#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df5 s LYS 2 N 0.00 1.74 -0.12 0.03 1.02 -1.26 -1.66 119.74 119.50 2df5 s LYS 2 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 2df5 s LYS 2 Cb 0.00 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.85 2df5 s LYS 2 CO 0.00 0.05 -0.08 0.08 -0.92 0.00 0.00 175.35 174.48 2df5 s VAL 3 N 0.58 3.51 -0.18 3.17 1.01 0.50 -0.63 120.40 128.36 2df5 s VAL 3 Ca -0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2df5 s VAL 3 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2df5 s VAL 3 CO 0.04 0.53 -0.01 -0.22 0.00 0.00 0.00 175.10 175.44 2df5 s LEU 4 N 0.02 3.33 -0.05 3.92 0.20 0.55 -0.19 118.68 126.46 2df5 s LEU 4 Ca -0.02 -0.13 0.05 0.00 0.69 0.00 0.00 54.13 54.72 2df5 s LEU 4 Cb -0.14 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 2df5 s LEU 4 CO 0.03 0.13 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.33 2df5 s VAL 5 N 0.63 1.66 0.11 1.68 1.01 0.35 -0.14 120.40 125.70 2df5 s VAL 5 Ca -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2df5 s VAL 5 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2df5 s VAL 5 CO 0.02 0.47 -0.14 0.42 0.00 0.00 0.00 175.10 175.87 2df5 s THR 6 N 0.03 1.30 0.36 3.92 -4.23 -0.88 -1.25 115.64 114.90 2df5 s THR 6 Ca -0.06 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 2df5 s THR 6 Cb -0.13 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 2df5 s THR 6 CO 0.03 -0.38 0.22 -0.83 -0.54 0.00 0.00 174.62 173.13 2df5 s GLY 7 N -2.32 2.43 0.22 3.99 0.00 -0.69 -1.07 107.32 109.87 2df5 s GLY 7 Ca 0.07 -1.75 0.11 0.00 0.00 0.00 0.00 44.72 43.16 2df5 s GLY 7 CO 0.03 -1.60 -0.22 -1.36 0.00 0.00 0.00 173.10 169.95 2df5 s PHE 8 N -3.38 2.32 0.84 1.90 0.40 -1.26 -0.19 117.98 118.62 2df5 s PHE 8 Ca 0.34 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 2df5 s PHE 8 Cb 0.02 -1.11 0.10 0.00 0.51 0.00 0.00 43.02 42.55 2df5 s PHE 8 CO 0.23 0.56 1.14 -1.83 0.70 0.00 0.00 175.22 176.02 2df5 s GLU 9 N -2.93 1.69 0.56 0.44 -1.05 -0.86 -3.43 118.70 113.12 2df5 s GLU 9 Ca 0.24 0.29 -0.20 0.00 -0.15 0.00 0.00 54.97 55.14 2df5 s GLU 9 Cb -0.07 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.67 2df5 s GLU 9 CO 0.12 -1.82 1.24 -2.14 0.95 0.00 0.00 175.26 173.61 2df5 s PRO 10 N -5.37 3.13 0.32 -4.83 0.02 -1.26 -4.78 135.00 122.23 2df5 s PRO 10 Ca 0.62 1.92 -0.10 0.00 0.02 0.00 0.00 61.00 63.46 2df5 s PRO 10 Cb -0.13 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.32 2df5 s PRO 10 CO 0.52 -1.11 0.58 -0.59 -0.33 0.00 0.00 177.00 176.07 2df5 s PHE 11 N -1.51 0.51 -1.49 6.54 -0.71 -1.26 -4.88 117.98 115.19 2df5 s PHE 11 Ca 0.74 -0.92 -0.01 0.00 -1.04 0.00 0.00 56.93 55.70 2df5 s PHE 11 Cb -0.33 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 2df5 s PHE 11 CO 0.37 -1.21 0.10 0.41 -1.34 0.00 0.00 175.22 173.54 2df5 n GLY 12 N -0.49 -0.50 2.52 1.99 0.00 -1.26 -1.21 105.19 106.24 2df5 n GLY 12 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2df5 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df5 n GLY 13 N -1.01 2.51 3.77 -0.02 0.00 -1.26 -5.01 105.19 104.17 2df5 n GLY 13 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2df5 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2df5 s GLU 14 N -0.18 4.08 0.15 1.61 0.41 -0.35 -4.92 118.70 119.50 2df5 s GLU 14 Ca 0.00 2.38 -0.07 0.00 -0.41 0.00 0.00 54.97 56.87 2df5 s GLU 14 Cb 0.00 -2.91 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 2df5 s GLU 14 CO 0.00 -0.48 1.40 -0.22 -0.49 0.00 0.00 175.26 175.47 2df5 h LYS 15 N 2.94 0.64 -4.84 1.61 1.63 -1.95 -3.38 116.57 113.22 2df5 h LYS 15 Ca -0.50 -0.48 -0.39 0.00 -0.85 0.00 0.00 60.65 58.42 2df5 h LYS 15 Cb 1.24 0.09 -0.14 0.00 -0.60 0.00 0.00 32.23 32.82 2df5 h LYS 15 CO 0.64 1.10 -0.56 0.96 -3.45 0.00 0.00 179.45 178.14 2df5 s ILE 16 N -3.80 0.25 -0.11 2.00 -4.36 -1.26 -4.84 121.20 109.08 2df5 s ILE 16 Ca -0.08 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.27 2df5 s ILE 16 Cb 0.10 -2.51 0.05 0.00 1.25 0.00 0.00 42.46 41.34 2df5 s ILE 16 CO 0.87 0.00 0.07 0.21 0.24 0.00 0.00 174.94 176.33 2df5 s ASN 17 N -3.34 1.81 0.47 4.36 3.84 -1.26 -4.73 114.94 116.08 2df5 s ASN 17 Ca 0.37 -0.29 0.18 0.00 0.21 0.00 0.00 52.86 53.32 2df5 s ASN 17 Cb 0.05 -0.23 1.16 0.00 -0.55 0.00 0.00 41.25 41.68 2df5 s ASN 17 CO 0.18 -0.29 1.99 1.55 -2.79 0.00 0.00 177.10 177.73 2df5 h PRO 18 N 8.41 0.25 0.00 0.43 0.13 -1.93 -1.40 132.00 137.90 2df5 h PRO 18 Ca -0.14 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2df5 h PRO 18 Cb 1.13 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2df5 h PRO 18 CO 0.23 0.17 -0.13 1.79 -0.23 0.00 0.00 178.00 179.83 2df5 h THR 19 N 0.26 0.64 -0.38 1.56 1.35 -1.92 -1.75 112.91 112.68 2df5 h THR 19 Ca 0.27 -0.54 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 2df5 h THR 19 Cb 0.70 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2df5 h THR 19 CO -0.06 0.12 -0.26 -0.08 -0.25 0.00 0.00 175.52 174.99 2df5 h GLU 20 N 0.00 0.78 -0.30 4.72 4.81 -1.27 -1.12 114.58 122.20 2df5 h GLU 20 Ca -0.00 -0.34 -0.15 0.00 -0.13 0.00 0.00 59.36 58.74 2df5 h GLU 20 Cb 0.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2df5 h GLU 20 CO 0.02 0.96 -0.41 0.00 -0.73 0.00 0.00 179.01 178.84 2df5 h ARG 21 N 0.67 0.74 -0.49 1.92 3.08 -1.41 -2.65 114.38 116.24 2df5 h ARG 21 Ca 0.08 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 2df5 h ARG 21 Cb 0.79 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2df5 h ARG 21 CO 0.07 1.01 0.21 0.82 -1.07 0.00 0.00 179.97 181.01 2df5 h ILE 22 N 0.60 1.20 -0.81 2.04 2.04 -1.16 -0.19 117.51 121.24 2df5 h ILE 22 Ca 0.05 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2df5 h ILE 22 Cb 0.96 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2df5 h ILE 22 CO 0.09 0.23 0.49 0.00 0.00 0.00 0.00 178.15 178.97 2df5 h ALA 23 N 1.06 1.03 -0.35 1.87 0.00 -1.12 -2.01 119.26 119.74 2df5 h ALA 23 Ca 0.17 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2df5 h ALA 23 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2df5 h ALA 23 CO -0.02 0.49 -0.37 0.87 0.00 0.00 0.00 179.25 180.22 2df5 h LYS 24 N 1.11 0.81 0.00 0.00 1.57 -1.10 -1.12 116.57 117.83 2df5 h LYS 24 Ca 0.29 -0.41 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 2df5 h LYS 24 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2df5 h LYS 24 CO -0.06 1.04 -0.51 -0.44 -0.57 0.00 0.00 179.45 178.91 2df5 h ASP 25 N 0.67 0.00 0.62 0.86 3.45 -0.81 -3.11 116.42 118.09 2df5 h ASP 25 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 2df5 h ASP 25 Cb 0.92 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 2df5 h ASP 25 CO 0.08 0.51 -1.14 0.18 -1.57 0.00 0.00 179.24 177.30 2df5 n LEU 26 N -3.91 0.61 -4.67 1.55 4.77 -0.78 -4.82 117.00 109.76 2df5 n LEU 26 Ca -0.01 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2df5 n LEU 26 Cb 0.53 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2df5 n LEU 26 CO 0.41 -0.06 1.56 -0.62 -1.33 0.00 0.00 177.39 177.35 2df5 s ASP 27 N -4.61 6.43 0.00 -1.43 3.68 -0.43 -2.12 116.67 118.20 2df5 s ASP 27 Ca 0.00 2.72 0.00 0.00 2.13 0.00 0.00 52.55 57.40 2df5 s ASP 27 Cb 0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 2df5 s ASP 27 CO 0.81 -1.04 0.00 0.61 0.13 0.00 0.00 175.17 175.67 2df5 n GLY 28 N 4.45 1.14 3.89 2.66 0.00 0.01 -4.81 105.19 112.54 2df5 n GLY 28 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2df5 