#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 2.65 -0.11 0.03 1.02 -1.26 -0.69 119.74 121.38 2df5 s LYS 2 Ca 0.00 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2df5 s LYS 2 Cb 0.00 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 2df5 s LYS 2 CO 0.00 0.29 -0.20 0.08 -0.92 0.00 0.00 175.35 174.60 2df5 s VAL 3 N 0.05 1.84 -0.17 3.17 1.01 0.65 -0.36 120.40 126.59 2df5 s VAL 3 Ca -0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2df5 s VAL 3 Cb -0.15 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2df5 s VAL 3 CO 0.05 0.51 -0.01 -0.22 0.00 0.00 0.00 175.10 175.43 2df5 s LEU 4 N 0.70 3.34 -0.11 3.92 1.98 0.59 0.14 118.68 129.23 2df5 s LEU 4 Ca -0.11 -0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.03 2df5 s LEU 4 Cb -0.16 -1.82 0.01 0.00 0.66 0.00 0.00 46.19 44.87 2df5 s LEU 4 CO 0.02 0.14 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.74 2df5 s VAL 5 N 0.57 1.73 0.20 1.68 1.01 0.13 -0.66 120.40 125.06 2df5 s VAL 5 Ca -0.01 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.27 2df5 s VAL 5 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2df5 s VAL 5 CO 0.02 0.49 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 2df5 s THR 6 N 0.76 2.81 0.35 3.92 -4.23 -0.89 -0.85 115.64 117.51 2df5 s THR 6 Ca -0.10 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 2df5 s THR 6 Cb -0.16 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2df5 s THR 6 CO 0.01 -0.15 0.22 -0.83 -0.54 0.00 0.00 174.62 173.34 2df5 s GLY 7 N -2.86 2.38 0.19 3.99 0.00 -0.57 -0.76 107.32 109.68 2df5 s GLY 7 Ca 0.24 -1.78 0.09 0.00 0.00 0.00 0.00 44.72 43.27 2df5 s GLY 7 CO 0.13 -1.58 -0.18 -1.36 0.00 0.00 0.00 173.10 170.10 2df5 s PHE 8 N -3.41 1.92 0.98 1.90 0.40 -1.26 0.53 117.98 119.04 2df5 s PHE 8 Ca 0.35 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 56.07 2df5 s PHE 8 Cb 0.03 -0.92 0.19 0.00 0.51 0.00 0.00 43.02 42.82 2df5 s PHE 8 CO 0.23 0.41 1.21 -1.83 0.70 0.00 0.00 175.22 175.94 2df5 s GLU 9 N -3.04 0.52 0.63 0.44 -1.05 -0.71 -3.58 118.70 111.91 2df5 s GLU 9 Ca 0.19 -0.10 -0.18 0.00 -0.15 0.00 0.00 54.97 54.74 2df5 s GLU 9 Cb -0.05 -1.80 -0.02 0.00 -0.44 0.00 0.00 34.13 31.82 2df5 s GLU 9 CO 0.08 -2.55 1.20 -2.14 0.95 0.00 0.00 175.26 172.80 2df5 s PRO 10 N -5.60 2.79 0.31 -4.83 0.02 -1.26 -4.76 135.00 121.67 2df5 s PRO 10 Ca 0.69 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 63.30 2df5 s PRO 10 Cb -0.09 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.55 2df5 s PRO 10 CO 0.53 -1.33 0.73 -0.59 -0.33 0.00 0.00 177.00 176.01 2df5 s PHE 11 N -1.73 -0.09 -1.77 6.54 -0.71 -1.26 -4.85 117.98 114.10 2df5 s PHE 11 Ca 0.76 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 2df5 s PHE 11 Cb -0.29 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2df5 s PHE 11 CO 0.36 -1.32 0.00 0.41 -1.34 0.00 0.00 175.22 173.33 2df5 n GLY 12 N -0.48 -0.39 2.44 1.99 0.00 -1.26 -2.05 105.19 105.45 2df5 n GLY 12 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.98 3.14 3.62 -0.02 0.00 -1.26 -5.02 105.19 104.67 2df5 n GLY 13 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2df5 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2df5 n GLU 14 N -1.78 0.42 0.03 1.61 -0.58 -0.87 -4.92 120.64 114.55 2df5 n GLU 14 Ca 0.00 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.89 2df5 n GLU 14 Cb 0.00 -2.26 -0.10 0.00 -0.57 0.00 0.00 31.44 28.51 2df5 n GLU 14 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2df5 h LYS 15 N -0.42 0.00 -4.31 3.49 1.63 -1.95 -3.39 116.57 111.61 2df5 h LYS 15 Ca -0.47 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.15 2df5 h LYS 15 Cb 1.32 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.82 2df5 h LYS 15 CO 0.46 0.60 -0.51 0.96 -3.45 0.00 0.00 179.45 177.51 2df5 s ILE 16 N -2.74 0.04 -0.17 2.00 -5.25 -1.26 -4.86 121.20 108.96 2df5 s ILE 16 Ca -0.02 -1.80 -0.01 0.00 -0.99 0.00 0.00 60.65 57.83 2df5 s ILE 16 Cb 0.09 -2.25 0.05 0.00 2.95 0.00 0.00 42.46 43.30 2df5 s ILE 16 CO 0.81 -0.16 -0.01 0.21 -1.79 0.00 0.00 174.94 174.00 2df5 s ASN 17 N -3.08 2.83 0.53 4.36 3.84 -1.26 -4.76 114.94 117.39 2df5 s ASN 17 Ca 0.30 -0.71 0.25 0.00 0.21 0.00 0.00 52.86 52.90 2df5 s ASN 17 Cb 0.05 -0.77 1.39 0.00 -0.55 0.00 0.00 41.25 41.38 2df5 s ASN 17 CO 0.07 -0.24 2.00 1.55 -2.79 0.00 0.00 177.10 177.70 2df5 h PRO 18 N 8.17 0.00 0.00 0.43 0.13 -1.94 0.22 132.00 139.01 2df5 h PRO 18 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2df5 h PRO 18 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2df5 h PRO 18 CO 0.36 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 179.92 2df5 h THR 19 N 0.00 0.00 0.02 1.56 1.35 -1.92 -1.98 112.91 111.94 2df5 h THR 19 Ca 0.24 -0.35 -0.24 0.00 -0.55 0.00 0.00 66.41 65.51 2df5 h THR 19 Cb 0.98 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.62 2df5 h THR 19 CO -0.00 0.00 -0.96 -0.08 -0.25 0.00 0.00 175.52 174.22 2df5 h GLU 20 N 0.00 0.62 -0.47 4.72 4.81 -1.00 -2.50 114.58 120.76 2df5 h GLU 20 Ca 0.00 -0.69 -0.14 0.00 -0.13 0.00 0.00 59.36 58.40 2df5 h GLU 20 Cb 0.42 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2df5 h GLU 20 CO 0.00 1.28 -0.24 0.00 -0.73 0.00 0.00 179.01 179.33 2df5 h ARG 21 N 0.25 1.00 -0.37 1.92 3.08 -1.52 -2.55 114.38 116.20 2df5 h ARG 21 Ca -0.13 -0.44 0.04 0.00 0.07 0.00 0.00 59.98 59.52 2df5 h ARG 21 Cb 1.64 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.62 2df5 h ARG 21 CO 0.19 1.12 0.15 0.82 -1.07 0.00 0.00 179.97 181.18 2df5 h ILE 22 N 0.86 0.92 -0.94 2.04 2.04 -1.39 0.87 117.51 121.91 2df5 h ILE 22 Ca 0.10 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2df5 h ILE 22 Cb 0.83 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2df5 h ILE 22 CO 0.07 0.06 0.60 0.00 0.00 0.00 0.00 178.15 178.88 2df5 h ALA 23 N 1.22 1.29 -0.29 1.87 0.00 -1.33 -2.08 119.26 119.95 2df5 h ALA 23 Ca 0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2df5 h ALA 23 Cb 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2df5 h ALA 23 CO -0.15 0.64 -0.51 0.87 0.00 0.00 0.00 179.25 180.09 2df5 h LYS 24 N 1.28 0.82 -0.03 0.00 1.57 -0.94 -2.28 116.57 116.99 2df5 h LYS 24 Ca 0.34 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 2df5 h LYS 24 Cb -0.11 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2df5 h LYS 24 CO -0.07 1.13 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.96 2df5 h ASP 25 N 0.64 0.11 0.91 0.86 3.45 -0.65 -3.19 116.42 118.54 2df5 h ASP 25 Ca 0.02 -0.06 -0.20 0.00 0.43 0.00 0.00 57.03 57.23 2df5 h ASP 25 Cb 1.11 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.81 2df5 h ASP 25 CO 0.11 0.64 -1.17 -0.07 -1.57 0.00 0.00 179.24 177.18 2df5 h LEU 26 N 0.07 0.00 -9.37 1.55 3.38 -1.40 -3.44 115.31 106.11 2df5 h LEU 26 Ca -0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.33 2df5 h LEU 26 Cb 0.99 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.79 2df5 h LEU 26 CO 0.08 0.78 0.73 -0.67 0.09 0.00 0.00 178.44 179.45 2df5 n ASP 27 N -3.13 2.58 0.00 -0.43 4.64 -0.86 -1.55 116.55 117.80 2df5 n ASP 27 Ca -0.06 1.08 0.00 0.00 -1.38 0.00 0.00 54.79 54.43 2df5 n ASP 27 Cb 0.90 -1.31 0.00 0.00 -1.04 0.00 0.00 41.12 39.66 2df5 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2df5 