#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 2.20 -0.10 0.03 1.02 -1.26 -1.04 119.74 120.60 2df5 s LYS 2 Ca 0.00 -0.55 -0.02 0.00 0.02 0.00 0.00 55.97 55.42 2df5 s LYS 2 Cb 0.00 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 2df5 s LYS 2 CO 0.00 -0.08 -0.01 0.08 -0.92 0.00 0.00 175.35 174.41 2df5 s VAL 3 N 1.05 4.16 -0.13 3.17 1.01 0.12 -0.33 120.40 129.44 2df5 s VAL 3 Ca -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2df5 s VAL 3 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2df5 s VAL 3 CO -0.03 0.58 -0.13 -0.22 0.00 0.00 0.00 175.10 175.31 2df5 s LEU 4 N -0.58 2.75 -0.08 3.92 0.20 0.15 0.14 118.68 125.18 2df5 s LEU 4 Ca 0.09 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.62 2df5 s LEU 4 Cb -0.12 -1.62 0.02 0.00 -0.43 0.00 0.00 46.19 44.04 2df5 s LEU 4 CO 0.02 0.17 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.45 2df5 s VAL 5 N 0.35 1.10 0.26 1.68 1.01 0.54 -0.94 120.40 124.39 2df5 s VAL 5 Ca -0.11 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2df5 s VAL 5 Cb -0.16 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2df5 s VAL 5 CO 0.06 0.35 -0.16 0.42 0.00 0.00 0.00 175.10 175.77 2df5 s THR 6 N 0.89 2.11 0.31 3.92 -4.23 -1.02 -1.56 115.64 116.07 2df5 s THR 6 Ca -0.10 -2.29 0.04 0.00 -1.18 0.00 0.00 61.69 58.15 2df5 s THR 6 Cb -0.15 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 2df5 s THR 6 CO 0.01 -0.45 0.33 0.61 -0.54 0.00 0.00 174.62 174.58 2df5 n GLY 7 N -0.54 2.71 3.41 3.99 0.00 -0.85 -0.96 105.19 112.94 2df5 n GLY 7 Ca -0.06 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 43.97 2df5 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2df5 s PHE 8 N -3.18 1.99 0.80 1.61 0.40 -1.26 0.13 117.98 118.48 2df5 s PHE 8 Ca 0.33 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 2df5 s PHE 8 Cb 0.01 -0.90 0.08 0.00 0.51 0.00 0.00 43.02 42.72 2df5 s PHE 8 CO 0.24 0.53 1.16 -1.21 0.70 0.00 0.00 175.22 176.64 2df5 s GLU 9 N -3.58 2.00 0.09 0.44 2.02 -1.01 -3.39 118.70 115.28 2df5 s GLU 9 Ca 0.26 0.08 -0.33 0.00 0.02 0.00 0.00 54.97 55.00 2df5 s GLU 9 Cb -0.03 -1.97 -0.13 0.00 0.10 0.00 0.00 34.13 32.10 2df5 s GLU 9 CO 0.11 -1.55 1.70 -2.30 0.02 0.00 0.00 175.26 173.24 2df5 n PRO 10 N -3.28 2.28 0.00 0.39 -0.02 -1.26 -4.77 135.00 128.35 2df5 n PRO 10 Ca 0.08 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2df5 n PRO 10 Cb 0.61 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2df5 n PRO 10 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2df5 n PHE 11 N 4.60 0.00 -3.23 6.00 7.35 -1.26 -4.90 117.46 126.02 2df5 n PHE 11 Ca 0.19 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.91 2df5 n PHE 11 Cb 0.31 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 2df5 n PHE 11 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2df5 s GLY 12 N -0.05 -0.88 0.00 7.13 0.00 -1.26 -4.64 107.32 107.62 2df5 s GLY 12 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 44.72 46.76 2df5 s GLY 12 CO 0.00 3.37 0.00 0.61 0.00 0.00 0.00 173.10 177.08 2df5 n GLY 13 N 5.43 2.21 3.74 0.20 0.00 -1.26 -5.05 105.19 110.45 2df5 n GLY 13 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 4.26 0.28 1.61 8.01 -1.26 -4.95 