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2df5 s ILE 29 N -2.94 2.00 -0.02 -0.61 -4.36 -0.90 -4.80 121.20 109.56 2df5 s ILE 29 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2df5 s ILE 29 Cb 0.00 -2.98 0.01 0.00 1.25 0.00 0.00 42.46 40.74 2df5 s ILE 29 CO 0.00 0.00 -0.03 -0.54 0.24 0.00 0.00 174.94 174.61 2df5 s LYS 30 N -5.58 0.48 -0.53 0.37 1.02 -1.26 -1.36 119.74 112.87 2df5 s LYS 30 Ca 0.63 -0.07 -0.04 0.00 0.02 0.00 0.00 55.97 56.52 2df5 s LYS 30 Cb -0.11 -0.53 0.14 0.00 -0.52 0.00 0.00 37.83 36.81 2df5 s LYS 30 CO 0.50 -0.03 0.35 0.42 -0.92 0.00 0.00 175.35 175.66 2df5 s ILE 31 N 0.56 3.62 0.00 2.17 1.01 -0.73 -4.95 121.20 122.87 2df5 s ILE 31 Ca -0.06 -2.51 0.00 0.00 0.00 0.00 0.00 60.65 58.08 2df5 s ILE 31 Cb -0.09 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2df5 s ILE 31 CO -0.01 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.74 2df5 n GLY 32 N 4.04 0.95 0.14 6.18 0.00 -1.26 -2.67 105.19 112.57 2df5 n GLY 32 Ca 0.03 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.56 2df5 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2df5 n ASP 33 N 7.27 1.04 -4.73 1.61 8.00 -1.26 -4.92 116.55 123.56 2df5 n ASP 33 Ca 0.00 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.25 2df5 n ASP 33 Cb 0.00 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 2df5 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2df5 s ALA 34 N -2.80 3.42 -0.18 2.24 0.00 -1.09 -4.69 121.76 118.67 2df5 s ALA 34 Ca 0.14 0.91 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 2df5 s ALA 34 Cb 0.18 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2df5 s ALA 34 CO 0.69 -0.39 0.11 -0.65 0.00 0.00 0.00 175.76 175.51 2df5 s GLN 35 N 0.26 4.03 -0.13 0.00 -1.52 -0.66 -1.77 119.66 119.86 2df5 s GLN 35 Ca 0.55 -0.26 -0.05 0.00 -1.95 0.00 0.00 55.36 53.65 2df5 s GLN 35 Cb -0.31 -3.32 -0.04 0.00 -0.22 0.00 0.00 33.01 29.12 2df5 s GLN 35 CO 0.34 0.34 0.06 0.08 -0.25 0.00 0.00 175.29 175.86 2df5 s VAL 36 N 0.21 4.79 -0.12 1.09 1.01 -0.46 -0.37 120.40 126.54 2df5 s VAL 36 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2df5 s VAL 36 Cb -0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2df5 s VAL 36 CO -0.01 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.11 2df5 s PHE 37 N -0.42 2.71 -0.16 5.22 0.40 0.74 -0.81 117.98 125.65 2df5 s PHE 37 Ca 0.09 -0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 55.51 2df5 s PHE 37 Cb -0.12 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 2df5 s PHE 37 CO 0.02 -0.36 -0.10 0.20 0.70 0.00 0.00 175.22 175.69 2df5 s GLY 38 N 0.45 1.57 0.01 4.36 0.00 -1.26 -0.49 107.32 111.97 2df5 s GLY 38 Ca -0.13 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2df5 s GLY 38 CO 0.06 0.02 -0.07 0.50 0.00 0.00 0.00 173.10 173.61 2df5 s ARG 39 N 0.72 0.49 -0.16 2.90 1.81 -0.38 -4.75 118.95 119.58 2df5 s ARG 39 Ca -0.05 -0.39 -0.08 0.00 -1.72 0.00 0.00 55.73 53.50 2df5 s ARG 39 Cb -0.15 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.90 2df5 s ARG 39 CO 0.02 0.10 0.11 0.08 -0.68 0.00 0.00 175.30 174.93 2df5 s VAL 40 N -0.54 5.19 0.07 3.52 1.01 -1.26 -1.71 120.40 126.69 2df5 s VAL 40 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2df5 s VAL 40 Cb -0.05 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2df5 s VAL 40 CO 0.00 0.51 0.05 -0.76 0.00 0.00 0.00 175.10 174.91 2df5 s LEU 41 N -0.17 3.71 0.38 3.92 1.43 0.73 -4.93 118.68 123.75 2df5 s LEU 41 Ca 0.09 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 2df5 s LEU 41 Cb -0.12 -2.36 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 2df5 s LEU 41 CO 0.01 0.19 0.90 -2.16 0.23 0.00 0.00 176.35 175.52 2df5 s PRO 42 N -2.24 4.26 -1.29 1.29 0.04 -1.26 -2.03 135.00 133.77 2df5 s PRO 42 Ca 0.27 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2df5 s PRO 42 Cb -0.12 -2.37 0.16 0.00 0.04 0.00 0.00 34.50 32.20 2df5 s PRO 42 CO 0.19 0.08 2.03 0.28 0.04 0.00 0.00 177.00 179.63 2df5 n VAL 43 N -0.30 4.69 -3.70 -0.36 0.31 -1.26 -4.52 118.33 113.19 2df5 n VAL 43 Ca 0.05 -4.44 -0.17 0.00 -0.01 0.00 0.00 64.34 59.77 2df5 n VAL 43 Cb 0.53 -2.25 -0.16 0.00 -0.91 0.00 0.00 33.84 31.05 2df5 n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2df5 s VAL 44 N -0.28 -0.15 0.55 2.52 1.01 -1.26 -1.45 120.40 121.33 2df5 s VAL 44 Ca 0.44 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 2df5 s VAL 44 Cb 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 2df5 s VAL 44 CO -0.02 0.14 1.33 -0.36 0.00 0.00 0.00 175.10 176.19 2df5 s PHE 45 N 1.91 2.33 0.00 5.22 0.40 -1.26 -0.82 117.98 125.75 2df5 s PHE 45 Ca -0.00 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 2df5 s PHE 45 Cb -0.12 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.66 2df5 s PHE 45 CO -0.05 -2.76 0.00 0.41 0.70 0.00 0.00 175.22 173.52 2df5 n GLY 46 N 0.70 2.20 0.27 4.36 0.00 -1.26 -4.47 105.19 106.99 2df5 n GLY 46 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2df5 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2df5 h LYS 47 N 0.00 0.48 -0.07 1.61 1.63 -1.96 0.17 116.57 118.44 2df5 h LYS 47 Ca 0.00 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 2df5 h LYS 47 Cb 0.00 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2df5 h LYS 47 CO 0.00 0.32 -0.26 0.00 -3.45 0.00 0.00 179.45 176.06 2df5 h ALA 48 N 1.50 1.44 0.20 5.00 0.00 -1.20 -1.55 119.26 124.65 2df5 h ALA 48 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2df5 h ALA 48 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2df5 h ALA 48 CO -0.35 0.40 -0.10 -0.22 0.00 0.00 0.00 179.25 178.99 2df5 h LYS 49 N 0.11 -0.26 -0.92 0.00 3.64 -0.98 -0.11 116.57 118.05 2df5 h LYS 49 Ca 0.02 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2df5 h LYS 49 Cb 0.53 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 2df5 h LYS 49 CO 0.04 0.04 0.56 0.93 -2.27 0.00 0.00 179.45 178.75 2df5 h GLU 50 N -0.56 0.92 -0.17 1.90 5.08 -0.76 0.55 114.58 121.54 2df5 h GLU 50 Ca -0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2df5 h GLU 50 Cb 0.42 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2df5 h GLU 50 CO 0.04 0.61 -0.12 0.28 -1.00 0.00 0.00 179.01 178.82 2df5 h VAL 51 N 0.94 1.33 -0.32 3.13 2.07 -1.19 -1.28 116.25 120.93 2df5 h VAL 51 Ca 0.43 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2df5 h VAL 51 Cb 0.34 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2df5 h VAL 51 CO -0.23 0.36 0.19 0.25 0.02 0.00 0.00 177.57 178.16 2df5 h LEU 52 N 0.04 0.31 -0.31 2.57 6.46 -0.52 0.84 115.31 124.69 2df5 h LEU 52 Ca 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2df5 h LEU 52 Cb 0.62 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2df5 h LEU 52 CO 0.03 0.22 0.19 -0.08 -0.62 0.00 0.00 178.44 178.19 2df5 h GLU 53 N 0.39 0.41 -0.52 1.25 4.57 -0.91 -0.04 114.58 119.73 2df5 h GLU 53 Ca 0.12 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2df5 h GLU 53 Cb -0.00 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2df5 h GLU 53 CO -0.06 0.31 0.08 -0.22 -1.18 0.00 0.00 179.01 177.94 2df5 h LYS 54 N 0.40 0.83 -0.21 1.92 3.64 -0.92 -1.15 116.57 121.07 2df5 h LYS 54 Ca 0.11 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2df5 h LYS 54 Cb -0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2df5 h LYS 54 CO -0.02 0.78 -0.31 1.15 -2.27 0.00 0.00 179.45 178.78 2df5 h THR 55 N 0.79 1.33 -0.43 1.00 2.02 -0.54 -1.30 112.91 