n GLY 28 N 3.30 2.97 3.53 0.27 0.00 -0.23 -4.88 105.19 110.14 2df5 n GLY 28 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2df5 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2df5 s ILE 29 N -1.07 4.15 0.62 -0.61 1.01 -0.60 -4.78 121.20 119.92 2df5 s ILE 29 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 2df5 s ILE 29 Cb 0.00 -4.69 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 2df5 s ILE 29 CO 0.00 -1.37 1.28 -0.54 0.00 0.00 0.00 174.94 174.31 2df5 s LYS 30 N 4.59 2.71 -0.46 2.79 1.02 -1.26 -4.48 119.74 124.64 2df5 s LYS 30 Ca 0.34 2.03 0.03 0.00 0.02 0.00 0.00 55.97 58.38 2df5 s LYS 30 Cb -0.11 -1.91 0.14 0.00 -0.52 0.00 0.00 37.83 35.43 2df5 s LYS 30 CO 0.19 -1.47 0.26 0.42 -0.92 0.00 0.00 175.35 173.83 2df5 s ILE 31 N -1.42 1.55 0.00 2.17 1.01 -1.04 -4.99 121.20 118.48 2df5 s ILE 31 Ca 0.80 -2.73 0.00 0.00 0.00 0.00 0.00 60.65 58.73 2df5 s ILE 31 Cb -0.36 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.03 2df5 s ILE 31 CO 0.39 -0.91 0.00 0.61 0.00 0.00 0.00 174.94 175.03 2df5 n GLY 32 N 3.38 1.23 0.00 6.18 0.00 -1.26 -3.63 105.19 111.09 2df5 n GLY 32 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 2.05 0.58 -4.89 1.61 8.00 -1.26 -5.06 116.55 117.58 2df5 n ASP 33 Ca 0.00 -1.11 -0.35 0.00 0.71 0.00 0.00 54.79 54.04 2df5 n ASP 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.11 3.92 0.15 2.24 0.00 -1.24 -4.43 121.76 122.28 2df5 s ALA 34 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 2df5 s ALA 34 Cb 0.00 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.11 2df5 s ALA 34 CO 0.00 0.69 0.68 -0.65 0.00 0.00 0.00 175.76 176.48 2df5 s GLN 35 N -1.54 4.32 -0.12 0.00 -0.21 0.13 -2.50 119.66 119.74 2df5 s GLN 35 Ca 0.22 0.90 0.02 0.00 0.02 0.00 0.00 55.36 56.52 2df5 s GLN 35 Cb -0.12 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.75 2df5 s GLN 35 CO 0.12 0.54 -0.18 0.08 -2.12 0.00 0.00 175.29 173.73 2df5 s VAL 36 N -1.26 2.62 -0.11 1.09 1.01 -1.26 -0.25 120.40 122.24 2df5 s VAL 36 Ca 0.36 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2df5 s VAL 36 Cb -0.20 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2df5 s VAL 36 CO 0.22 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.33 2df5 s PHE 37 N 0.36 2.71 -0.20 5.22 0.40 0.12 -1.06 117.98 125.53 2df5 s PHE 37 Ca -0.14 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.52 2df5 s PHE 37 Cb -0.17 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.61 2df5 s PHE 37 CO 0.07 -0.19 -0.13 0.20 0.70 0.00 0.00 175.22 175.87 2df5 s GLY 38 N 0.13 1.49 0.02 4.36 0.00 -1.26 0.20 107.32 112.26 2df5 s GLY 38 Ca -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.50 2df5 s GLY 38 CO 0.05 0.34 -0.16 0.50 0.00 0.00 0.00 173.10 173.83 2df5 s ARG 39 N 1.36 1.19 -0.14 2.90 1.81 -0.03 -4.75 118.95 121.29 2df5 s ARG 39 Ca 0.05 -0.71 -0.08 0.00 -1.72 0.00 0.00 55.73 53.28 2df5 s ARG 39 Cb -0.14 -1.20 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 2df5 s ARG 39 CO -0.08 0.31 0.14 0.08 -0.68 0.00 0.00 175.30 175.07 2df5 s VAL 40 N -0.61 5.47 0.13 3.52 1.01 -1.26 -1.52 120.40 127.14 2df5 s VAL 40 Ca 0.05 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2df5 s VAL 40 Cb -0.07 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2df5 s VAL 40 CO 0.01 0.58 0.02 -0.76 0.00 0.00 0.00 175.10 174.94 2df5 s LEU 41 N -0.69 3.47 0.13 3.92 1.43 0.19 -4.90 118.68 122.23 2df5 s LEU 41 Ca 0.13 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 2df5 s LEU 41 Cb -0.12 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 2df5 s LEU 41 CO 0.03 0.13 0.70 -2.16 0.23 0.00 0.00 176.35 175.28 2df5 s PRO 42 N -2.64 4.43 -1.42 1.29 0.04 -1.26 -1.73 135.00 133.71 2df5 s PRO 42 Ca 0.27 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 2df5 s PRO 42 Cb -0.11 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.24 2df5 s PRO 42 CO 0.19 0.58 2.25 0.28 0.04 0.00 0.00 177.00 180.34 2df5 n VAL 43 N 1.70 3.95 -3.72 -0.36 0.31 -1.26 -4.39 118.33 114.55 2df5 n VAL 43 Ca -0.07 -3.43 -0.13 0.00 -0.01 0.00 0.00 64.34 60.70 2df5 n VAL 43 Cb 0.49 -2.50 -0.14 0.00 -0.91 0.00 0.00 33.84 30.79 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 1.96 -0.09 0.47 2.52 1.01 -1.26 -0.94 120.40 124.07 2df5 s VAL 44 Ca 0.49 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 2df5 s VAL 44 Cb 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 36.11 2df5 s VAL 44 CO -0.06 0.08 1.22 -0.36 0.00 0.00 0.00 175.10 175.98 2df5 s PHE 45 N 1.41 2.75 0.00 5.22 0.40 -1.26 -1.10 117.98 125.40 2df5 s PHE 45 Ca -0.08 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 2df5 s PHE 45 Cb -0.11 -3.50 0.00 0.00 0.51 0.00 0.00 43.02 39.92 2df5 s PHE 45 CO -0.08 -1.87 0.00 0.41 0.70 0.00 0.00 175.22 174.38 2df5 n GLY 46 N 0.54 2.04 0.26 4.36 0.00 -1.26 -4.51 105.19 106.62 2df5 n GLY 46 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 0.71 -0.15 1.61 1.63 -1.95 -1.47 116.57 116.94 2df5 h LYS 47 Ca 0.00 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2df5 h LYS 47 Cb 0.00 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 2df5 h LYS 47 CO 0.00 0.47 -0.10 0.00 -3.45 0.00 0.00 179.45 176.37 2df5 h ALA 48 N 1.31 1.56 -0.21 5.00 0.00 -1.32 -0.87 119.26 124.73 2df5 h ALA 48 Ca 0.28 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2df5 h ALA 48 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2df5 h ALA 48 CO -0.15 0.32 -0.14 -0.22 0.00 0.00 0.00 179.25 179.07 2df5 h LYS 49 N 0.23 0.47 -0.04 0.00 3.64 -1.55 0.09 116.57 119.41 2df5 h LYS 49 Ca 0.05 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2df5 h LYS 49 Cb 0.32 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2df5 h LYS 49 CO 0.02 0.77 -0.06 0.93 -2.27 0.00 0.00 179.45 178.84 2df5 h GLU 50 N 0.17 -0.08 -0.70 1.90 5.08 -0.80 0.90 114.58 121.05 2df5 h GLU 50 Ca 0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2df5 h GLU 50 Cb 0.65 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2df5 h GLU 50 CO 0.04 -0.05 0.44 0.28 -1.00 0.00 0.00 179.01 178.72 2df5 h VAL 51 N -0.08 1.10 0.18 3.13 2.07 -1.14 -1.27 116.25 120.25 2df5 h VAL 51 Ca 0.04 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2df5 h VAL 51 Cb 0.13 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2df5 h VAL 51 CO -0.09 0.16 -0.09 0.25 0.02 0.00 0.00 177.57 177.83 2df5 h LEU 52 N 0.87 -0.20 -0.77 2.57 5.85 -0.50 -1.95 115.31 121.17 2df5 h LEU 52 Ca 0.28 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.94 2df5 h LEU 52 Cb 0.01 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 2df5 h LEU 52 CO -0.10 0.02 0.44 -0.33 -0.34 0.00 0.00 178.44 178.12 2df5 h GLU 53 N -0.43 0.74 -0.57 1.25 4.39 -0.66 -1.19 114.58 118.12 2df5 h GLU 53 Ca -0.02 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2df5 h GLU 53 Cb 0.33 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2df5 h GLU 53 CO 0.04 0.49 0.22 -0.22 -1.16 0.00 0.00 179.01 178.38 2df5 h LYS 54 N 0.77 0.86 -0.33 2.33 3.64 -1.17 -1.34 116.57 121.32 2df5 h LYS 54 Ca 0.36 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2df5 h LYS 54 Cb 0.