118.70 126.47 2df5 s GLU 14 Ca 0.00 0.34 0.26 0.00 0.01 0.00 0.00 54.97 55.58 2df5 s GLU 14 Cb 0.00 -3.41 0.81 0.00 -4.31 0.00 0.00 34.13 27.23 2df5 s GLU 14 CO 0.00 0.25 1.75 -0.22 0.01 0.00 0.00 175.26 177.05 2df5 h LYS 15 N 6.46 0.00 -3.97 1.61 1.63 -1.97 -3.41 116.57 116.91 2df5 h LYS 15 Ca -0.42 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.26 2df5 h LYS 15 Cb 1.18 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.69 2df5 h LYS 15 CO 0.74 0.00 -0.32 0.96 -3.45 0.00 0.00 179.45 177.38 2df5 s ILE 16 N -3.21 0.02 -0.10 2.00 -4.36 -1.26 -4.87 121.20 109.42 2df5 s ILE 16 Ca 0.08 -1.56 -0.03 0.00 -0.26 0.00 0.00 60.65 58.88 2df5 s ILE 16 Cb 0.10 -2.16 0.04 0.00 1.25 0.00 0.00 42.46 41.69 2df5 s ILE 16 CO 0.56 -0.10 0.05 0.21 0.24 0.00 0.00 174.94 175.90 2df5 s ASN 17 N -3.04 1.77 0.38 4.36 3.84 -1.26 -4.72 114.94 116.27 2df5 s ASN 17 Ca 0.25 -0.25 0.09 0.00 0.21 0.00 0.00 52.86 53.16 2df5 s ASN 17 Cb 0.03 -0.28 0.84 0.00 -0.55 0.00 0.00 41.25 41.29 2df5 s ASN 17 CO 0.07 -0.27 1.93 1.55 -2.79 0.00 0.00 177.10 177.59 2df5 h PRO 18 N 8.39 0.62 0.00 0.43 0.13 -1.94 -1.82 132.00 137.82 2df5 h PRO 18 Ca -0.15 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 2df5 h PRO 18 Cb 1.13 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2df5 h PRO 18 CO 0.23 0.41 -0.06 1.79 -0.23 0.00 0.00 178.00 180.15 2df5 h THR 19 N 0.64 1.04 -0.66 1.56 1.35 -1.91 -0.98 112.91 113.95 2df5 h THR 19 Ca 0.35 -0.20 -0.07 0.00 -0.55 0.00 0.00 66.41 65.94 2df5 h THR 19 Cb 0.49 1.11 -0.03 0.00 -1.73 0.00 0.00 68.15 67.99 2df5 h THR 19 CO -0.13 0.06 0.15 -0.08 -0.25 0.00 0.00 175.52 175.27 2df5 h GLU 20 N 0.00 1.04 -0.17 4.72 4.81 -1.34 -0.27 114.58 123.37 2df5 h GLU 20 Ca -0.00 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 2df5 h GLU 20 Cb 0.10 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2df5 h GLU 20 CO 0.01 0.93 -0.26 0.00 -0.73 0.00 0.00 179.01 178.96 2df5 h ARG 21 N 0.99 0.48 -0.37 1.92 3.08 -1.30 -2.59 114.38 116.59 2df5 h ARG 21 Ca 0.21 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 60.02 2df5 h ARG 21 Cb 0.36 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2df5 h ARG 21 CO 0.00 0.88 0.10 0.82 -1.07 0.00 0.00 179.97 180.71 2df5 h ILE 22 N 0.13 0.85 -0.67 2.04 2.04 -1.01 0.32 117.51 121.21 2df5 h ILE 22 Ca 0.02 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2df5 h ILE 22 Cb 0.83 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2df5 h ILE 22 CO 0.06 0.04 0.42 0.00 0.00 0.00 0.00 178.15 178.67 2df5 h ALA 23 N 1.26 0.86 -0.39 1.87 0.00 -1.05 -1.18 119.26 120.63 2df5 h ALA 23 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2df5 h ALA 23 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2df5 h ALA 23 CO -0.20 0.20 -0.24 0.87 0.00 0.00 0.00 179.25 179.87 2df5 h LYS 24 N 0.83 0.86 -0.05 0.00 1.57 -0.97 -1.91 116.57 116.90 2df5 h LYS 24 Ca 0.26 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2df5 h LYS 24 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2df5 h LYS 24 CO -0.09 1.04 -0.43 -0.44 -0.57 0.00 0.00 179.45 178.96 2df5 h ASP 25 N 0.67 0.11 1.23 0.86 3.45 -0.11 -3.13 116.42 119.50 2df5 h ASP 25 Ca 0.08 -0.04 