115.78 2df5 h THR 55 Ca 0.16 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 2df5 h THR 55 Cb 0.37 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2df5 h THR 55 CO 0.01 0.47 0.20 -0.07 0.37 0.00 0.00 175.52 176.50 2df5 h LEU 56 N 0.27 0.57 -0.65 2.58 3.38 -0.87 0.45 115.31 121.03 2df5 h LEU 56 Ca 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2df5 h LEU 56 Cb 0.89 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2df5 h LEU 56 CO 0.07 0.54 0.31 -0.08 0.09 0.00 0.00 178.44 179.38 2df5 h GLU 57 N 0.55 0.94 0.51 1.13 4.57 -1.21 0.39 114.58 121.46 2df5 h GLU 57 Ca 0.15 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2df5 h GLU 57 Cb 0.13 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2df5 h GLU 57 CO -0.02 0.75 -0.24 1.49 -1.18 0.00 0.00 179.01 179.81 2df5 h GLU 58 N 0.90 -0.66 0.12 1.92 4.81 -0.84 -3.34 114.58 117.50 2df5 h GLU 58 Ca 0.22 0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.19 2df5 h GLU 58 Cb 0.13 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2df5 h GLU 58 CO -0.03 -0.40 -1.51 0.82 -0.73 0.00 0.00 179.01 177.16 2df5 h ILE 59 N -0.77 1.17 -5.90 2.32 2.04 -0.91 -3.49 117.51 111.98 2df5 h ILE 59 Ca -0.07 -2.81 -0.36 0.00 1.00 0.00 0.00 64.86 62.62 2df5 h ILE 59 Cb 0.56 2.77 0.13 0.00 -0.74 0.00 0.00 36.82 39.54 2df5 h ILE 59 CO 0.11 0.82 -0.89 0.29 0.00 0.00 0.00 178.15 178.49 2df5 n LYS 60 N -3.46 -2.43 -0.84 2.37 5.02 0.14 -4.94 118.16 114.02 2df5 n LYS 60 Ca -0.16 0.65 -0.30 0.00 -2.02 0.00 0.00 58.31 56.48 2df5 n LYS 60 Cb 1.04 -5.00 0.16 0.00 -0.02 0.00 0.00 35.03 31.21 2df5 n LYS 60 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2df5 s PRO 61 N -5.37 0.98 -0.17 1.97 0.02 -1.26 -4.90 135.00 126.26 2df5 s PRO 61 Ca 0.37 1.29 0.12 0.00 0.02 0.00 0.00 61.00 62.80 2df5 s PRO 61 Cb -0.09 -1.74 -0.23 0.00 0.02 0.00 0.00 34.50 32.45 2df5 s PRO 61 CO 0.80 -2.57 0.18 -0.25 -0.33 0.00 0.00 177.00 174.83 2df5 n ASP 62 N -4.17 0.72 -4.04 2.53 8.00 0.19 -4.01 116.55 115.77 2df5 n ASP 62 Ca 0.09 0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.46 2df5 n ASP 62 Cb 0.53 0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.83 2df5 n ASP 62 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2df5 s ILE 63 N -2.53 0.99 -0.12 0.53 1.01 -1.17 -1.88 121.20 118.03 2df5 s ILE 63 Ca -0.14 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 2df5 s ILE 63 Cb 0.07 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.70 2df5 s ILE 63 CO 0.78 0.30 -0.10 0.00 0.00 0.00 0.00 174.94 175.93 2df5 s ALA 64 N 0.13 1.48 -0.24 9.38 0.00 0.41 -0.33 121.76 132.59 2df5 s ALA 64 Ca -0.03 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2df5 s ALA 64 Cb -0.09 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.13 2df5 s ALA 64 CO 0.01 -0.41 -0.10 0.42 0.00 0.00 0.00 175.76 175.68 2df5 s ILE 65 N 1.64 1.97 -0.21 0.00 1.01 0.80 -2.18 121.20 124.24 2df5 s ILE 65 Ca 0.05 -1.45 -0.12 0.00 0.00 0.00 0.00 60.65 59.13 2df5 s ILE 65 Cb -0.13 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2df5 s ILE 65 CO -0.09 0.01 0.23 -1.00 0.00 0.00 0.00 174.94 174.08 2df5 s HIS 66 N 1.21 3.38 0.00 3.97 3.76 -0.92 -2.06 115.29 124.62 2df5 s HIS 66 Ca -0.07 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.29 2df5 s HIS 66 Cb -0.19 -2.31 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 2df5 s HIS 66 CO -0.06 0.13 -0.11 0.08 -0.85 0.00 0.00 174.74 173.93 2df5 s VAL 67 N 0.84 3.30 0.12 -0.90 1.01 -0.23 0.04 120.40 124.57 2df5 s VAL 67 Ca 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2df5 s VAL 67 Cb -0.13 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2df5 s VAL 67 CO 0.04 0.42 0.18 -0.83 0.00 0.00 0.00 175.10 174.91 2df5 s GLY 68 N -1.27 0.41 -0.04 4.51 0.00 -0.35 -4.13 107.32 106.44 2df5 s GLY 68 Ca 0.15 -0.91 -0.24 0.00 0.00 0.00 0.00 44.72 43.73 2df5 s GLY 68 CO 0.05 -0.95 0.71 -2.27 0.00 0.00 0.00 173.10 170.64 2df5 s LEU 69 N -2.93 4.34 -0.60 0.66 0.20 -1.26 -1.34 118.68 117.75 2df5 s LEU 69 Ca 0.12 1.23 0.04 0.00 0.69 0.00 0.00 54.13 56.22 2df5 s LEU 69 Cb 0.05 -3.10 0.15 0.00 -0.43 0.00 0.00 46.19 42.86 2df5 s LEU 69 CO -0.05 -0.08 0.37 0.00 -0.29 0.00 0.00 176.35 176.29 2df5 s ALA 70 N 0.61 3.49 0.12 5.97 0.00 -0.53 -4.89 121.76 126.54 2df5 s ALA 70 Ca 0.37 -3.51 -0.35 0.00 0.00 0.00 0.00 51.96 48.47 2df5 s ALA 70 Cb -0.18 -2.15 -0.15 0.00 0.00 0.00 0.00 23.12 20.63 2df5 s ALA 70 CO 0.19 -2.06 1.45 -2.30 0.00 0.00 0.00 175.76 173.04 2df5 n PRO 71 N 2.59 1.62 0.00 0.00 -0.02 -1.26 -1.55 135.00 136.38 2df5 n PRO 71 Ca 0.12 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2df5 n PRO 71 Cb 0.34 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2df5 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2df5 n GLY 72 N 2.93 3.20 3.76 -1.23 0.00 -1.26 -5.03 105.19 107.56 2df5 n GLY 72 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2df5 n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2df5 s ARG 73 N -0.73 4.47 0.03 1.61 6.06 -0.60 -4.60 118.95 125.18 2df5 s ARG 73 Ca 0.00 2.03 0.22 0.00 -2.50 0.00 0.00 55.73 55.48 2df5 s ARG 73 Cb 0.00 -3.14 -0.04 0.00 0.06 0.00 0.00 34.95 31.82 2df5 s ARG 73 CO 0.00 -0.06 0.94 -1.13 -2.50 0.00 0.00 175.30 172.55 2df5 n SER 74 N 1.37 0.61 -3.68 -2.12 3.41 -1.26 -4.51 113.62 107.44 2df5 n SER 74 Ca 0.01 -0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.15 2df5 n SER 74 Cb 0.43 0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 65.29 2df5 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2df5 s ALA 75 N -3.19 0.79 0.31 7.33 0.00 -1.26 -4.78 121.76 120.95 2df5 s ALA 75 Ca 0.03 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 2df5 s ALA 75 Cb 0.15 1.24 -0.10 0.00 0.00 0.00 0.00 23.12 24.41 2df5 s ALA 75 CO 0.83 -0.74 1.31 0.42 0.00 0.00 0.00 175.76 177.57 2df5 s ILE 76 N -3.62 2.80 -0.06 0.00 -1.09 -0.98 -4.45 121.20 113.81 2df5 s ILE 76 Ca 0.32 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 2df5 s ILE 76 Cb 0.02 -3.50 0.02 0.00 -1.58 0.00 0.00 42.46 37.42 2df5 s ILE 76 CO 0.17 0.18 -0.04 -0.94 -1.23 0.00 0.00 174.94 173.07 2df5 s SER 77 N -0.37 1.23 -0.22 3.58 1.04 -0.83 -1.33 113.70 116.81 2df5 s SER 77 Ca 0.50 -0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.65 2df5 s SER 77 Cb -0.39 -0.49 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 2df5 s SER 77 CO 0.50 -0.09 0.36 -0.63 0.98 0.00 0.00 173.24 174.36 2df5 s ILE 78 N 1.25 5.22 0.03 -1.02 1.09 -0.24 -1.15 121.20 126.37 2df5 s ILE 78 Ca -0.06 0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 59.80 2df5 s ILE 78 Cb -0.14 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2df5 s ILE 78 CO -0.02 0.25 1.11 -1.61 -0.10 0.00 0.00 174.94 174.57 2df5 s GLU 79 N 1.39 4.48 -0.11 2.79 0.41 -0.30 -0.60 118.70 126.76 2df5 s GLU 79 Ca 0.17 1.62 -0.09 0.00 -0.41 0.00 0.00 54.97 56.25 2df5 s GLU 79 Cb -0.15 -3.40 -0.27 0.00 -1.78 0.00 0.00 34.13 28.53 2df5 s GLU 79 CO 0.08 -0.18 0.44 -0.09 -0.49 0.00 0.00 175.26 175.01 2df5 h ARG 80 N 6.83 0.28 -5.60 1.61 2.43 -1.42 -3.41 114.38 115.10 2df5 h ARG 80 Ca -0.41 -0.47 -0.51 0.00 -0.81 0.00 0.00 59.98 57.78 2df5 h ARG 80 Cb 1.21 0.18 -0.27 0.00 -0.42 0.00 0.00 29.97 30.67 2df5 h ARG 80 CO 0.79 1.23 -0.82 0.42 -1.51 0.00 0.00 179.97 180.08 2df5 s ILE 81 N -2.54 1.32 -0.11 1.20 1.01 -1.26 -0.98 121.20 119.84 2df5 s ILE 81 Ca -0.21 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.51 2df5 s ILE 81 Cb 0.06 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2df5 s ILE 81 CO 0.78 0.19 -0.15 0.00 0.00 0.00 0.00 174.94 175.75 2df5 s ALA 82 N -0.67 2.54 -0.09 9.38 0.00 -0.18 -4.27 121.76 128.47 2df5 s ALA 82 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2df5 s ALA 82 Cb -0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2df5 s ALA 82 CO 0.01 0.31 -0.02 0.08 0.00 0.00 0.00 175.76 176.14 2df5 s VAL 83 N 0.17 4.15 -1.56 0.00 1.01 -1.26 -1.23 120.40 121.68 2df5 s VAL 83 Ca -0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2df5 s VAL 83 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2df5 s VAL 83 CO 0.05 0.59 2.68 -3.20 0.00 0.00 0.00 175.10 175.23 2df5 n ASN 84 N 2.32 6.92 -3.43 3.32 5.15 -0.47 -4.83 115.26 124.24 2df5 n ASN 84 Ca -0.18 -2.68 -0.12 0.00 -0.60 0.00 0.00 54.58 51.00 2df5 n ASN 84 Cb 0.53 -1.