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2df5 h LYS 54 CO -0.22 0.75 0.03 1.15 -2.27 0.00 0.00 179.45 178.89 2df5 h THR 55 N 0.78 1.25 -0.71 1.00 2.02 -0.81 -0.57 112.91 115.86 2df5 h THR 55 Ca 0.19 -0.89 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 2df5 h THR 55 Cb 0.22 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2df5 h THR 55 CO -0.01 0.29 0.18 -0.07 0.37 0.00 0.00 175.52 176.28 2df5 h LEU 56 N 0.38 1.07 -0.48 2.58 3.38 -1.14 -0.97 115.31 120.13 2df5 h LEU 56 Ca 0.10 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2df5 h LEU 56 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2df5 h LEU 56 CO 0.01 1.02 -0.10 -0.08 0.09 0.00 0.00 178.44 179.38 2df5 h GLU 57 N 1.08 0.92 0.63 1.13 4.57 -1.13 0.35 114.58 122.13 2df5 h GLU 57 Ca 0.23 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 2df5 h GLU 57 Cb 0.36 -0.06 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2df5 h GLU 57 CO 0.00 1.00 -0.30 1.49 -1.18 0.00 0.00 179.01 180.01 2df5 h GLU 58 N 0.77 -0.82 0.18 1.92 4.81 -0.90 -3.35 114.58 117.18 2df5 h GLU 58 Ca 0.12 0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 59.14 2df5 h GLU 58 Cb 0.65 0.19 0.03 0.00 0.63 0.00 0.00 28.75 30.25 2df5 h GLU 58 CO 0.04 -0.50 -1.17 0.82 -0.73 0.00 0.00 179.01 177.48 2df5 h ILE 59 N -1.05 1.37 -5.68 2.32 2.04 -1.25 -3.49 117.51 111.77 2df5 h ILE 59 Ca -0.09 -2.57 -0.32 0.00 1.00 0.00 0.00 64.86 62.88 2df5 h ILE 59 Cb 0.70 3.02 0.16 0.00 -0.74 0.00 0.00 36.82 39.95 2df5 h ILE 59 CO 0.14 0.76 -0.81 0.29 0.00 0.00 0.00 178.15 178.53 2df5 n LYS 60 N -3.90 -5.08 -1.60 2.37 5.02 0.12 -4.94 118.16 110.15 2df5 n LYS 60 Ca -0.15 0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 56.59 2df5 n LYS 60 Cb 0.97 -5.71 0.08 0.00 -0.02 0.00 0.00 35.03 30.34 2df5 n LYS 60 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2df5 n PRO 61 N -3.92 0.91 0.05 1.97 -0.02 -1.26 -4.91 135.00 127.82 2df5 n PRO 61 Ca -0.23 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2df5 n PRO 61 Cb 0.66 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2df5 n PRO 61 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2df5 h ASP 62 N 0.27 0.00 -3.51 2.55 3.32 -1.06 -3.34 116.42 114.65 2df5 h ASP 62 Ca -0.50 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.25 2df5 h ASP 62 Cb 1.34 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.55 2df5 h ASP 62 CO 0.51 0.57 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.24 2df5 s ILE 63 N -2.93 -0.05 -0.12 0.35 1.01 -1.03 -2.12 121.20 116.31 2df5 s ILE 63 Ca -0.02 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2df5 s ILE 63 Cb 0.09 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.48 2df5 s ILE 63 CO 0.80 0.10 -0.16 0.00 0.00 0.00 0.00 174.94 175.68 2df5 s ALA 64 N 1.13 1.80 -0.20 9.38 0.00 -0.13 -0.30 121.76 133.44 2df5 s ALA 64 Ca -0.08 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.08 2df5 s ALA 64 Cb -0.13 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.15 2df5 s ALA 64 CO -0.03 -0.09 -0.12 0.42 0.00 0.00 0.00 175.76 175.94 2df5 s ILE 65 N 1.00 1.80 -0.17 0.00 1.01 0.17 -2.37 121.20 122.63 2df5 s ILE 65 Ca -0.06 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 2df5 s ILE 65 Cb -0.15 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2df5 s ILE 65 CO -0.02 0.20 0.21 -1.00 0.00 0.00 0.00 174.94 174.33 2df5 s HIS 66 N 1.33 3.46 -0.00 3.97 3.76 -0.73 -2.10 115.29 124.97 2df5 s HIS 66 Ca -0.01 0.49 0.05 0.00 -0.15 0.00 0.00 55.06 55.43 2df5 s HIS 66 Cb -0.16 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 2df5 s HIS 66 CO -0.08 0.31 -0.15 0.08 -0.85 0.00 0.00 174.74 174.05 2df5 s VAL 67 N 0.26 3.02 0.11 -0.90 1.01 0.06 0.75 120.40 124.71 2df5 s VAL 67 Ca 0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2df5 s VAL 67 Cb -0.12 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2df5 s VAL 67 CO 0.02 0.46 0.14 -0.83 0.00 0.00 0.00 175.10 174.88 2df5 s GLY 68 N -1.13 0.45 -0.19 4.51 0.00 0.28 -4.21 107.32 107.03 2df5 s GLY 68 Ca 0.14 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.68 2df5 s GLY 68 CO 0.04 -1.04 0.55 -2.27 0.00 0.00 0.00 173.10 170.38 2df5 s LEU 69 N -2.94 4.15 -0.66 0.66 0.20 -1.26 -1.08 118.68 117.76 2df5 s LEU 69 Ca 0.12 0.73 0.01 0.00 0.69 0.00 0.00 54.13 55.68 2df5 s LEU 69 Cb 0.06 -2.76 0.16 0.00 -0.43 0.00 0.00 46.19 43.22 2df5 s LEU 69 CO -0.06 -0.19 0.46 0.00 -0.29 0.00 0.00 176.35 176.27 2df5 s ALA 70 N 1.65 3.67 0.25 5.97 0.00 -0.33 -4.89 121.76 128.08 2df5 s ALA 70 Ca 0.26 -3.49 -0.30 0.00 0.00 0.00 0.00 51.96 48.42 2df5 s ALA 70 Cb -0.16 -2.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.37 2df5 s ALA 70 CO 0.10 -2.09 1.30 -2.30 0.00 0.00 0.00 175.76 172.77 2df5 n PRO 71 N 2.86 1.84 0.00 0.00 -0.02 -1.26 -1.71 135.00 136.71 2df5 n PRO 71 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2df5 n PRO 71 Cb 0.35 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 1.76 2.70 3.75 -1.23 0.00 -1.26 -5.03 105.19 105.88 2df5 n GLY 72 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.54 4.52 0.02 1.61 6.06 -0.70 -4.62 118.95 125.29 2df5 s ARG 73 Ca 0.00 1.91 0.22 0.00 -2.50 0.00 0.00 55.73 55.36 2df5 s ARG 73 Cb 0.00 -3.20 -0.06 0.00 0.06 0.00 0.00 34.95 31.75 2df5 s ARG 73 CO 0.00 -0.02 0.94 -1.13 -2.50 0.00 0.00 175.30 172.59 2df5 n SER 74 N 1.89 0.63 -3.54 -2.12 3.41 -1.26 -4.47 113.62 108.16 2df5 n SER 74 Ca 0.02 -0.41 -0.15 0.00 -0.26 0.00 0.00 58.87 58.08 2df5 n SER 74 Cb 0.44 0.99 -0.06 0.00 -0.26 0.00 0.00 64.21 65.32 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 -3.17 1.01 0.27 7.33 0.00 -1.26 -4.84 121.76 121.09 2df5 s ALA 75 Ca 0.04 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 2df5 s ALA 75 Cb 0.15 1.27 -0.10 0.00 0.00 0.00 0.00 23.12 24.45 2df5 s ALA 75 CO 0.83 -0.73 1.27 0.42 0.00 0.00 0.00 175.76 177.55 2df5 s ILE 76 N -3.47 3.06 -0.03 0.00 -1.09 -0.77 -4.43 121.20 114.46 2df5 s ILE 76 Ca 0.34 0.98 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 2df5 s ILE 76 Cb 0.02 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2df5 s ILE 76 CO 0.19 0.20 -0.11 -0.94 -1.23 0.00 0.00 174.94 173.05 2df5 s SER 77 N -0.24 1.47 -0.24 3.58 1.04 -0.73 -1.13 113.70 117.44 2df5 s SER 77 Ca 0.51 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.63 2df5 s SER 77 Cb -0.37 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.28 2df5 s SER 77 CO 0.45 0.08 0.07 -0.63 0.98 0.00 0.00 173.24 174.19 2df5 s ILE 78 N 0.24 4.37 0.21 -1.02 1.01 -0.68 -0.80 121.20 124.53 2df5 s ILE 78 Ca -0.05 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2df5 s ILE 78 Cb -0.10 -3.04 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 2df5 s ILE 78 CO 0.01 0.34 1.20 -1.61 0.00 0.00 0.00 174.94 174.89 2df5 s GLU 79 N 1.53 4.49 -0.16 2.79 0.41 -0.54 -1.11 118.70 126.11 2df5 s GLU 79 Ca 0.06 1.91 0.07 0.00 -0.41 0.00 0.00 54.97 56.60 2df5 s GLU 79 Cb -0.15 -3.21 -0.23 0.00 -1.78 0.00 0.00 34.13 28.76 2df5 s GLU 79 CO 0.04 -0.07 0.20 -2.13 -0.49 0.00 0.00 175.26 172.81 2df5 n ARG 80 N 2.18 0.68 -3.99 1.61 0.63 -0.39 -4.53 116.66 112.85 2df5 n ARG 80 Ca 0.03 0.17 -0.11 0.00 -0.92 0.00 0.00 57.85 57.02 2df5 n ARG 80 Cb 0.44 -1.63 -0.12 0.00 0.45 0.00 0.00 32.46 31.60 2df5 n ARG 80 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2df5 s ILE 81 N -2.54 0.21 -0.12 