -2.48 112.91 109.84 2buv h THR 165 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2buv h THR 165 Cb 0.41 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2buv h THR 165 CO 0.02 0.00 -0.42 0.03 -0.25 0.00 0.00 175.52 174.90 2buv h ARG 166 N 0.00 0.00 -0.87 4.72 3.08 -1.78 -3.32 114.38 116.21 2buv h ARG 166 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2buv h ARG 166 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 2buv h ARG 166 CO 0.00 0.00 0.57 0.00 -1.07 0.00 0.00 179.97 179.47 2buv h ARG 167 N 0.00 0.99 0.00 0.04 3.08 -1.57 -2.15 114.38 114.77 2buv h ARG 167 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2buv h ARG 167 Cb 0.93 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2buv h ARG 167 CO 0.00 0.66 -0.02 -0.56 -1.07 0.00 0.00 179.97 178.98 2buv h GLN 168 N 1.02 0.00 0.00 0.04 3.07 -1.75 -1.47 115.11 116.02 2buv h GLN 168 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.11 2buv h GLN 168 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2buv h GLN 168 CO -0.13 0.02 0.00 0.25 0.09 0.00 0.00 178.83 179.06 2buv n THR 169 N -3.64 1.10 0.04 1.86 -2.24 -0.81 -2.21 114.28 108.39 2buv n THR 169 Ca -0.03 0.40 0.11 0.00 -2.27 0.00 0.00 64.05 62.26 2buv n THR 169 Cb 0.10 -1.32 0.28 0.00 -2.10 0.00 0.00 70.33 67.29 2buv n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2buv n LEU 170 N -1.96 3.46 -4.43 3.22 4.77 -0.55 -4.81 117.00 116.69 2buv n LEU 170 Ca 0.01 -1.67 -0.38 0.00 -0.03 0.00 0.00 56.01 53.95 2buv n LEU 170 Cb 0.13 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.72 2buv n LEU 170 CO 0.13 0.83 -0.24 -0.69 -1.33 0.00 0.00 177.39 176.09 2buv s VAL 171 N -1.23 4.42 0.38 4.08 1.01 -0.94 -0.09 120.40 128.03 2buv s VAL 171 Ca 0.43 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2buv s VAL 171 Cb 0.23 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 2buv s VAL 171 CO 0.30 0.15 0.85 0.00 0.00 0.00 0.00 175.10 176.40 2buv s ALA 172 N 1.60 3.18 -0.19 5.51 0.00 0.36 -4.86 121.76 127.36 2buv s ALA 172 Ca 0.05 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 2buv s ALA 172 Cb -0.17 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2buv s ALA 172 CO 0.05 0.22 0.27 0.15 0.00 0.00 0.00 175.76 176.45 2buv s LYS 173 N -3.12 4.19 0.17 0.00 1.02 -0.75 -1.79 119.74 119.46 2buv s LYS 173 Ca 0.58 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 2buv s LYS 173 Cb -0.10 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.67 2buv s LYS 173 CO 0.16 0.14 1.01 0.50 -0.92 0.00 0.00 175.35 176.24 2buv s ARG 174 N 0.78 4.69 0.10 1.68 3.52 -1.26 -1.07 118.95 127.40 2buv s ARG 174 Ca 0.14 1.57 -0.02 0.00 -0.13 0.00 0.00 55.73 57.28 2buv s ARG 174 Cb -0.13 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2buv s ARG 174 CO 0.04 0.23 0.06 -1.21 -0.81 0.00 0.00 175.30 173.61 2buv s GLU 175 N -0.43 0.84 -0.47 5.12 2.02 0.49 -4.97 118.70 121.30 2buv s GLU 175 Ca 0.46 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 54.18 2buv s GLU 175 Cb -0.26 0.25 0.14 0.00 0.10 0.00 0.00 34.13 34.37 2buv s GLU 175 CO 0.33 -0.23 0.29 -1.21 0.02 0.00 0.00 175.26 174.45 2buv s GLU 176 N -3.98 1.38 -0.65 1.61 2.02 -1.26 -0.83 118.70 116.98 2buv s GLU 176 Ca 0.16 -2.19 -0.27 0.00 0.02 0.00 0.00 54.97 52.69 2buv s GLU 176 Cb 0.07 