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.16 2df5 n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2df5 s ALA 85 N 2.53 -1.60 -0.05 5.20 0.00 -1.26 -3.77 121.76 122.81 2df5 s ALA 85 Ca 0.61 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2df5 s ALA 85 Cb 0.16 0.82 0.02 0.00 0.00 0.00 0.00 23.12 24.12 2df5 s ALA 85 CO -0.07 -0.74 -0.03 0.42 0.00 0.00 0.00 175.76 175.34 2df5 s ILE 86 N -3.55 0.51 -0.45 0.00 1.01 0.81 -4.73 121.20 114.81 2df5 s ILE 86 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2df5 s ILE 86 Cb -0.01 -0.57 0.25 0.00 0.01 0.00 0.00 42.46 42.13 2df5 s ILE 86 CO -0.11 0.24 0.75 -0.67 0.00 0.00 0.00 174.94 175.15 2df5 n ASP 87 N 4.39 -1.63 -4.67 3.58 4.64 -0.69 -1.67 116.55 120.51 2df5 n ASP 87 Ca -0.19 -3.07 -0.42 0.00 -1.38 0.00 0.00 54.79 49.72 2df5 n ASP 87 Cb 0.51 0.83 -0.03 0.00 -1.04 0.00 0.00 41.12 41.39 2df5 n ASP 87 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2df5 s ALA 88 N -0.10 3.62 0.25 -1.67 0.00 -0.31 -4.73 121.76 118.81 2df5 s ALA 88 Ca 0.33 1.33 -0.03 0.00 0.00 0.00 0.00 51.96 53.60 2df5 s ALA 88 Cb 0.21 -3.83 0.29 0.00 0.00 0.00 0.00 23.12 19.80 2df5 s ALA 88 CO -0.19 -1.50 1.73 0.00 0.00 0.00 0.00 175.76 175.80 2df5 h ARG 89 N 10.20 0.81 -5.65 0.00 3.08 -1.89 -3.44 114.38 117.49 2df5 h ARG 89 Ca -0.49 -0.24 -0.48 0.00 0.07 0.00 0.00 59.98 58.85 2df5 h ARG 89 Cb 1.23 -0.08 -0.14 0.00 0.08 0.00 0.00 29.97 31.06 2df5 h ARG 89 CO 0.94 0.84 -0.73 0.96 -1.07 0.00 0.00 179.97 180.91 2df5 s ILE 90 N -4.93 1.83 0.80 2.04 -4.36 -1.26 -5.14 121.20 110.19 2df5 s ILE 90 Ca -0.10 -2.23 -0.11 0.00 -0.26 0.00 0.00 60.65 57.95 2df5 s ILE 90 Cb 0.14 -2.16 0.07 0.00 1.25 0.00 0.00 42.46 41.76 2df5 s ILE 90 CO 0.82 -0.51 1.10 -2.16 0.24 0.00 0.00 174.94 174.42 2df5 s PRO 91 N -3.64 2.06 0.32 0.37 0.04 -1.26 -4.79 135.00 128.10 2df5 s PRO 91 Ca 0.25 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 2df5 s PRO 91 Cb -0.01 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.69 2df5 s PRO 91 CO 0.09 -1.64 0.43 -0.40 0.04 0.00 0.00 177.00 175.53 2df5 n ASP 92 N -3.45 0.14 0.00 6.66 3.85 -0.32 -4.84 116.55 118.60 2df5 n ASP 92 Ca 0.07 -1.22 0.05 0.00 -0.71 0.00 0.00 54.79 52.98 2df5 n ASP 92 Cb 0.56 -0.32 0.29 0.00 -1.35 0.00 0.00 41.12 40.30 2df5 n ASP 92 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2df5 n ASN 93 N -3.22 0.00 -0.30 -1.12 5.03 -0.53 -1.28 115.26 113.84 2df5 n ASN 93 Ca 0.06 -0.62 0.04 0.00 0.87 0.00 0.00 54.58 54.92 2df5 n ASN 93 Cb 0.20 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.99 2df5 n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2df5 n GLU 94 N -0.83 0.15 -0.62 3.52 -0.58 -1.26 -4.97 120.64 116.05 2df5 n GLU 94 Ca 0.07 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.87 2df5 n GLU 94 Cb 0.03 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2df5 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2df5 n GLY 95 N 0.44 0.71 3.62 0.62 0.00 -0.40 -5.03 105.19 105.15 2df5 n GLY 95 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2df5 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2df5 s LYS 96 N -0.38 4.02 -0.50 1.61 1.02 -1.26 -4.70 119.74 119.54 2df5 s LYS 96 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.74 2df5 s LYS 96 Cb 0.00 -3.72 0.13 0.00 -0.52 0.00 0.00 37.83 33.73 2df5 s LYS 96 CO 0.00 -0.70 0.28 0.21 -0.92 0.00 0.00 175.35 174.22 2df5 s LYS 97 N 3.08 2.11 -0.04 1.68 2.20 -1.26 -1.17 119.74 126.34 2df5 s LYS 97 Ca 0.35 -2.30 -0.20 0.00 -0.36 0.00 0.00 55.97 53.47 2df5 s LYS 97 Cb -0.14 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 2df5 s LYS 97 CO 0.12 -1.10 0.57 0.42 -0.36 0.00 0.00 175.35 175.01 2df5 s ILE 98 N 0.29 5.00 -0.06 5.43 1.01 -1.26 -4.96 121.20 126.64 2df5 s ILE 98 Ca 0.14 1.19 0.04 0.00 0.00 0.00 0.00 60.65 62.01 2df5 s ILE 98 Cb -0.22 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2df5 s ILE 98 CO -0.03 0.38 -0.17 -1.61 0.00 0.00 0.00 174.94 173.51 2df5 s GLU 99 N 0.08 2.03 -1.13 2.79 0.41 -1.26 -1.16 118.70 120.46 2df5 s GLU 99 Ca 0.30 -0.60 -0.23 0.00 -0.41 0.00 0.00 54.97 54.03 2df5 s GLU 99 Cb -0.17 -1.67 0.01 0.00 -1.78 0.00 0.00 34.13 30.52 2df5 s GLU 99 CO 0.16 0.15 0.76 -0.25 -0.49 0.00 0.00 175.26 175.58 2df5 n ASP 100 N 3.47 -5.08 -3.98 -0.19 8.00 -0.67 -4.95 116.55 113.14 2df5 n ASP 100 Ca -0.20 -1.07 -0.15 0.00 0.71 0.00 0.00 54.79 54.08 2df5 n ASP 100 Cb 0.52 -2.89 -0.14 0.00 -0.02 0.00 0.00 41.12 38.59 2df5 n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2df5 s GLU 101 N -6.23 0.47 0.67 -1.24 2.12 -0.95 -4.98 118.70 108.57 2df5 s GLU 101 Ca 0.45 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.34 2df5 s GLU 101 Cb -0.18 -0.41 0.00 0.00 0.26 0.00 0.00 34.13 33.79 2df5 s GLU 101 CO 0.89 0.11 1.07 -1.25 -0.54 0.00 0.00 175.26 175.53 2df5 s PRO 102 N -0.42 2.95 -0.18 4.30 0.04 -1.26 -0.14 135.00 140.29 2df5 s PRO 102 Ca -0.00 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 2df5 s PRO 102 Cb -0.04 -1.99 -0.21 0.00 0.04 0.00 0.00 34.50 32.30 2df5 s PRO 102 CO -0.00 -1.10 0.43 0.82 0.04 0.00 0.00 177.00 177.19 2df5 h ILE 103 N -0.39 1.25 -3.24 0.56 2.04 -1.85 -3.44 117.51 112.44 2df5 h ILE 103 Ca -0.45 -2.20 -0.60 0.00 1.00 0.00 0.00 64.86 62.61 2df5 h ILE 103 Cb 1.22 2.63 -0.40 0.00 -0.74 0.00 0.00 36.82 39.52 2df5 h ILE 103 CO 0.56 0.42 -0.75 -0.69 0.00 0.00 0.00 178.15 177.69 2df5 s VAL 104 N -2.29 1.16 0.17 1.67 1.01 -1.26 -5.07 120.40 115.80 2df5 s VAL 104 Ca -0.24 -1.64 -0.33 0.00 0.00 0.00 0.00 61.98 59.76 2df5 s VAL 104 Cb 0.02 -1.87 -0.15 0.00 0.00 0.00 0.00 36.38 34.38 2df5 s VAL 104 CO 0.61 -0.68 1.29 -2.65 0.00 0.00 0.00 175.10 173.67 2df5 n PRO 105 N 4.66 1.46 0.00 2.72 -0.02 -1.26 -1.30 135.00 141.25 2df5 n PRO 105 Ca -0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2df5 n PRO 105 Cb 0.42 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2df5 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2df5 n GLY 106 N 2.25 2.86 3.89 -1.23 0.00 -1.26 -5.01 105.19 106.68 2df5 n GLY 106 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2df5 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df5 s ALA 107 N -2.38 2.97 0.33 4.61 0.00 -0.42 -5.00 121.76 121.87 2df5 s ALA 107 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 2df5 s ALA 107 Cb 0.00 -2.97 -0.13 0.00 0.00 0.00 0.00 23.12 20.02 2df5 s ALA 107 CO 0.00 -1.04 1.05 -2.30 0.00 0.00 0.00 175.76 173.46 2df5 n PRO 108 N -2.92 1.48 0.27 0.00 -0.02 -1.26 -4.87 135.00 127.68 2df5 n PRO 108 Ca 0.06 0.52 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 2df5 n PRO 108 Cb 0.57 -1.96 0.94 0.00 -0.02 0.00 0.00 33.50 33.03 2df5 n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2df5 h THR 109 N 1.98 0.34 -2.43 3.45 2.02 -1.94 -3.40 112.91 112.92 2df5 h THR 109 Ca -0.42 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.83 2df5 h THR 109 Cb 1.33 0.90 -0.15 0.00 -1.74 0.00 0.00 68.15 68.50 2df5 h THR 109 CO 0.60 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.90 2df5 s ALA 110 N -4.48 -1.77 -0.02 6.16 0.00 -1.26 -1.37 121.76 119.02 2df5 s ALA 110 Ca -0.05 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.86 2df5 s ALA 110 Cb 0.14 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2df5 s ALA 110 CO 0.49 -0.68 -0.12 0.71 0.00 0.00 0.00 175.76 176.15 2df5 s TYR 111 N -3.15 1.17 0.11 0.00 1.51 -0.36 -4.98 117.35 111.65 2df5 s TYR 111 Ca 0.03 -0.26 -0.22 0.00 -1.01 0.00 0.00 57.07 55.61 2df5 s TYR 111 Cb -0.01 -0.