5.15 2.07 -1.26 -0.87 121.20 123.84 2df5 s ILE 81 Ca -0.18 -0.63 -0.02 0.00 -1.41 0.00 0.00 60.65 58.41 2df5 s ILE 81 Cb 0.07 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 2df5 s ILE 81 CO 0.76 -0.28 -0.06 0.00 -1.91 0.00 0.00 174.94 173.46 2df5 s ALA 82 N -0.92 2.98 -0.09 1.50 0.00 0.31 -4.27 121.76 121.27 2df5 s ALA 82 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2df5 s ALA 82 Cb -0.07 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 2df5 s ALA 82 CO -0.00 0.37 -0.09 0.08 0.00 0.00 0.00 175.76 176.12 2df5 s VAL 83 N -0.13 3.49 -1.07 0.00 1.01 -1.26 -0.49 120.40 121.95 2df5 s VAL 83 Ca 0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2df5 s VAL 83 Cb -0.13 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2df5 s VAL 83 CO 0.03 0.57 2.61 -3.20 0.00 0.00 0.00 175.10 175.10 2df5 n ASN 84 N 2.68 6.43 -3.76 3.32 5.15 0.83 -4.83 115.26 125.08 2df5 n ASN 84 Ca -0.18 -2.42 -0.10 0.00 -0.60 0.00 0.00 54.58 51.28 2df5 n ASN 84 Cb 0.53 -1.29 -0.07 0.00 -0.53 0.00 0.00 39.78 38.42 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 2.57 -0.57 -0.06 5.20 0.00 -1.26 -3.67 121.76 123.97 2df5 s ALA 85 Ca 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 2df5 s ALA 85 Cb 0.16 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.79 2df5 s ALA 85 CO -0.04 -0.51 -0.01 0.42 0.00 0.00 0.00 175.76 175.62 2df5 s ILE 86 N -3.38 0.40 -0.47 0.00 1.01 0.19 -4.75 121.20 114.20 2df5 s ILE 86 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.76 2df5 s ILE 86 Cb 0.02 -0.51 0.23 0.00 0.01 0.00 0.00 42.46 42.21 2df5 s ILE 86 CO -0.09 0.23 0.76 -0.67 0.00 0.00 0.00 174.94 175.18 2df5 n ASP 87 N 4.66 -2.25 -4.69 3.58 -0.08 -0.96 -1.87 116.55 114.94 2df5 n ASP 87 Ca -0.15 -3.08 -0.42 0.00 -1.51 0.00 0.00 54.79 49.63 2df5 n ASP 87 Cb 0.50 1.21 -0.03 0.00 2.34 0.00 0.00 41.12 45.14 2df5 n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2df5 s ALA 88 N 0.31 3.75 -0.02 -1.67 0.00 -0.60 -4.72 121.76 118.81 2df5 s ALA 88 Ca 0.32 1.42 0.18 0.00 0.00 0.00 0.00 51.96 53.88 2df5 s ALA 88 Cb 0.17 -3.76 0.42 0.00 0.00 0.00 0.00 23.12 19.96 2df5 s ALA 88 CO -0.19 -1.22 1.61 -0.09 0.00 0.00 0.00 175.76 175.87 2df5 h ARG 89 N 8.61 0.00 -4.89 0.00 2.43 -1.90 -3.45 114.38 115.19 2df5 h ARG 89 Ca -0.46 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.42 2df5 h ARG 89 Cb 1.22 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.60 2df5 h ARG 89 CO 0.95 0.40 -0.72 0.96 -1.51 0.00 0.00 179.97 180.04 2df5 s ILE 90 N -3.28 0.90 0.87 1.20 -4.36 -1.26 -5.16 121.20 110.11 2df5 s ILE 90 Ca 0.02 -1.77 -0.12 0.00 -0.26 0.00 0.00 60.65 58.53 2df5 s ILE 90 Cb 0.09 -1.50 0.11 0.00 1.25 0.00 0.00 42.46 42.41 2df5 s ILE 90 CO 0.70 -0.66 1.10 -2.16 0.24 0.00 0.00 174.94 174.16 2df5 s PRO 91 N -3.17 1.52 0.24 0.37 0.04 -1.26 -4.83 135.00 127.90 2df5 s PRO 91 Ca 0.08 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.70 2df5 s PRO 91 Cb -0.00 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2df5 s PRO 91 CO -0.01 -2.01 0.32 -0.40 0.04 0.00 0.00 177.00 174.94 2df5 n ASP 92 N -3.69 0.07 0.00 6.66 3.85 -0.04 -4.87 116.55 118.52 2df5 n ASP 92 Ca 0.07 -1.14 0.06 0.00 -0.71 0.00 0.00 54.79 53.06 2df5 n ASP 92 Cb 0.57 -0.24 0.32 0.00 -1.35 0.00 0.00 41.12 40.41 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 -3.18 0.00 -0.22 -1.12 5.03 -0.12 -2.24 115.26 113.41 2df5 n ASN 93 Ca 0.04 -0.07 0.06 0.00 0.87 0.00 0.00 54.58 55.49 2df5 n ASN 93 Cb 0.14 -0.18 0.11 0.00 -1.02 0.00 0.00 39.78 38.84 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 -1.18 2.23 -0.90 3.52 1.02 -1.26 -4.98 120.64 119.09 2df5 n GLU 94 Ca 0.07 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.99 2df5 n GLU 94 Cb 0.07 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 2df5 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2df5 n GLY 95 N -0.81 0.56 3.65 0.62 0.00 -0.95 -5.03 105.19 103.23 2df5 n GLY 95 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.10 4.14 -0.47 1.61 1.02 -1.26 -4.79 119.74 119.89 2df5 s LYS 96 Ca 0.00 0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.30 2df5 s LYS 96 Cb 0.00 -3.58 0.13 0.00 -0.52 0.00 0.00 37.83 33.86 2df5 s LYS 96 CO 0.00 -0.17 0.23 0.21 -0.92 0.00 0.00 175.35 174.70 2df5 s LYS 97 N 1.71 1.70 0.09 1.68 2.20 -1.26 -0.86 119.74 124.99 2df5 s LYS 97 Ca 0.21 -2.33 -0.29 0.00 -0.36 0.00 0.00 55.97 53.20 2df5 s LYS 97 Cb -0.15 -3.00 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 2df5 s LYS 97 CO 0.09 -1.10 0.91 0.42 -0.36 0.00 0.00 175.35 175.31 2df5 s ILE 98 N 0.07 4.58 -0.02 5.43 1.01 -1.26 -4.92 121.20 126.08 2df5 s ILE 98 Ca 0.16 1.96 0.05 0.00 0.00 0.00 0.00 60.65 62.82 2df5 s ILE 98 Cb -0.25 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 2df5 s ILE 98 CO -0.02 0.32 -0.16 -1.61 0.00 0.00 0.00 174.94 173.48 2df5 s GLU 99 N 0.04 1.32 -0.86 2.79 2.02 -1.26 -1.56 118.70 121.19 2df5 s GLU 99 Ca 0.45 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.84 2df5 s GLU 99 Cb -0.22 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 32.75 2df5 s GLU 99 CO 0.28 0.33 0.64 -0.25 0.02 0.00 0.00 175.26 176.27 2df5 n ASP 100 N 2.75 -5.33 -3.78 -0.19 8.00 -0.78 -4.94 116.55 112.28 2df5 n ASP 100 Ca -0.15 -0.84 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 2df5 n ASP 100 Cb 0.54 -2.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.15 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 -4.87 0.38 0.65 -1.24 2.12 -0.98 -4.98 118.70 109.77 2df5 s GLU 101 Ca 0.07 0.26 -0.11 0.00 0.36 0.00 0.00 54.97 55.54 2df5 s GLU 101 Cb -0.03 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.51 2df5 s GLU 101 CO 0.88 -0.06 1.04 -1.25 -0.54 0.00 0.00 175.26 175.33 2df5 s PRO 102 N -0.14 3.38 -0.09 4.30 0.04 -1.26 0.57 135.00 141.79 2df5 s PRO 102 Ca -0.03 0.79 -0.19 0.00 0.04 0.00 0.00 61.00 61.61 2df5 s PRO 102 Cb -0.03 -2.05 -0.28 0.00 0.04 0.00 0.00 34.50 32.18 2df5 s PRO 102 CO 0.01 -0.74 0.66 0.82 0.04 0.00 0.00 177.00 177.78 2df5 h ILE 103 N -0.45 1.23 -3.01 0.56 2.04 -1.85 -3.44 117.51 112.59 2df5 h ILE 103 Ca -0.44 -2.43 -0.56 0.00 1.00 0.00 0.00 64.86 62.43 2df5 h ILE 103 Cb 1.20 2.88 -0.40 0.00 -0.74 0.00 0.00 36.82 39.76 2df5 h ILE 103 CO 0.61 0.68 -0.77 -0.69 0.00 0.00 0.00 178.15 177.98 2df5 s VAL 104 N -2.44 0.50 0.21 1.67 1.01 -1.26 -5.09 120.40 114.99 2df5 s VAL 104 Ca -0.18 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 60.34 2df5 s VAL 104 Cb 0.03 -1.39 -0.15 0.00 0.00 0.00 0.00 36.38 34.87 2df5 s VAL 104 CO 0.77 -0.70 1.16 -2.65 0.00 0.00 0.00 175.10 173.69 2df5 n PRO 105 N 5.01 1.33 -0.88 2.72 -0.02 -1.26 -1.34 135.00 140.57 2df5 n PRO 105 Ca -0.04 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2df5 n PRO 105 Cb 0.42 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.86 0.72 3.92 -1.23 0.00 -1.26 -5.01 105.19 104.20 2df5 n GLY 106 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.15 3.56 0.23 4.61 0.00 -0.45 -5.01 121.76 121.55 2df5 s ALA 107 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 2df5 s ALA 107 Cb 0.00 -2.33 -0.16 0.00 0.00 0.00 0.00 23.12 20.63 2df5 s ALA 107 CO 0.00 -0.13 0.80 -2.30 0.00 0.00 0.00 175.76 174.13 2df5 n PRO 108 N -1.89 0.66 -0.19 0.00 -0.02 -1.26 -4.83 135.00 127.46 2df5 n PRO 108 Ca -0.02 0.23 0.17 0.00 -2.02 0.00 0.00 63.50 61.86 2df5 n PRO 108 Cb 0.55 -1.45 0.51 0.00 -0.02 0.00 0.00 33.50 33.10 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 1.64 0.75 -3.04 3.45 2.02 -1.95 -3.40 112.91 112.38 2df5 h THR 109 Ca -0.35 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2df5 h THR 109 Cb 1.39 0.31 -0.11 0.00 -1.74 0.00 0.00 68.15 68.00 2df5 h THR 109 CO 0.60 0.07 0.19 0.00 0.37 0.00 0.00 175.52 176.75 2df5 s ALA 110 N -5.41 -1.48 0.03 6.16 0.00 -1.26 -0.12 121.76 119.68 2df5 s ALA 110 Ca -0.08 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.27 2df5 s ALA 110 Cb 0.22 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 2df5 s ALA 110 CO 0.77 -0.80 -0.17 0.71 0.00 0.00 0.00 175.76 176.28 2df5 s TYR 111 N -3.78 1.50 0.10 0.00 1.51 0.35 -4.97 117.35 112.06 2df5 s TYR 111 Ca 0.03 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 2df5 s TYR 111 Cb -0.01 -0.91 -0.07 0.00 -0.11 0.00 0.00 41.96 40.86 2df5 s TYR 111 CO -0.10 0.05 0.54 -0.06 -1.11 0.00 0.00 175.55 174.86 2df5 s PHE 112 N -0.73 3.69 0.51 2.71 2.99 -1.26 -0.53 117.98 125.36 2df5 s PHE 112 Ca 0.05 1.13 -0.22 0.00 0.00 0.00 0.00 56.93 57.88 2df5 s PHE 112 Cb -0.08 -2.40 -0.06 0.00 0.00 0.00 0.00 43.02 40.48 2df5 s PHE 112 CO 0.01 0.52 1.30 0.45 -0.00 0.00 0.00 175.22 177.49 2df5 s SER 113 N -1.42 5.61 0.00 1.36 0.15 -0.05 -4.92 113.70 114.44 2df5 s SER 113 Ca 0.33 2.62 0.20 0.00 0.70 0.00 0.00 55.95 59.79 2df5 s SER 113 Cb -0.17 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.02 2df5 s SER 113 CO 0.18 -1.33 1.42 0.35 1.20 0.00 0.00 173.24 175.07 2df5 n THR 114 N -0.79 0.86 -1.95 6.45 -2.24 -0.30 -4.97 114.28 111.35 2df5 n THR 114 Ca 0.09 -0.93 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 2df5 n THR 114 Cb 0.46 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.10 3.14 -1.47 3.22 1.43 -1.23 -4.50 118.68 118.17 2df5 s LEU 115 Ca 0.40 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 2df5 s LEU 115 Cb 0.21 -4.19 0.03 0.00 0.03 0.00 0.00 46.19 42.27 2df5 s LEU 115 CO 0.28 -1.03 2.44 -2.65 0.23 0.00 0.00 176.35 175.62 2df5 n PRO 116 N -2.80 3.46 -0.32 1.29 -0.02 -1.26 -4.78 135.00 130.57 2df5 n PRO 116 Ca 0.06 -2.71 0.11 0.00 -2.02 0.00 0.00 63.50 58.93 2df5 n PRO 116 Cb 0.55 -3.00 0.28 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.47 0.68 -0.16 4.25 3.07 -1.94 0.20 117.51 127.08 2df5 h ILE 117 Ca 0.66 -0.22 -0.15 0.00 1.55 0.00 0.00 64.86 66.69 2df5 h ILE 117 Cb 0.48 -0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 37.00 2df5 h ILE 117 CO 1.77 0.12 -0.55 0.11 -1.05 0.00 0.00 178.15 178.54 2df5 h LYS 118 N 0.65 0.47 -0.00 0.16 1.79 -2.00 -1.80 116.57 115.84 2df5 h LYS 118 Ca 0.53 -0.30 -0.20 0.00 -2.18 0.00 0.00 60.65 58.51 2df5 h LYS 118 Cb 0.83 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2df5 h LYS 118 CO -0.40 0.90 -0.86 0.87 -1.08 0.00 0.00 179.45 178.87 2df5 h LYS 119 N 0.36 0.20 -0.31 3.15 1.57 -1.68 -2.31 116.57 117.55 2df5 h LYS 119 Ca 0.01 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2df5 h LYS 119 Cb 1.08 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2df5 h LYS 119 CO 0.10 0.95 0.14 0.82 -0.57 0.00 0.00 179.45 180.89 2df5 h ILE 120 N 0.11 1.16 -0.81 1.86 2.04 -0.55 -1.67 117.51 119.66 2df5 h ILE 120 Ca -0.04 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2df5 h ILE 120 Cb 1.49 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2df5 h ILE 120 CO 0.13 0.17 0.49 -0.03 0.00 0.00 0.00 178.15 178.91 2df5 h MET 121 N 0.36 1.11 -0.53 2.37 4.05 -1.27 -1.22 114.93 119.79 2df5 h MET 121 Ca 0.10 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2df5 h MET 121 Cb 0.14 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 2df5 h MET 121 CO -0.01 0.78 0.20 -0.22 0.23 0.00 0.00 176.91 177.89 2df5 h LYS 122 N 1.12 0.79 -0.58 0.39 3.64 -1.18 -1.79 116.57 118.96 2df5 h LYS 122 Ca 0.29 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2df5 h LYS 122 Cb -0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2df5 h LYS 122 CO -0.05 0.70 0.07 -0.22 -2.27 0.00 0.00 179.45 177.67 2df5 h LYS 123 N 0.71 0.98 -0.74 1.90 1.63 -1.04 -2.06 116.57 117.95 2df5 h LYS 123 Ca 0.17 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2df5 h LYS 123 Cb 0.21 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 2df5 h LYS 123 CO -0.01 0.94 0.35 -0.07 -3.45 0.00 0.00 179.45 177.20 2df5 h LEU 124 N 0.88 0.97 -0.96 5.20 3.38 -1.06 -2.02 115.31 121.70 2df5 h LEU 124 Ca 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2df5 h LEU 124 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2df5 h LEU 124 CO 0.02 0.83 -0.04 0.45 0.09 0.00 0.00 178.44 179.78 2df5 h HIS 125 N 1.06 0.75 0.00 1.13 3.86 -0.98 0.15 115.15 121.12 2df5 h HIS 125 Ca 0.26 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2df5 h HIS 125 Cb 0.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2df5 h HIS 125 CO 0.01 0.73 -0.37 0.93 0.86 0.00 0.00 177.93 180.10 2df5 h GLU 126 N 0.66 0.00 -0.08 2.45 5.08 -0.85 -1.67 114.58 120.16 2df5 h GLU 126 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2df5 h GLU 126 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2df5 h GLU 126 CO 0.02 0.37 0.00 0.54 -1.00 0.00 0.00 179.01 178.94 2df5 n ARG 127 N -3.93 1.45 -1.37 2.33 5.12 -0.81 -4.90 116.66 114.54 2df5 n ARG 127 Ca -0.02 -0.66 -0.04 0.00 -1.93 0.00 0.00 57.85 55.20 2df5 n ARG 127 Cb 0.42 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.32 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 1.03 0.56 3.32 -0.13 0.00 -0.63 -5.02 105.19 104.31 2df5 n GLY 128 Ca 0.17 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.16 4.20 0.17 -0.61 1.01 0.47 -5.00 121.20 119.27 2df5 s ILE 129 Ca 0.00 -1.07 -0.33 0.00 0.00 0.00 0.00 60.65 59.25 2df5 s ILE 129 Cb 0.00 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 38.94 2df5 s ILE 129 CO 0.00 -0.27 1.64 -0.81 0.00 0.00 0.00 174.94 175.51 2df5 n PRO 130 N 4.91 2.38 -3.67 2.79 -0.04 -1.26 -3.75 135.00 136.35 2df5 n PRO 130 Ca -0.12 0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 64.07 2df5 n PRO 130 Cb 0.45 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 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 1.13 -1.03 0.16 0.55 0.00 -1.26 -1.85 121.76 119.46 2df5 s ALA 131 Ca 0.78 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 2df5 s ALA 131 Cb -0.62 0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2df5 s ALA 131 CO 0.36 -0.40 0.39 1.52 0.00 0.00 0.00 175.76 177.63 2df5 s TYR 132 N -2.06 0.03 -0.20 0.00 -0.85 -0.28 -4.94 117.35 109.05 2df5 s TYR 132 Ca -0.08 -0.38 -0.23 0.00 -0.52 0.00 0.00 57.07 55.86 2df5 s TYR 132 Cb -0.02 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.48 2df5 s TYR 132 CO 0.01 -0.76 0.72 0.42 -1.52 0.00 0.00 175.55 174.41 2df5 s ILE 133 N -3.88 4.95 -0.06 -3.49 -1.09 -1.26 -1.68 121.20 114.69 2df5 s ILE 133 Ca 0.09 1.37 -0.09 0.00 -2.23 0.00 0.00 60.65 59.78 2df5 s ILE 133 Cb 0.02 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 2df5 s ILE 133 CO -0.05 0.06 0.25 -0.55 -1.23 0.00 0.00 174.94 173.42 2df5 s SER 134 N 1.22 6.55 -0.04 3.58 0.15 -0.27 -4.90 113.70 119.99 