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.99 2buv s GLU 176 CO -0.03 -1.21 1.32 1.03 0.02 0.00 0.00 175.26 176.39 2buv s ARG 177 N 0.08 3.27 -1.33 1.61 3.00 -0.60 -4.29 118.95 120.69 2buv s ARG 177 Ca 0.21 0.10 -0.07 0.00 0.00 0.00 0.00 55.73 55.96 2buv s ARG 177 Cb -0.18 -4.14 0.00 0.00 0.00 0.00 0.00 34.95 30.64 2buv s ARG 177 CO -0.05 -2.01 0.52 -0.25 0.00 0.00 0.00 175.30 173.51 2buv n ASP 178 N 9.38 -1.79 0.00 0.23 8.00 -1.26 -1.22 116.55 129.89 2buv n ASP 178 Ca 0.08 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.55 2buv n ASP 178 Cb 0.49 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 2buv n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buv n GLY 179 N -1.92 2.74 3.86 0.44 0.00 -1.26 -5.04 105.19 104.01 2buv n GLY 179 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2buv n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buv s GLU 180 N -0.36 3.83 -0.20 1.61 2.02 -0.35 -5.06 118.70 120.19 2buv s GLU 180 Ca 0.00 0.27 -0.16 0.00 0.02 0.00 0.00 54.97 55.10 2buv s GLU 180 Cb 0.00 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 2buv s GLU 180 CO 0.00 0.52 0.40 0.08 0.02 0.00 0.00 175.26 176.28 2buv s VAL 181 N -1.45 5.20 -0.05 2.63 1.01 -1.26 -1.56 120.40 124.91 2buv s VAL 181 Ca 0.36 0.73 0.05 0.00 0.00 0.00 0.00 61.98 63.11 2buv s VAL 181 Cb -0.14 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2buv s VAL 181 CO 0.19 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 2buv s VAL 182 N 1.26 1.72 -0.17 2.92 1.01 -0.01 -1.14 120.40 125.99 2buv s VAL 182 Ca 0.20 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2buv s VAL 182 Cb -0.15 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2buv s VAL 182 CO 0.08 0.48 -0.08 -0.31 0.00 0.00 0.00 175.10 175.28 2buv s TYR 183 N -0.02 2.92 -0.22 5.22 2.02 0.48 -0.38 117.35 127.37 2buv s TYR 183 Ca -0.05 -0.66 -0.13 0.00 -0.37 0.00 0.00 57.07 55.87 2buv s TYR 183 Cb -0.13 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 2buv s TYR 183 CO 0.03 -0.29 0.25 0.50 -1.57 0.00 0.00 175.55 174.48 2buv s ARG 184 N 0.76 4.11 -0.22 -0.62 6.06 -0.23 -1.70 118.95 127.11 2buv s ARG 184 Ca -0.03 -0.08 -0.02 0.00 -2.50 0.00 0.00 55.73 53.09 2buv s ARG 184 Cb -0.15 -3.54 0.07 0.00 0.06 0.00 0.00 34.95 31.39 2buv s ARG 184 CO 0.02 0.03 0.04 0.12 -2.50 0.00 0.00 175.30 173.01 2buv s PHE 185 N 1.14 1.17 -0.03 5.12 5.36 0.40 -1.81 117.98 129.33 2buv s PHE 185 Ca 0.12 -1.04 -0.04 0.00 -0.96 0.00 0.00 56.93 55.01 2buv s PHE 185 Cb -0.14 -1.15 -0.04 0.00 -0.34 0.00 0.00 43.02 41.35 2buv s PHE 185 CO 0.06 -0.67 0.19 -0.51 -1.46 0.00 0.00 175.22 172.83 2buv s ASP 186 N 1.81 6.40 -0.11 6.13 1.01 -1.26 -4.04 116.67 126.60 2buv s ASP 186 Ca 0.01 0.41 0.02 0.00 0.71 0.00 0.00 52.55 53.69 2buv s ASP 186 Cb -0.17 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 2buv s ASP 186 CO -0.12 0.29 -0.16 -0.63 0.21 0.00 0.00 175.17 174.76 2buv s ILE 187 N -1.27 2.85 -0.26 0.77 1.01 -0.65 -4.97 121.20 118.69 2buv s ILE 187 Ca 0.25 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2buv s ILE 187 Cb -0.13 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.24 2buv s ILE 187 CO 0.16 0.54 -0.09 -0.13 0.00 0.00 0.00 174.94 175.42 2buv s ARG 188 N 0.12 2.03 0.28 2.79 0.52 -1.26 -0.83 118.95 122.59 2buv s ARG 188 Ca -0.07 -1.27 0.09 0.00 -0.52 0.00 0.00 55.73 53.95 2buv s ARG 188 Cb -0.15 -2.82 0.39 0.00 0.52 0.00 0.00 34.95 32.89 2buv s ARG 188 CO 0.05 -0.60 1.64 0.82 0.02 0.00 0.00 175.30 177.23 2buv h ILE 189 N 6.73 1.40 -3.80 1.52 2.04 -1.64 0.90 117.51 124.67 2buv h ILE 189 Ca -0.18 -1.95 -0.10 0.00 1.00 0.00 0.00 64.86 63.64 2buv h ILE 189 Cb 1.05 2.03 -0.15 0.00 -0.74 0.00 0.00 36.82 39.01 2buv h ILE 189 CO 0.45 0.56 -0.42 -1.58 0.00 0.00 0.00 178.15 177.16 2buv s GLN 190 N -3.75 0.77 0.21 2.37 0.74 -1.26 -4.80 119.66 113.94 2buv s GLN 190 Ca -0.02 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.48 2buv s GLN 190 Cb 0.13 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.55 2buv s GLN 190 CO 0.76 -0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.69 2buv n GLY 191 N 0.17 -1.66 3.77 2.59 0.00 -1.26 -4.64 105.19 104.15 2buv n GLY 191 Ca -0.16 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 2buv n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buv s GLU 192 N 0.00 4.38 -1.40 1.61 2.02 -1.26 -2.82 118.70 121.23 2buv s GLU 192 Ca 0.00 1.84 -0.03 0.00 0.02 0.00 0.00 54.97 56.80 2buv s GLU 192 Cb 0.00 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.28 2buv s GLU 192 CO 0.00 -0.03 0.40 0.09 0.02 0.00 0.00 175.26 175.74 2buv n ASN 193 N 0.68 -5.48 -4.74 -0.19 3.02 -1.26 -4.92 115.26 102.37 2buv n ASN 193 Ca 0.01 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 2buv n ASN 193 Cb 0.45 -4.37 -0.02 0.00 -0.61 0.00 0.00 39.78 35.23 2buv n ASN 193 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2buv s GLU 194 N -5.39 4.17 0.32 3.52 2.12 -1.13 -4.65 118.70 117.66 2buv s GLU 194 Ca 0.20 2.49 -0.29 0.00 0.36 0.00 0.00 54.97 57.73 2buv s GLU 194 Cb -0.09 -3.08 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 2buv s GLU 194 CO 0.25 -0.61 1.32 0.99 -0.54 0.00 0.00 175.26 176.66 2buv s THR 195 N 0.47 2.72 0.22 -1.70 2.01 0.31 -4.95 115.64 114.73 2buv s THR 195 Ca 0.66 0.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 2buv s THR 195 Cb -0.46 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 2buv s THR 195 CO 0.40 0.17 1.46 -0.69 -0.69 0.00 0.00 174.62 175.27 2buv s VAL 196 N -1.05 2.71 0.00 3.82 1.01 -1.26 -4.94 120.40 120.69 2buv s VAL 196 Ca 0.50 0.57 0.08 0.00 0.00 0.00 0.00 61.98 63.12 2buv s VAL 196 Cb -0.40 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2buv s VAL 196 CO 0.52 0.08 -0.25 -0.36 0.00 0.00 0.00 175.10 175.09 2buv s PHE 197 N 0.33 2.19 0.21 5.22 0.08 -1.26 -4.69 117.98 120.05 2buv s PHE 197 Ca 0.62 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 57.32 2buv s PHE 197 Cb -0.42 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2buv s PHE 197 CO 0.40 0.01 0.12 -0.06 -0.10 0.00 0.00 175.22 175.59 2buv s PHE 198 N -0.65 3.04 -0.35 0.36 0.08 -0.43 -5.01 117.98 115.03 2buv s PHE 198 Ca 0.10 -0.09 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 2buv s PHE 198 Cb -0.09 -1.42 0.07 0.00 -0.57 0.00 0.00 43.02 41.00 2buv s PHE 198 CO -0.00 0.53 0.11 0.34 -0.10 0.00 0.00 175.22 176.10 2buv s ASP 199 N -3.39 5.18 0.00 1.36 -1.08 -1.26 -4.23 116.67 113.24 2buv s ASP 199 Ca 0.31 -1.49 0.24 0.00 -0.52 0.00 0.00 52.55 51.10 2buv s ASP 199 Cb -0.09 -1.81 0.28 0.00 -1.46 0.00 0.00 42.92 39.84 2buv s ASP 199 CO 0.23 -0.39 1.31 2.30 0.52 0.00 0.00 175.17 179.14