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.99 2df5 s TYR 111 CO -0.09 -0.06 0.67 -0.06 -1.11 0.00 0.00 175.55 174.90 2df5 s PHE 112 N -0.12 3.84 0.52 2.71 2.99 -1.26 -1.01 117.98 125.65 2df5 s PHE 112 Ca 0.02 1.44 -0.23 0.00 0.00 0.00 0.00 56.93 58.16 2df5 s PHE 112 Cb -0.07 -2.64 -0.06 0.00 0.00 0.00 0.00 43.02 40.26 2df5 s PHE 112 CO 0.00 0.53 1.39 0.45 -0.00 0.00 0.00 175.22 177.59 2df5 s SER 113 N -1.04 5.41 -0.13 1.36 0.15 -0.15 -4.92 113.70 114.38 2df5 s SER 113 Ca 0.32 2.84 0.16 0.00 0.70 0.00 0.00 55.95 59.97 2df5 s SER 113 Cb -0.21 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.09 2df5 s SER 113 CO 0.22 -1.48 1.55 0.35 1.20 0.00 0.00 173.24 175.08 2df5 n THR 114 N -0.80 1.97 -2.96 6.45 -2.24 0.18 -4.94 114.28 111.95 2df5 n THR 114 Ca 0.09 -1.37 -0.28 0.00 -2.27 0.00 0.00 64.05 60.22 2df5 n THR 114 Cb 0.44 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2df5 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2df5 s LEU 115 N -2.10 3.84 -1.45 3.22 1.43 -1.21 -4.39 118.68 118.03 2df5 s LEU 115 Ca 0.46 0.88 -0.13 0.00 -1.03 0.00 0.00 54.13 54.30 2df5 s LEU 115 Cb 0.32 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.82 2df5 s LEU 115 CO 0.18 -0.40 2.22 -2.65 0.23 0.00 0.00 176.35 175.93 2df5 n PRO 116 N -1.60 2.95 -0.30 1.29 -0.02 -1.26 -4.77 135.00 131.29 2df5 n PRO 116 Ca -0.00 -2.68 0.09 0.00 -2.02 0.00 0.00 63.50 58.89 2df5 n PRO 116 Cb 0.55 -3.24 0.25 0.00 -0.02 0.00 0.00 33.50 31.04 2df5 n PRO 116 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2df5 h ILE 117 N 3.94 0.65 -0.29 4.25 3.07 -1.93 0.13 117.51 127.33 2df5 h ILE 117 Ca 0.56 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 66.76 2df5 h ILE 117 Cb 0.63 0.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.21 2df5 h ILE 117 CO 1.86 0.10 0.09 0.11 -1.05 0.00 0.00 178.15 179.27 2df5 h LYS 118 N 0.56 0.46 -0.30 0.16 1.79 -1.99 -0.08 116.57 117.16 2df5 h LYS 118 Ca 0.49 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.77 2df5 h LYS 118 Cb 0.78 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2df5 h LYS 118 CO -0.41 0.51 -0.21 0.87 -1.08 0.00 0.00 179.45 179.12 2df5 h LYS 119 N 0.32 0.57 -0.15 3.15 1.57 -1.74 -0.87 116.57 119.42 2df5 h LYS 119 Ca 0.09 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2df5 h LYS 119 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2df5 h LYS 119 CO -0.00 0.75 0.00 0.82 -0.57 0.00 0.00 179.45 180.45 2df5 h ILE 120 N 0.51 1.25 -0.76 1.86 2.04 -0.59 -1.38 117.51 120.44 2df5 h ILE 120 Ca 0.08 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2df5 h ILE 120 Cb 0.65 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 2df5 h ILE 120 CO 0.05 0.25 0.50 -0.03 0.00 0.00 0.00 178.15 178.91 2df5 h MET 121 N 0.02 0.94 -0.56 2.37 4.05 -0.80 -1.41 114.93 119.54 2df5 h MET 121 Ca 0.04 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 2df5 h MET 121 Cb 0.37 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2df5 h MET 121 CO 0.01 0.62 0.03 -0.22 0.23 0.00 0.00 176.91 177.58 2df5 h LYS 122 N 0.96 0.97 -0.47 0.39 3.64 -0.85 -1.88 116.57 119.33 2df5 h LYS 122 Ca 0.29 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2df5 h LYS 122 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2df5 h LYS 122 CO -0.08 0.96 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.62 2df5 h LYS 123 N 0.85 0.97 -0.35 1.90 1.63 -0.80 -2.33 116.57 118.45 2df5 h LYS 123 Ca 0.16 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2df5 h LYS 123 Cb 0.50 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2df5 h LYS 123 CO 0.02 1.08 0.21 -0.07 -3.45 0.00 0.00 179.45 177.24 2df5 h LEU 124 N 0.83 0.42 -0.72 5.20 3.38 -1.14 -1.97 115.31 121.32 2df5 h LEU 124 Ca 0.11 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2df5 h LEU 124 Cb 0.79 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2df5 h LEU 124 CO 0.07 0.36 0.43 0.45 0.09 0.00 0.00 178.44 179.83 2df5 h HIS 125 N 0.45 0.79 0.00 1.13 3.86 -1.19 0.34 115.15 120.53 2df5 h HIS 125 Ca 0.12 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2df5 h HIS 125 Cb 0.02 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 2df5 h HIS 125 CO -0.04 0.41 -0.12 0.93 0.86 0.00 0.00 177.93 179.97 2df5 h GLU 126 N 0.80 0.00 -0.04 2.45 5.08 -1.03 0.14 114.58 121.98 2df5 h GLU 126 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2df5 h GLU 126 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2df5 h GLU 126 CO -0.15 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 2df5 n ARG 127 N -4.22 1.23 -1.60 2.33 5.12 -0.13 -4.88 116.66 114.53 2df5 n ARG 127 Ca -0.03 -0.35 -0.08 0.00 -1.93 0.00 0.00 57.85 55.47 2df5 n ARG 127 Cb 0.20 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 2df5 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2df5 n GLY 128 N 0.95 0.61 3.40 -0.13 0.00 0.47 -5.00 105.19 105.50 2df5 n GLY 128 Ca 0.17 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2df5 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2df5 s ILE 129 N -2.34 4.51 0.28 -0.61 1.01 -0.08 -4.99 121.20 118.98 2df5 s ILE 129 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2df5 s ILE 129 Cb 0.00 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 2df5 s ILE 129 CO 0.00 -0.05 1.54 -0.81 0.00 0.00 0.00 174.94 175.62 2df5 n PRO 130 N 4.97 2.50 -3.57 2.79 -0.04 -1.26 -3.66 135.00 136.73 2df5 n PRO 130 Ca -0.13 0.89 -0.16 0.00 -0.04 0.00 0.00 63.50 64.06 2df5 n PRO 130 Cb 0.48 -2.63 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 2df5 n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2df5 s ALA 131 N -0.02 -1.79 0.18 0.55 0.00 -1.26 -2.32 121.76 117.11 2df5 s ALA 131 Ca 0.65 1.65 -0.07 0.00 0.00 0.00 0.00 51.96 54.19 2df5 s ALA 131 Cb -0.54 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2df5 s ALA 131 CO 0.49 -0.35 0.26 1.52 0.00 0.00 0.00 175.76 177.68 2df5 s TYR 132 N -0.48 0.61 -0.15 0.00 -0.85 -0.44 -4.96 117.35 111.07 2df5 s TYR 132 Ca -0.05 -0.94 -0.17 0.00 -0.52 0.00 0.00 57.07 55.38 2df5 s TYR 132 Cb -0.02 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 2df5 s TYR 132 CO 0.05 -0.73 0.43 0.42 -1.52 0.00 0.00 175.55 174.20 2df5 s ILE 133 N -4.03 5.20 -0.11 -3.49 1.01 -1.26 -1.08 121.20 117.45 2df5 s ILE 133 Ca 0.24 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.64 2df5 s ILE 133 Cb 0.04 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2df5 