2df5 s SER 134 Ca 0.32 0.65 0.18 0.00 0.70 0.00 0.00 55.95 57.80 2df5 s SER 134 Cb -0.16 -2.13 0.56 0.00 -1.71 0.00 0.00 66.02 62.58 2df5 s SER 134 CO 0.11 0.35 1.47 0.59 1.20 0.00 0.00 173.24 176.96 2df5 n ASN 135 N 1.77 3.87 -3.60 5.45 5.03 -1.26 -1.26 115.26 125.27 2df5 n ASN 135 Ca -0.16 -2.18 -0.01 0.00 0.87 0.00 0.00 54.58 53.09 2df5 n ASN 135 Cb 0.54 -0.44 -0.04 0.00 -1.02 0.00 0.00 39.78 38.81 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 -1.04 -1.06 -0.03 6.41 0.15 -1.26 -4.67 113.70 112.20 2df5 s SER 136 Ca 0.42 1.43 0.09 0.00 0.70 0.00 0.00 55.95 58.59 2df5 s SER 136 Cb 0.24 2.18 0.32 0.00 -1.71 0.00 0.00 66.02 67.05 2df5 s SER 136 CO 0.25 -0.23 1.20 0.00 1.20 0.00 0.00 173.24 175.66 2df5 n ALA 137 N 5.44 2.64 0.00 5.45 0.00 -1.26 -5.03 120.51 127.75 2df5 n ALA 137 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2df5 n ALA 137 Cb 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.83 -2.16 0.70 0.00 0.00 -1.26 -3.93 105.19 99.38 2df5 n GLY 138 Ca 0.12 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.63 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 1.57 0.00 0.99 4.77 -1.26 -4.56 117.00 118.50 2df5 n LEU 139 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 2df5 n LEU 139 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2df5 n LEU 139 CO 0.00 0.75 0.00 0.00 -1.33 0.00 0.00 177.39 176.81 2df5 n TYR 140 N -0.50 0.00 0.12 -1.77 9.36 -1.26 -2.26 117.16 120.84 2df5 n TYR 140 Ca 0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.30 2df5 n TYR 140 Cb 0.81 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.62 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 -0.56 2.98 4.07 -1.96 -2.69 115.31 117.15 2df5 h LEU 141 Ca 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2df5 h LEU 141 Cb 0.00 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2df5 h LEU 141 CO 0.00 0.70 0.15 0.00 -1.08 0.00 0.00 178.44 178.22 2df5 h ASN 143 N 0.79 0.76 -0.02 0.00 -1.24 -1.67 -1.81 115.58 112.39 2df5 h ASN 143 Ca 0.18 -0.33 0.03 0.00 0.71 0.00 0.00 56.30 56.89 2df5 h ASN 143 Cb 0.32 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.10 2df5 h ASN 143 CO -0.00 1.05 -0.28 0.22 -1.29 0.00 0.00 177.43 177.12 2df5 h TYR 144 N 0.60 -0.77 -0.46 0.67 3.20 -1.10 0.21 116.97 119.32 2df5 h TYR 144 Ca 0.06 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2df5 h TYR 144 Cb 0.90 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 2df5 h TYR 144 CO 0.04 -0.38 0.06 0.28 -1.64 0.00 0.00 178.16 176.53 2df5 h VAL 145 N -0.42 1.25 -0.49 1.81 2.07 -0.97 -1.79 116.25 117.70 2df5 h VAL 145 Ca 0.07 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.70 2df5 h VAL 145 Cb 0.51 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2df5 h VAL 145 CO -0.26 0.33 0.19 -0.03 0.02 0.00 0.00 177.57 177.82 2df5 h MET 146 N 0.64 0.37 -0.06 1.57 1.85 -0.85 0.01 114.93 118.45 2df5 h MET 146 Ca 0.14 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 2df5 h MET 146 Cb 0.42 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.36 2df5 h MET 146 CO 0.01 0.24 0.01 -0.92 -0.40 0.00 0.00 176.91 175.86 2df5 h TYR 147 N 0.38 0.11 -0.86 1.39 3.20 -0.44 -1.82 116.97 118.93 2df5 h TYR 147 Ca 0.23 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.13 2df5 h TYR 147 Cb 0.22 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2df5 h TYR 147 CO -0.15 0.31 0.55 -0.07 -1.64 0.00 0.00 178.16 177.16 2df5 h LEU 148 N -0.13 0.90 -0.27 2.82 3.38 -1.06 0.19 115.31 121.14 2df5 h LEU 148 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2df5 h LEU 148 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2df5 h LEU 148 CO 0.00 0.61 0.07 -1.28 0.09 0.00 0.00 178.44 177.93 2df5 h SER 149 N 1.05 0.41 0.32 -0.43 0.87 -0.89 0.11 113.55 114.99 2df5 h SER 149 Ca 0.35 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2df5 h SER 149 Cb 0.05 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2df5 h SER 149 CO -0.13 0.53 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.27 2df5 h LEU 150 N 0.27 0.06 -0.26 2.23 3.38 -0.90 -1.47 115.31 118.62 2df5 h LEU 150 Ca 0.09 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 2df5 h LEU 150 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2df5 h LEU 150 CO 0.00 0.42 -0.69 -0.74 0.09 0.00 0.00 178.44 177.51 2df5 h HIS 151 N 0.05 0.98 -0.21 1.13 2.76 -0.31 -2.16 115.15 117.39 2df5 h HIS 151 Ca 0.00 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 2df5 h HIS 151 Cb 0.66 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2df5 h HIS 151 CO 0.00 1.22 0.14 1.25 -1.30 0.00 0.00 177.93 179.24 2df5 h HIS 152 N 0.53 0.27 -0.78 5.26 -0.00 -0.43 0.20 115.15 120.21 2df5 h HIS 152 Ca -0.03 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.44 2df5 h HIS 152 Cb 1.30 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 28.55 2df5 h HIS 152 CO 0.07 0.19 0.43 1.03 -0.00 0.00 0.00 177.93 179.65 2df5 h SER 153 N 0.28 0.61 0.79 3.26 0.87 -1.20 0.61 113.55 118.77 2df5 h SER 153 Ca 0.08 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2df5 h SER 153 Cb -0.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2df5 h SER 153 CO -0.02 0.35 -0.57 0.00 -0.53 0.00 0.00 176.83 176.06 2df5 h ALA 154 N 1.43 0.89 0.08 6.23 0.00 -0.94 0.62 119.26 127.58 2df5 h ALA 154 Ca 0.37 -0.52 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 2df5 h ALA 154 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2df5 h ALA 154 CO -0.24 0.72 -1.63 1.15 0.00 0.00 0.00 179.25 179.25 2df5 h THR 155 N 0.00 1.02 -0.00 0.00 2.02 0.02 -3.39 112.91 112.57 2df5 h THR 155 Ca -0.01 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.44 2df5 h THR 155 Cb 1.12 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2df5 h THR 155 CO 0.07 0.76 -0.32 0.29 0.37 0.00 0.00 175.52 176.69 2df5 n LYS 156 N -3.35 3.91 -0.82 6.66 4.76 0.21 -5.00 118.16 124.53 2df5 n LYS 156 Ca -0.18 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.13 2df5 n LYS 156 Cb 1.04 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 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 1.10 0.83 3.39 0.72 0.00 0.20 -5.00 105.19 106.43 2df5 n GLY 157 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.22 -0.45 0.36 1.61 -0.85 -1.21 -4.19 117.35 109.40 2df5 s TYR 158 Ca 0.00 0.82 -0.27 0.00 -0.52 0.00 0.00 57.07 57.10 2df5 s TYR 158 Cb 0.00 0.25 -0.09 0.00 0.38 0.00 0.00 41.96 42.50 2df5 s TYR 158 CO 0.00 -0.48 1.16 -1.25 -1.52 0.00 0.00 175.55 173.46 2df5 s PRO 159 N -1.05 4.24 0.45 -3.49 0.04 -1.25 -3.23 135.00 130.71 2df5 s PRO 159 Ca -0.11 1.85 0.12 0.00 0.04 0.00 0.00 61.00 62.90 2df5 s PRO 159 Cb -0.03 -2.83 1.04 0.00 0.04 0.00 0.00 34.50 32.72 2df5 s PRO 159 CO 0.06 -0.16 2.06 -0.22 0.04 0.00 0.00 177.00 178.78 2df5 h LYS 160 N 2.99 0.33 -4.75 4.56 1.63 -1.59 -3.40 116.57 116.35 2df5 h LYS 160 Ca -0.48 -0.02 -0.56 0.00 -0.85 0.00 0.00 60.65 58.74 2df5 h LYS 160 Cb 1.23 -0.08 -0.34 0.00 -0.60 0.00 0.00 32.23 32.44 2df5 h LYS 160 CO 0.64 0.22 -0.83 -1.64 -3.45 0.00 0.00 179.45 174.39 2df5 s MET 161 N -5.33 2.08 -0.08 1.90 -1.94 -1.02 -4.92 119.30 109.98 2df5 s MET 161 Ca -0.07 -0.54 -0.06 0.00 -1.71 0.00 0.00 55.69 53.31 2df5 s MET 161 Cb 0.18 -1.68 0.03 