s ILE 133 CO 0.05 0.30 0.16 -0.55 0.00 0.00 0.00 174.94 174.90 2df5 s SER 134 N 0.75 6.42 0.00 3.58 0.15 0.23 -4.89 113.70 119.95 2df5 s SER 134 Ca 0.22 0.50 0.23 0.00 0.70 0.00 0.00 55.95 57.61 2df5 s SER 134 Cb -0.15 -2.08 0.35 0.00 -1.71 0.00 0.00 66.02 62.43 2df5 s SER 134 CO 0.08 0.40 1.34 0.59 1.20 0.00 0.00 173.24 176.85 2df5 n ASN 135 N 1.92 3.30 -3.67 5.45 5.03 -1.26 -1.04 115.26 124.99 2df5 n ASN 135 Ca -0.19 -1.98 -0.09 0.00 0.87 0.00 0.00 54.58 53.19 2df5 n ASN 135 Cb 0.55 -0.17 -0.10 0.00 -1.02 0.00 0.00 39.78 39.04 2df5 n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2df5 s SER 136 N -1.60 -0.33 -0.13 6.41 0.15 -1.26 -4.55 113.70 112.38 2df5 s SER 136 Ca 0.35 0.98 0.12 0.00 0.70 0.00 0.00 55.95 58.10 2df5 s SER 136 Cb 0.21 1.22 0.58 0.00 -1.71 0.00 0.00 66.02 66.33 2df5 s SER 136 CO 0.30 -0.22 1.43 0.00 1.20 0.00 0.00 173.24 175.95 2df5 n ALA 137 N 5.11 3.27 0.00 5.45 0.00 -1.26 -5.04 120.51 128.04 2df5 n ALA 137 Ca -0.12 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2df5 n ALA 137 Cb 0.51 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2df5 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2df5 n GLY 138 N 0.69 -2.16 1.56 0.00 0.00 -1.26 -3.64 105.19 100.39 2df5 n GLY 138 Ca 0.20 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.74 2df5 n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2df5 n LEU 139 N 0.00 2.00 0.00 0.99 4.77 -1.26 -4.54 117.00 118.95 2df5 n LEU 139 Ca 0.00 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 2df5 n LEU 139 Cb 0.00 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2df5 n LEU 139 CO 0.00 1.02 0.00 0.00 -1.33 0.00 0.00 177.39 177.08 2df5 n TYR 140 N -0.27 0.00 0.17 -1.77 9.36 -1.26 -1.70 117.16 121.69 2df5 n TYR 140 Ca 0.14 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.38 2df5 n TYR 140 Cb 0.94 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.93 2df5 n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2df5 h LEU 141 N 0.00 0.00 0.04 2.98 3.38 -1.96 -2.53 115.31 117.22 2df5 h LEU 141 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2df5 h LEU 141 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2df5 h LEU 141 CO 0.00 0.48 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 2df5 h ASN 143 N -0.39 0.26 0.87 0.00 -1.24 -1.62 -1.14 115.58 112.32 2df5 h ASN 143 Ca -0.01 -0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.92 2df5 h ASN 143 Cb 0.36 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2df5 h ASN 143 CO 0.01 0.35 -0.45 0.22 -1.29 0.00 0.00 177.43 176.26 2df5 h TYR 144 N 0.28 -1.19 -0.81 0.67 3.20 -1.21 0.54 116.97 118.46 2df5 h TYR 144 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2df5 h TYR 144 Cb 0.25 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 2df5 h TYR 144 CO 0.00 -0.71 0.45 0.28 -1.64 0.00 0.00 178.16 176.55 2df5 h VAL 145 N -1.21 1.24 -0.86 1.81 2.07 -0.99 -1.27 116.25 117.04 2df5 h VAL 145 Ca -0.12 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 2df5 h VAL 145 Cb 0.95 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2df5 h VAL 145 CO 0.17 0.26 0.44 -0.03 0.02 0.00 0.00 177.57 178.42 2df5 h MET 146 N 1.12 1.22 -0.13 1.57 1.85 -1.10 -0.18 114.93 119.28 2df5 h MET 146 Ca 0.29 -0.16 -0.04 0.00 -0.61 0.00 0.00 59.70 59.18 2df5 h MET 146 Cb 0.01 -0.23 -0.00 0.00 0.43 0.00 0.00 31.60 31.81 2df5 h MET 146 CO -0.05 0.92 -0.06 -0.92 -0.40 0.00 0.00 176.91 176.40 2df5 h TYR 147 N 1.22 0.30 -0.80 1.39 3.20 -0.53 -2.10 116.97 119.65 2df5 h TYR 147 Ca 0.30 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 62.13 2df5 h TYR 147 Cb 0.08 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 2df5 h TYR 147 CO 0.01 0.60 0.51 -0.07 -1.64 0.00 0.00 178.16 177.57 2df5 h LEU 148 N -0.08 0.84 -0.08 2.82 3.38 -1.04 0.12 115.31 121.27 2df5 h LEU 148 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2df5 h LEU 148 Cb 0.52 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2df5 h LEU 148 CO 0.02 0.58 0.05 -1.28 0.09 0.00 0.00 178.44 177.89 2df5 h SER 149 N 0.99 0.10 0.30 -0.43 0.87 -0.98 0.02 113.55 114.42 2df5 h SER 149 Ca 0.32 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2df5 h SER 149 Cb 0.03 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2df5 h SER 149 CO -0.12 0.14 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.99 2df5 h LEU 150 N 0.05 0.00 -0.20 2.23 3.38 -0.99 -1.74 115.31 118.05 2df5 h LEU 150 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2df5 h LEU 150 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2df5 h LEU 150 CO -0.00 0.26 -0.55 -0.74 0.09 0.00 0.00 178.44 177.50 2df5 h HIS 151 N 0.00 0.93 -0.73 1.13 2.76 -0.32 -2.43 115.15 116.49 2df5 h HIS 151 Ca -0.00 -0.37 0.03 0.00 -2.20 0.00 0.00 60.37 57.83 2df5 h HIS 151 Cb 0.48 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 2df5 h HIS 151 CO 0.00 1.17 0.46 1.25 -1.30 0.00 0.00 177.93 179.50 2df5 h HIS 152 N 0.43 0.85 -0.48 5.26 -0.00 -0.52 -0.38 115.15 120.31 2df5 h HIS 152 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2df5 h HIS 152 Cb 1.17 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.27 2df5 h HIS 152 CO 0.09 0.48 0.30 1.03 -0.00 0.00 0.00 177.93 179.84 2df5 h SER 153 N 0.89 0.56 0.98 3.26 0.87 -1.23 0.45 113.55 119.33 2df5 h SER 153 Ca 0.29 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2df5 h SER 153 Cb 0.03 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2df5 h SER 153 CO -0.11 0.42 -0.27 0.00 -0.53 0.00 0.00 176.83 176.33 2df5 h ALA 154 N 1.16 0.98 0.03 6.23 0.00 -0.92 -1.12 119.26 125.61 2df5 h ALA 154 Ca 0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 54.48 2df5 h ALA 154 Cb -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2df5 h ALA 154 CO -0.04 0.34 -2.18 2.41 0.00 0.00 0.00 179.25 179.79 2df5 n THR 155 N -3.40 1.56 0.60 0.00 -1.04 -0.20 -4.53 114.28 107.27 2df5 n THR 155 Ca 0.00 -0.72 0.07 0.00 -2.04 0.00 0.00 64.05 61.36 2df5 n THR 155 Cb 0.48 -1.14 0.02 0.00 -1.82 0.00 0.00 70.33 67.87 2df5 n THR 155 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2df5 n LYS 156 N -3.12 1.54 -0.97 -2.82 4.76 0.15 -4.98 118.16 112.72 2df5 n LYS 156 Ca -0.33 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 2df5 n LYS 156 Cb 1.06 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 2df5 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2df5 n GLY 157 N 0.96 0.77 3.50 0.72 0.00 -0.43 -4.98 105.19 105.73 2df5 n GLY 157 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2df5 n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2df5 s TYR 158 N -3.15 -0.62 0.41 1.61 -0.85 -1.22 -4.30 117.35 109.23 2df5 s TYR 158 Ca 0.00 1.10 -0.25 0.00 -0.52 0.00 0.00 57.07 57.40 2df5 s TYR 158 Cb 0.00 0.36 -0.08 0.00 0.38 0.00 0.00 41.96 42.62 2df5 s TYR 158 CO 0.00 -0.56 1.22 -1.25 -1.52 0.00 0.00 175.55 173.43 2df5 s PRO 159 N -1.05 3.97 0.28 -3.49 0.04 -1.26 -3.43 135.00 130.06 2df5 s PRO 159 Ca -0.10 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2df5 s PRO 159 Cb -0.01 -2.66 0.39 0.00 0.04 0.00 0.00 34.50 32.26 2df5 s PRO 159 CO 0.08 -0.42 1.84 0.87 0.04 0.00 0.00 177.00 179.42 2df5 h LYS 160 N 2.56 0.88 -5.32 4.56 1.57 -1.57 -3.41 116.57 115.84 2df5 h LYS 160 Ca -0.49 -0.16 -0.66 0.00 -1.87 0.00 0.00 60.65 57.47 2df5 h LYS 160 Cb 1.24 -0.14 -0.27 0.00 0.08 0.00 0.00 32.23 33.14 2df5 h LYS 160 CO 0.62 0.75 -0.76 -1.64 -0.57 0.00 0.00 179.45 177.85 2df5 s MET 161 N -5.32 3.39 -0.09 3.15 -1.94 -0.79 -4.87 119.30 112.82 2df5 s MET 161 Ca -0.10 -0.68 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 2df5 s MET 161 Cb 0.16 -2.63 0.04 0.00 2.01 0.00 0.00 34.83 34.40 2df5 s MET 161 CO 0.80 0.21 0.39 0.45 -0.01 0.00 0.00 175.02 176.86 2df5 s SER 162 N 0.36 -0.35 0.09 3.03 0.15 -1.26 -0.44 113.70 115.27 2df5 s SER 162 Ca -0.11 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 56.89 2df5 s SER 162 Cb -0.16 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2df5 s SER 162 CO 0.06 -0.30 0.81 0.61 1.20 0.00 0.00 173.24 175.62 2df5 n GLY 163 N 2.09 0.64 3.01 9.45 0.00 -0.93 -0.64 105.19 118.81 2df5 n GLY 163 Ca -0.17 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 2df5 n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2df5 s PHE 164 N -2.88 0.61 -0.06 1.61 2.19 -1.26 -2.17 117.98 116.02 2df5 s PHE 164 Ca 0.18 -0.27 0.02 0.00 0.33 0.00 0.00 56.93 57.20 2df5 s PHE 164 Cb -0.02 -0.38 0.01 0.00 -1.31 0.00 0.00 43.02 41.33 2df5 s PHE 164 CO 0.03 -0.03 -0.11 0.42 1.83 0.00 0.00 175.22 177.35 2df5 s ILE 165 N -0.66 1.00 -0.11 3.12 1.01 0.11 -1.15 121.20 124.52 2df5 s ILE 165 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 2df5 s ILE 165 Cb -0.06 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2df5 s ILE 165 CO 0.00 0.32 0.02 -1.00 0.00 0.00 0.00 174.94 174.28 2df5 s HIS 166 N 0.67 3.20 0.15 3.97 3.76 -0.30 -1.21 115.29 125.53 2df5 s HIS 166 Ca -0.13 0.17 0.11 0.00 -0.15 0.00 0.00 55.06 55.06 2df5 s HIS 166 Cb -0.15 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2df5 s HIS 166 CO 0.03 0.42 -0.22 0.14 -0.85 0.00 0.00 174.74 174.26 2df5 s VAL 167 N -0.66 2.50 1.08 -0.90 -7.23 -0.45 -1.97 120.40 112.78 2df5 s VAL 167 Ca 0.11 -1.79 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 2df5 s VAL 167 Cb -0.12 -2.16 0.23 0.00 0.56 0.00 0.00 36.38 34.89 2df5 s VAL 167 CO 0.02 -0.00 1.16 -2.84 -0.31 0.00 0.00 175.10 173.13 2df5 s PRO 168 N -2.37 -0.26 0.74 4.82 0.02 -1.26 -1.45 135.00 135.23 2df5 s PRO 168 Ca 0.18 -0.02 -0.14 0.00 0.02 0.00 0.00 61.00 61.04 2df5 s PRO 168 Cb -0.09 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 32.77 2df5 s PRO 168 CO 0.09 -3.08 1.17 0.71 -0.33 0.00 0.00 177.00 175.56 2df5 s TYR 169 N -3.24 2.17 0.21 6.54 2.02 -1.26 -4.72 117.35 119.07 2df5 s TYR 169 Ca 0.70 1.61 -0.01 0.00 -0.37 0.00 0.00 57.07 58.99 2df5 s TYR 169 Cb -0.10 -3.36 -0.04 0.00 -0.40 0.00 0.00 41.96 38.05 2df5 s TYR 169 CO 0.55 -2.37 0.41 0.96 -1.57 0.00 0.00 175.55 173.53 2df5 s ILE 170 N -2.19 5.19 0.21 2.71 -4.36 -1.26 -1.21 121.20 120.29 2df5 s ILE 170 Ca 0.71 -0.32 -0.22 0.00 -0.26 0.00 0.00 60.65 60.56 2df5 s ILE 170 Cb -0.26 -3.73 0.14 0.00 1.25 0.00 0.00 42.46 39.86 2df5 s ILE 170 CO 0.46 -0.19 1.55 -0.65 0.24 0.00 0.00 174.94 176.36 2df5 h PRO 171 N 1.98 -0.02 0.00 0.37 0.11 -1.91 -1.12 132.00 131.40 2df5 h PRO 171 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2df5 h PRO 171 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2df5 h PRO 171 CO 0.68 -0.01 0.34 1.05 -0.21 0.00 0.00 178.00 179.84 2df5 h GLU 172 N -0.02 0.00 0.00 1.05 4.11 -1.96 0.69 114.58 118.45 2df5 h GLU 172 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2df5 h GLU 172 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2df5 h GLU 172 CO -0.95 0.00 -0.17 1.04 0.07 0.00 0.00 179.01 179.01 2df5 n GLN 173 N -2.73 0.00 0.08 1.06 6.02 -0.42 -3.65 117.38 117.74 2df5 n GLN 173 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.08 2df5 n GLN 173 Cb 0.38 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2df5 n GLN 173 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2df5 n ILE 174 N -1.51 0.55 -0.28 5.09 5.41 0.24 -4.30 119.36 124.56 2df5 n ILE 174 Ca 0.06 -0.55 0.10 0.00 1.00 0.00 0.00 62.75 63.37 2df5 n ILE 174 Cb 0.34 -0.30 0.25 0.00 -0.71 0.00 0.00 39.64 39.21 2df5 n ILE 174 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2df5 h ILE 175 N 0.00 0.37 -0.17 1.39 1.08 -1.65 0.49 117.51 119.02 2df5 h ILE 175 Ca -0.01 -0.08 -0.17 0.00 -0.39 0.00 0.00 64.86 64.21 2df5 h ILE 175 Cb 1.03 0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 2df5 h ILE 175 CO 0.00 0.04 -0.61 0.44 -0.69 0.00 0.00 178.15 177.33 2df5 h ASP 176 N 0.22 0.65 -0.49 1.72 5.19 -1.83 -3.14 116.42 118.74 2df5 h ASP 176 Ca 0.50 -0.37 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2df5 h ASP 176 Cb 0.96 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 2df5 h ASP 176 CO -0.62 1.11 0.33 0.11 -3.12 0.00 0.00 179.24 177.05 2df5 h LYS 177 N 0.43 0.57 -0.09 3.56 1.79 -1.13 -2.94 116.57 118.76 2df5 h LYS 177 Ca -0.01 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2df5 h LYS 177 Cb 1.18 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.65 2df5 h LYS 177 CO 0.12 0.38 -0.23 0.82 -1.08 0.00 0.00 179.45 179.45 2df5 h ILE 178 N 0.59 0.44 0.00 1.86 2.04 -1.34 -2.04 117.51 119.06 2df5 h ILE 178 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2df5 h ILE 178 Cb 0.05 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2df5 h ILE 178 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.71 2df5 n GLY 179 N -1.36 2.12 0.19 5.37 0.00 -1.11 -3.03 105.19 107.37 2df5 n GLY 179 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2df5 n GLY 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2df5 n LYS 180 N 0.82 0.00 0.00 1.61 4.76 -0.77 -5.12 118.16 119.46 2df5 n LYS 180 Ca 0.00 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 2df5 n LYS 180 Cb 0.49 -0.35 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 2df5 n LYS 180 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2df5 n GLY 181 N 0.00 0.41 2.12 0.72 0.00 -1.17 -5.07 105.19 102.19 2df5 n GLY 181 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 2df5 n GLY 181 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2df5 n GLN 182 N 0.00 -1.88 -3.77 1.61 1.13 -1.26 -4.76 117.38 108.45 2df5 n GLN 182 Ca 0.00 -1.08 -0.28 0.00 -1.94 0.00 0.00 57.00 53.71 2df5 n GLN 182 Cb 0.00 -0.92 -0.16 0.00 0.11 0.00 0.00 30.24 29.26 2df5 n GLN 182 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2df5 s VAL 183 N -2.31 0.66 0.70 5.09 0.11 -1.26 -4.25 120.40 119.14 2df5 s VAL 183 Ca 0.42 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2df5 s VAL 183 Cb -0.03 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2df5 s VAL 183 CO 0.32 -0.14 1.06 -2.16 -3.33 0.00 0.00 175.10 170.85 2df5 s PRO 184 N 1.80 2.92 0.89 1.54 0.04 -1.26 -5.05 135.00 135.89 2df5 s PRO 184 Ca -0.01 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 61.82 2df5 s PRO 184 Cb -0.17 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.51 2df5 s PRO 184 CO -0.08 -1.09 1.10 -2.14 0.04 0.00 0.00 177.00 174.83 2df5 s PRO 185 N -5.07 1.27 0.24 0.56 0.02 -1.26 -5.01 135.00 125.75 2df5 s PRO 185 Ca 0.58 1.14 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 2df5 s PRO 185 Cb -0.14 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.60 2df5 s PRO 185 CO 0.55 -2.32 0.53 -1.54 -0.33 0.00 0.00 177.00 173.89 2df5 s SER 186 N -3.10 -0.16 -0.12 2.53 1.04 -1.26 -4.19 113.70 108.44 2df5 s SER 186 Ca 0.64 -0.77 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2df5 s SER 186 Cb -0.20 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2df5 s SER 186 CO 0.58 -1.16 0.29 -0.32 0.98 0.00 