0.00 2.01 0.00 0.00 34.83 35.36 2df5 s MET 161 CO 0.72 0.04 0.22 0.45 -0.01 0.00 0.00 175.02 176.44 2df5 s SER 162 N 0.67 -0.22 0.37 3.03 0.15 -1.26 -0.95 113.70 115.48 2df5 s SER 162 Ca -0.14 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.80 2df5 s SER 162 Cb -0.16 0.41 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2df5 s SER 162 CO 0.04 -0.10 0.82 0.61 1.20 0.00 0.00 173.24 175.81 2df5 n GLY 163 N 3.37 0.93 3.00 9.45 0.00 -1.00 -1.15 105.19 119.80 2df5 n GLY 163 Ca -0.17 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.16 0.53 -0.03 1.61 2.19 -1.26 -1.78 117.98 117.08 2df5 s PHE 164 Ca 0.17 -0.28 0.04 0.00 0.33 0.00 0.00 56.93 57.18 2df5 s PHE 164 Cb -0.05 -0.33 -0.00 0.00 -1.31 0.00 0.00 43.02 41.33 2df5 s PHE 164 CO 0.11 -0.05 -0.14 0.42 1.83 0.00 0.00 175.22 177.40 2df5 s ILE 165 N -0.72 1.13 -0.12 3.12 1.01 0.23 -1.47 121.20 124.38 2df5 s ILE 165 Ca -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 2df5 s ILE 165 Cb -0.06 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2df5 s ILE 165 CO 0.00 0.33 -0.03 -1.00 0.00 0.00 0.00 174.94 174.24 2df5 s HIS 166 N 0.05 3.04 0.11 3.97 3.76 0.02 -0.56 115.29 125.68 2df5 s HIS 166 Ca -0.02 -0.08 0.09 0.00 -0.15 0.00 0.00 55.06 54.90 2df5 s HIS 166 Cb -0.09 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 2df5 s HIS 166 CO 0.01 0.19 -0.21 0.14 -0.85 0.00 0.00 174.74 174.03 2df5 s VAL 167 N -0.26 2.64 1.13 -0.90 -7.23 -0.24 -1.78 120.40 113.77 2df5 s VAL 167 Ca 0.05 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 2df5 s VAL 167 Cb -0.13 -2.18 0.26 0.00 0.56 0.00 0.00 36.38 34.89 2df5 s VAL 167 CO 0.02 0.13 1.16 -2.84 -0.31 0.00 0.00 175.10 173.27 2df5 s PRO 168 N -2.01 -0.65 0.87 4.82 0.02 -1.26 -1.19 135.00 135.60 2df5 s PRO 168 Ca 0.16 -0.12 -0.10 0.00 0.02 0.00 0.00 61.00 60.96 2df5 s PRO 168 Cb -0.10 -1.67 0.12 0.00 0.02 0.00 0.00 34.50 32.86 2df5 s PRO 168 CO 0.08 -3.32 1.12 0.71 -0.33 0.00 0.00 177.00 175.26 2df5 s TYR 169 N -3.23 2.01 0.13 6.54 2.02 -1.26 -4.71 117.35 118.85 2df5 s TYR 169 Ca 0.71 1.66 0.02 0.00 -0.37 0.00 0.00 57.07 59.09 2df5 s TYR 169 Cb -0.09 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 2df5 s TYR 169 CO 0.55 -2.44 0.26 0.96 -1.57 0.00 0.00 175.55 173.31 2df5 s ILE 170 N -2.76 5.28 0.17 2.71 -4.36 -1.26 -0.64 121.20 120.34 2df5 s ILE 170 Ca 0.64 -0.65 -0.29 0.00 -0.26 0.00 0.00 60.65 60.09 2df5 s ILE 170 Cb -0.20 -3.68 -0.04 0.00 1.25 0.00 0.00 42.46 39.79 2df5 s ILE 170 CO 0.57 -0.04 1.54 -0.65 0.24 0.00 0.00 174.94 176.61 2df5 h PRO 171 N 2.37 -0.02 -0.18 0.37 0.11 -1.92 -0.46 132.00 132.26 2df5 h PRO 171 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 2df5 h PRO 171 Cb 1.19 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2df5 h PRO 171 CO 0.70 -0.01 0.59 1.05 -0.21 0.00 0.00 178.00 180.11 2df5 h GLU 172 N -0.02 0.00 0.00 1.05 4.11 -1.96 0.22 114.58 117.98 2df5 h GLU 172 Ca 0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.55 2df5 h GLU 172 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2df5 h GLU 172 CO -0.93 0.00 -0.33 1.96 0.07 0.00 0.00 179.01 179.78 2df5 h GLN 173 N 0.00 0.00 0.00 1.06 4.20 -1.47 -3.29 115.11 115.61 2df5 h GLN 173 Ca 0.09 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 2df5 h GLN 173 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2df5 h GLN 173 CO -0.00 0.23 -0.51 0.82 -0.67 0.00 0.00 178.83 178.70 2df5 h ILE 174 N 0.00 0.92 -0.86 2.54 1.08 -0.63 -3.38 117.51 117.19 2df5 h ILE 174 Ca -0.01 -2.16 0.13 0.00 -0.39 0.00 0.00 64.86 62.43 2df5 h ILE 174 Cb 1.19 2.36 -0.14 0.00 -3.07 0.00 0.00 36.82 37.16 2df5 h ILE 174 CO 0.03 0.50 -0.39 0.40 -0.69 0.00 0.00 178.15 178.00 2df5 h ILE 175 N 0.00 0.05 0.00 -0.67 1.08 -1.63 0.45 117.51 116.80 2df5 h ILE 175 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2df5 h ILE 175 Cb 1.31 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 2df5 h ILE 175 CO 0.07 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 176.63 2df5 n ASP 176 N -5.45 0.00 0.03 1.72 3.85 -1.26 -3.04 116.55 112.40 2df5 n ASP 176 Ca 0.08 -0.31 -0.13 0.00 -0.71 0.00 0.00 54.79 53.72 2df5 n ASP 176 Cb 0.38 -0.22 -0.14 0.00 -1.35 0.00 0.00 41.12 39.79 2df5 n ASP 176 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 2df5 h LYS 177 N 0.00 0.13 -0.90 0.11 1.79 -0.34 -3.36 116.57 114.00 2df5 h LYS 177 Ca 0.00 -0.23 0.17 0.00 -2.18 0.00 0.00 60.65 58.42 2df5 h LYS 177 Cb 0.22 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.85 2df5 h LYS 177 CO 0.00 0.91 0.48 0.82 -1.08 0.00 0.00 179.45 180.57 2df5 h ILE 178 N 0.04 0.67 0.48 1.86 2.04 -1.21 -3.00 117.51 118.39 2df5 h ILE 178 Ca -0.24 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2df5 h ILE 178 Cb 1.98 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 2df5 h ILE 178 CO 0.12 0.11 -0.30 1.23 0.00 0.00 0.00 178.15 179.31 2df5 h GLY 179 N 0.62 -0.94 -4.57 5.37 0.00 -1.74 -3.44 103.07 98.36 2df5 h GLY 179 Ca 0.52 0.39 -0.59 0.00 0.00 0.00 0.00 47.33 47.65 2df5 h GLY 179 CO -0.40 -0.32 -0.18 0.54 0.00 0.00 0.00 176.54 176.17 2df5 s LYS 180 N -4.77 3.87 6.00 4.80 3.01 -1.13 -4.95 119.74 126.58 2df5 s LYS 180 Ca -0.12 0.34 0.00 0.00 -1.01 0.00 0.00 55.97 55.18 2df5 s LYS 180 Cb 0.02 -3.05 0.00 0.00 -1.01 0.00 0.00 37.83 33.79 2df5 s LYS 180 CO 0.36 0.58 0.00 0.41 0.51 0.00 0.00 175.35 177.21 2df5 n GLY 181 N 1.14 2.39 0.90 -3.33 0.00 -1.26 -4.84 105.19 100.19 2df5 n GLY 181 Ca -0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 2df5 n GLY 181 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2df5 n GLN 182 N 13.44 1.23 -3.74 1.61 7.27 -1.26 -5.00 117.38 130.93 2df5 n GLN 182 Ca 0.00 -0.80 -0.37 0.00 0.07 0.00 0.00 57.00 55.90 2df5 n GLN 182 Cb 0.00 0.06 -0.12 0.00 2.41 0.00 0.00 30.24 32.60 2df5 n GLN 182 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2df5 s VAL 183 N -0.50 3.59 0.56 1.69 1.01 -1.26 -4.47 120.40 121.01 2df5 s VAL 183 Ca 0.09 -1.60 -0.18 0.00 0.00 0.00 0.00 61.98 60.28 2df5 s VAL 183 Cb -0.01 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2df5 s VAL 183 CO 0.05 -0.45 1.09 -2.16 0.00 0.00 0.00 175.10 173.63 2df5 s PRO 184 N 1.29 3.37 0.84 2.72 0.04 -1.26 -5.02 135.00 136.97 2df5 s PRO 184 Ca 0.03 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 2df5 s PRO 184 Cb -0.22 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.40 2df5 s PRO 184 CO -0.01 -0.81 1.14 -2.14 0.04 0.00 0.00 177.00 175.23 2df5 s PRO 185 N -3.55 1.60 0.32 0.56 0.02 -1.26 -4.97 135.00 127.71 2df5 s PRO 185 Ca 0.69 1.47 -0.08 0.00 0.02 0.00 0.00 61.00 63.10 2df5 s PRO 185 Cb -0.20 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.53 2df5 s PRO 185 CO 0.29 -2.19 0.52 -1.54 -0.33 0.00 0.00 177.00 173.75 2df5 s SER 186 N -2.77 0.45 -0.18 2.53 1.04 -1.26 -4.14 113.70 109.37 2df5 s SER 186 Ca 0.66 -1.26 -0.10 0.00 0.48 0.00 0.00 55.95 55.73 2df5 s SER 186 Cb -0.22 0.66 0.06 0.00 0.10 0.00 0.00 66.02 66.62 2df5 s SER 186 CO 0.55 -1.30 0.43 -0.32 0.98 0.00 0.00 173.24 173.58 2df5 s MET 187 N -3.26 0.42 0.38 4.02 1.75 0.19 -4.90 119.30 117.91 2df5 s MET 187 Ca 0.26 0.81 -0.27 0.00 -1.25 0.00 0.00 55.69 55.24 2df5 s MET 187 Cb -0.01 0.00 -0.11 0.00 2.84 0.00 0.00 34.83 37.55 