0.00 173.24 173.60 2df5 s MET 187 N -3.97 0.25 0.30 4.02 1.75 -0.35 -4.90 119.30 116.40 2df5 s MET 187 Ca 0.17 0.60 -0.29 0.00 -1.25 0.00 0.00 55.69 54.92 2df5 s MET 187 Cb -0.02 -0.10 -0.13 0.00 2.84 0.00 0.00 34.83 37.42 2df5 s MET 187 CO 0.06 -0.16 1.23 0.00 -0.65 0.00 0.00 175.02 175.49 2df5 h TYR 189 N 2.72 0.86 -0.98 0.00 3.20 -1.96 -0.77 116.97 120.04 2df5 h TYR 189 Ca -0.44 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.53 2df5 h TYR 189 Cb 1.30 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 2df5 h TYR 189 CO 0.51 0.09 0.64 0.93 -1.64 0.00 0.00 178.16 178.68 2df5 h GLU 190 N 0.57 1.13 -0.24 1.82 3.07 -2.00 -0.77 114.58 118.16 2df5 h GLU 190 Ca 0.57 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.23 2df5 h GLU 190 Cb 0.98 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 2df5 h GLU 190 CO -0.45 0.74 -0.39 1.98 -1.40 0.00 0.00 179.01 179.50 2df5 h MET 191 N 1.16 0.54 -0.48 2.33 4.05 -1.49 -2.11 114.93 118.92 2df5 h MET 191 Ca 0.42 -0.27 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 2df5 h MET 191 Cb 0.15 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2df5 h MET 191 CO -0.16 0.84 -0.18 0.93 0.23 0.00 0.00 176.91 178.57 2df5 h GLU 192 N 0.45 0.96 -0.44 0.39 5.08 -0.96 -0.42 114.58 119.63 2df5 h GLU 192 Ca 0.04 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.88 2df5 h GLU 192 Cb 0.88 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2df5 h GLU 192 CO 0.07 1.05 -0.27 1.25 -1.00 0.00 0.00 179.01 180.12 2df5 h LEU 193 N 0.84 0.99 -0.54 1.33 5.85 -1.12 -2.40 115.31 120.26 2df5 h LEU 193 Ca 0.12 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 2df5 h LEU 193 Cb 0.74 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2df5 h LEU 193 CO 0.06 1.19 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.22 2df5 h GLU 194 N 0.81 0.98 -0.23 1.25 4.81 -1.23 -1.36 114.58 119.61 2df5 h GLU 194 Ca 0.09 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2df5 h GLU 194 Cb 0.85 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2df5 h GLU 194 CO 0.07 1.01 0.08 0.00 -0.73 0.00 0.00 179.01 179.45 2df5 h ALA 195 N 0.94 0.26 -0.69 2.92 0.00 -0.93 0.15 119.26 121.91 2df5 h ALA 195 Ca 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2df5 h ALA 195 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2df5 h ALA 195 CO 0.04 -0.33 0.18 0.28 0.00 0.00 0.00 179.25 179.41 2df5 h VAL 196 N 0.19 1.26 -0.43 0.00 2.07 -1.34 -1.54 116.25 116.46 2df5 h VAL 196 Ca 0.10 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2df5 h VAL 196 Cb 0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2df5 h VAL 196 CO -0.10 0.36 -0.00 0.50 0.02 0.00 0.00 177.57 178.35 2df5 h LYS 197 N 1.03 0.69 -0.23 1.57 3.64 -0.82 -2.29 116.57 120.16 2df5 h LYS 197 Ca 0.22 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2df5 h LYS 197 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2df5 h LYS 197 CO 0.00 0.71 -0.24 0.28 -2.27 0.00 0.00 179.45 177.93 2df5 h VAL 198 N 0.65 1.26 -0.53 2.00 2.07 -0.26 -2.16 116.25 119.29 2df5 h VAL 198 Ca 0.13 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 2df5 h VAL 198 Cb 0.41 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2df5 h VAL 198 CO 0.02 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 177.97 2df5 h ALA 199 N 1.37 0.97 -0.39 1.67 0.00 -0.76 -1.38 119.26 120.73 2df5 h ALA 199 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2df5 h ALA 199 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2df5 h ALA 199 CO 0.05 0.62 0.15 0.82 0.00 0.00 0.00 179.25 180.89 2df5 h ILE 200 N 0.84 1.20 0.10 0.00 2.04 -1.04 -1.32 117.51 119.34 2df5 h ILE 200 Ca 0.15 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2df5 h ILE 200 Cb 0.52 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2df5 h ILE 200 CO 0.03 0.22 -0.05 -0.33 0.00 0.00 0.00 178.15 178.01 2df5 h GLU 201 N 0.48 -0.14 -0.94 2.37 5.08 -1.12 -0.88 114.58 119.43 2df5 h GLU 201 Ca 0.13 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2df5 h GLU 201 Cb 0.19 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2df5 h GLU 201 CO -0.01 -0.05 0.58 0.28 -1.00 0.00 0.00 179.01 178.81 2df5 h VAL 202 N -0.18 1.25 -0.10 3.13 2.07 -1.21 -0.10 116.25 121.11 2df5 h VAL 202 Ca -0.01 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2df5 h VAL 202 Cb 0.15 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2df5 h VAL 202 CO 0.02 0.26 0.05 0.00 0.02 0.00 0.00 177.57 177.93 2df5 h ALA 203 N 1.32 0.13 -0.92 1.67 0.00 -1.02 0.28 119.26 120.72 2df5 h ALA 203 Ca 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2df5 h ALA 203 Cb -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2df5 h ALA 203 CO -0.07 -0.33 0.61 -0.07 0.00 0.00 0.00 179.25 179.40 2df5 h LEU 204 N 0.06 1.05 -0.26 0.00 3.38 -0.72 0.14 115.31 118.96 2df5 h LEU 204 Ca 0.04 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2df5 h LEU 204 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2df5 h LEU 204 CO -0.01 0.76 -0.12 0.74 0.09 0.00 0.00 178.44 179.91 2df5 h THR 205 N 1.24 1.30 -0.01 0.22 2.02 -0.78 -2.55 112.91 114.35 2df5 h THR 205 Ca 0.34 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2df5 h THR 205 Cb -0.14 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2df5 h THR 205 CO -0.07 0.38 -0.18 1.56 0.37 0.00 0.00 175.52 177.57 2df5 h GLN 206 N 0.28 0.02 -0.28 6.66 1.08 -0.41 -2.48 115.11 119.98 2df5 h GLN 206 Ca 0.06 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2df5 h GLN 206 Cb 0.63 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2df5 h GLN 206 CO 0.04 0.20 -0.13 0.22 -0.95 0.00 0.00 178.83 178.21 2df5 h ASP 207 N 0.02 0.60 -0.45 1.46 3.58 -0.79 -1.98 116.42 118.86 2df5 h ASP 207 Ca 0.00 -0.40 0.02 0.00 0.42 0.00 0.00 57.03 57.07 2df5 h ASP 207 Cb 0.33 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2df5 h ASP 207 CO 0.02 0.87 0.30 -0.03 -2.88 0.00 0.00 179.24 177.52 2df5 h MET 208 N 0.33 0.53 -0.09 0.28 4.05 -1.04 -0.78 114.93 118.21 2df5 h MET 208 Ca 0.06 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.30 2df5 h MET 208 Cb 0.64 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 2df5 h MET 208 CO 0.04 0.35 -0.61 0.82 0.23 0.00 0.00 176.91 177.74 2df5 h ILE 209 N 0.55 1.37 -0.11 1.77 2.04 -1.22 -3.23 117.51 118.67 2df5 h ILE 209 Ca 0.17 -1.96 -0.09 0.00 1.00 0.00 0.00 64.86 63.98 2df5 h ILE 209 Cb 0.02 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2df5 h ILE 209 CO -0.04 0.59 -0.29 0.78 0.00 0.00 0.00 178.15 179.19 2df5 h ASN 210 N 0.24 0.45 -0.10 1.72 2.35 -0.50 -1.79 115.58 117.94 2df5 h ASN 210 Ca -0.01 -0.59 -0.07 0.00 -0.55 0.00 0.00 56.30 55.08 2df5 h ASN 210 Cb 1.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.34 2df5 h ASN 210 CO 0.10 0.96 0.07 0.29 -1.65 0.00 0.00 177.43 177.19 2df5 n LYS 211 N -4.43 1.20 0.00 0.81 5.02 -0.40 -4.16 118.16 116.21 2df5 n LYS 211 Ca -0.07 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 2df5 n LYS 211 Cb 0.47 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2df5 n LYS 211 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2df5 n SER 212 N 1.32 0.00 0.00 4.39 7.64 -1.22 -4.99 113.62 120.75 2df5 n SER 212 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2df5 n SER 212 Cb 0.53 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 2df5 n SER 212 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44