2df5 s MET 187 CO 0.15 -0.15 1.25 0.00 -0.65 0.00 0.00 175.02 175.62 2df5 h TYR 189 N 2.24 0.28 -0.85 0.00 3.20 -1.97 -1.72 116.97 118.17 2df5 h TYR 189 Ca -0.47 0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.57 2df5 h TYR 189 Cb 1.29 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.47 2df5 h TYR 189 CO 0.49 -0.07 0.46 0.93 -1.64 0.00 0.00 178.16 178.32 2df5 h GLU 190 N 0.28 0.69 -0.28 1.82 3.07 -1.99 0.17 114.58 118.33 2df5 h GLU 190 Ca 0.41 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 59.06 2df5 h GLU 190 Cb 0.69 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2df5 h GLU 190 CO -0.50 0.46 -0.49 1.98 -1.40 0.00 0.00 179.01 179.06 2df5 h MET 191 N 0.71 0.76 -0.52 2.33 4.05 -1.68 -1.43 114.93 119.16 2df5 h MET 191 Ca 0.44 -0.45 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 2df5 h MET 191 Cb 0.53 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2df5 h MET 191 CO -0.31 1.08 -0.06 0.93 0.23 0.00 0.00 176.91 178.77 2df5 h GLU 192 N 0.60 0.96 -0.43 0.39 5.08 -0.91 -0.13 114.58 120.13 2df5 h GLU 192 Ca 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2df5 h GLU 192 Cb 1.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2df5 h GLU 192 CO 0.10 1.00 0.23 1.25 -1.00 0.00 0.00 179.01 180.60 2df5 h LEU 193 N 0.82 0.54 -0.69 1.33 5.85 -0.61 -2.48 115.31 120.07 2df5 h LEU 193 Ca 0.14 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2df5 h LEU 193 Cb 0.61 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2df5 h LEU 193 CO 0.04 0.48 0.38 -0.08 -0.34 0.00 0.00 178.44 178.91 2df5 h GLU 194 N 0.56 0.95 -0.44 1.25 4.57 -1.07 -2.13 114.58 118.28 2df5 h GLU 194 Ca 0.15 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 2df5 h GLU 194 Cb 0.06 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2df5 h GLU 194 CO -0.02 0.71 0.21 0.00 -1.18 0.00 0.00 179.01 178.73 2df5 h ALA 195 N 1.19 0.54 -0.56 2.92 0.00 -0.74 0.12 119.26 122.74 2df5 h ALA 195 Ca 0.24 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2df5 h ALA 195 Cb 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2df5 h ALA 195 CO -0.04 -0.15 0.06 0.28 0.00 0.00 0.00 179.25 179.40 2df5 h VAL 196 N 0.42 1.26 -0.62 0.00 2.07 -1.23 -0.91 116.25 117.24 2df5 h VAL 196 Ca 0.19 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2df5 h VAL 196 Cb 0.11 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2df5 h VAL 196 CO -0.14 0.37 0.33 0.50 0.02 0.00 0.00 177.57 178.64 2df5 h LYS 197 N 0.83 0.87 -0.36 1.57 3.64 -0.99 -1.83 116.57 120.29 2df5 h LYS 197 Ca 0.16 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 2df5 h LYS 197 Cb 0.45 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2df5 h LYS 197 CO 0.02 0.67 0.13 0.28 -2.27 0.00 0.00 179.45 178.28 2df5 h VAL 198 N 0.85 0.89 -0.57 2.00 2.07 -0.38 -1.23 116.25 119.87 2df5 h VAL 198 Ca 0.22 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.72 2df5 h VAL 198 Cb 0.06 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2df5 h VAL 198 CO -0.03 0.05 0.22 0.00 0.02 0.00 0.00 177.57 177.83 2df5 h ALA 199 N 1.23 0.73 -0.10 1.67 0.00 -0.73 0.11 119.26 122.17 2df5 h ALA 199 Ca 0.17 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2df5 h ALA 199 Cb 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2df5 h ALA 199 CO -0.17 -0.18 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 2df5 h ILE 200 N 0.41 0.88 -0.34 0.00 2.04 -0.65 0.17 117.51 120.01 2df5 h ILE 200 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 2df5 h ILE 200 Cb 0.32 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 2df5 h ILE 200 CO -0.28 0.00 0.03 -0.33 0.00 0.00 0.00 178.15 177.58 2df5 h GLU 201 N -0.01 0.13 -0.81 2.37 5.08 -0.26 0.24 114.58 121.32 2df5 h GLU 201 Ca 0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2df5 h GLU 201 Cb 0.09 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2df5 h GLU 201 CO -0.11 0.09 0.34 0.28 -1.00 0.00 0.00 179.01 178.61 2df5 h VAL 202 N 0.14 1.26 -0.03 3.13 2.07 -0.50 -1.16 116.25 121.16 2df5 h VAL 202 Ca 0.16 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2df5 h VAL 202 Cb 0.21 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2df5 h VAL 202 CO -0.25 0.33 0.02 0.00 0.02 0.00 0.00 177.57 177.69 2df5 h ALA 203 N 1.18 0.04 -1.00 1.67 0.00 0.44 -1.35 119.26 120.24 2df5 h ALA 203 Ca 0.27 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.24 2df5 h ALA 203 Cb 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2df5 h ALA 203 CO -0.03 -0.44 0.65 -0.07 0.00 0.00 0.00 179.25 179.36 2df5 h LEU 204 N 0.01 1.02 -0.39 0.00 3.38 -0.31 -0.80 115.31 118.23 2df5 h LEU 204 Ca 0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2df5 h LEU 204 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2df5 h LEU 204 CO -0.00 0.64 0.09 0.74 0.09 0.00 0.00 178.44 179.99 2df5 h THR 205 N 1.15 1.23 -0.28 0.22 2.02 -0.79 -2.75 112.91 113.71 2df5 h THR 205 Ca 0.44 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 2df5 h THR 205 Cb 0.21 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2df5 h THR 205 CO -0.18 0.27 -0.14 -0.61 0.37 0.00 0.00 175.52 175.23 2df5 h GLN 206 N 0.48 0.48 -0.77 6.66 5.75 -0.68 -2.89 115.11 124.15 2df5 h GLN 206 Ca 0.12 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2df5 h GLN 206 Cb 0.32 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.77 2df5 h GLN 206 CO 0.00 0.61 0.47 0.22 -2.65 0.00 0.00 178.83 177.49 2df5 h ASP 207 N 0.44 0.75 0.20 -0.69 1.82 -0.88 -2.36 116.42 115.71 2df5 h ASP 207 Ca 0.08 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2df5 h ASP 207 Cb 0.51 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2df5 h ASP 207 CO 0.03 0.50 -0.10 0.24 -1.61 0.00 0.00 179.24 178.31 2df5 h MET 208 N 0.89 -0.26 -0.90 0.28 2.86 -1.31 -2.16 114.93 114.33 2df5 h MET 208 Ca 0.32 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 58.17 2df5 h MET 208 Cb 0.10 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.75 2df5 h MET 208 CO -0.14 -0.13 0.59 0.82 1.06 0.00 0.00 176.91 179.10 2df5 h ILE 209 N -0.32 0.70 -0.09 -1.22 5.03 -1.46 0.43 117.51 120.59 2df5 h ILE 209 Ca -0.03 -0.16 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 2df5 h ILE 209 Cb 0.25 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 34.24 2df5 h ILE 209 CO 0.05 0.08 -0.02 0.78 -0.68 0.00 0.00 178.15 178.36 2df5 h ASN 210 N 0.46 0.17 1.20 1.72 2.35 -1.01 -3.07 115.58 117.40 2df5 h ASN 210 Ca 0.47 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2df5 h ASN 210 Cb 1.09 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2df5 h ASN 210 CO -0.19 0.51 0.00 0.29 -1.65 0.00 0.00 177.43 176.39 2df5 n LYS 211 N -4.78 0.18 -3.62 0.81 5.02 -0.55 -4.41 118.16 110.82 2df5 n LYS 211 Ca -0.07 0.21 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 2df5 n LYS 211 Cb 0.24 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 2df5 n LYS 211 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2df5 s SER 212 N -4.09 5.61 0.00 4.39 0.15 0.14 -5.09 113.70 114.81 2df5 s SER 212 Ca 0.10 -2.84 0.00 0.00 0.70 0.00 0.00 55.95 53.91 2df5 s SER 212 Cb 0.13 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2df5 s SER 212 CO 0.53 -0.41 0.00 0.41 1.20 0.00 0.00 173.24 174.97