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 2df5 h ASP 25 Cb 0.81 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 2df5 h ASP 25 CO 0.07 0.52 -0.79 -0.07 -1.57 0.00 0.00 179.24 177.40 2df5 h LEU 26 N 0.09 0.00 -9.76 1.55 3.38 -1.20 -3.45 115.31 105.91 2df5 h LEU 26 Ca 0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.42 2df5 h LEU 26 Cb 0.79 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.64 2df5 h LEU 26 CO 0.06 0.16 0.67 -0.67 0.09 0.00 0.00 178.44 178.74 2df5 n ASP 27 N -2.87 3.20 0.00 -0.43 4.64 -0.72 -2.46 116.55 117.91 2df5 n ASP 27 Ca -0.01 1.18 0.00 0.00 -1.38 0.00 0.00 54.79 54.59 2df5 n ASP 27 Cb 0.62 -1.52 0.00 0.00 -1.04 0.00 0.00 41.12 39.18 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 1.33 2.90 3.68 0.27 0.00 -0.42 -4.85 105.19 108.10 2df5 n GLY 28 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.10 2.17 -0.01 -0.61 -4.36 -1.03 -4.79 121.20 111.47 2df5 s ILE 29 Ca 0.00 0.06 0.02 0.00 -0.26 0.00 0.00 60.65 60.47 2df5 s ILE 29 Cb 0.00 -2.54 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 2df5 s ILE 29 CO 0.00 -0.07 -0.07 -0.54 0.24 0.00 0.00 174.94 174.49 2df5 s LYS 30 N -4.95 0.63 -0.51 0.37 1.02 -1.26 -1.99 119.74 113.05 2df5 s LYS 30 Ca 0.65 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.40 2df5 s LYS 30 Cb -0.19 -0.61 0.13 0.00 -0.52 0.00 0.00 37.83 36.65 2df5 s LYS 30 CO 0.58 0.14 0.27 0.42 -0.92 0.00 0.00 175.35 175.84 2df5 s ILE 31 N -0.09 2.94 0.00 2.17 1.01 -0.62 -4.99 121.20 121.63 2df5 s ILE 31 Ca 0.02 -2.90 0.00 0.00 0.00 0.00 0.00 60.65 57.76 2df5 s ILE 31 Cb -0.04 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2df5 s ILE 31 CO -0.00 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.77 2df5 n GLY 32 N 3.59 1.47 0.01 6.18 0.00 -1.26 -2.33 105.19 112.85 2df5 n GLY 32 Ca 0.05 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 5.85 0.38 -4.74 1.61 8.00 -1.26 -4.89 116.55 121.50 2df5 n ASP 33 Ca 0.00 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.02 2df5 n ASP 33 Cb 0.00 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.96 3.36 -0.18 2.24 0.00 -0.99 -4.59 121.76 118.64 2df5 s ALA 34 Ca 0.13 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.79 2df5 s ALA 34 Cb 0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2df5 s ALA 34 CO 0.64 -0.12 0.07 -1.14 0.00 0.00 0.00 175.76 175.21 2df5 s GLN 35 N -0.62 4.00 -0.18 0.00 -0.44 -0.20 -1.58 119.66 120.63 2df5 s GLN 35 Ca 0.47 -0.32 -0.08 0.00 -2.50 0.00 0.00 55.36 52.94 2df5 s GLN 35 Cb -0.29 -3.24 -0.04 0.00 -1.64 0.00 0.00 33.01 27.80 2df5 s GLN 35 CO 0.35 0.29 0.07 0.08 0.50 0.00 0.00 175.29 176.58 2df5 s VAL 36 N 0.32 4.87 -0.15 1.34 1.01 -0.84 0.11 120.40 127.07 2df5 s VAL 36 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2df5 s VAL 36 Cb -0.12 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2df5 s VAL 36 CO -0.00 0.47 -0.12 -0.36 0.00 0.00 0.00 175.10 175.09 2df5 s PHE 37 N 0.29 2.84 -0.22 5.22 0.40 0.12 -1.30 117.98 125.34 2df5 s PHE 37 Ca 0.04 -0.71 -0.03 0.00 -0.60 0.00 0.00 56.93 55.63 2df5 s PHE 37 Cb -0.12 -1.89 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 2df5 s PHE 37 CO -0.00 -0.28 -0.05 0.20 0.70 0.00 0.00 175.22 175.79 2df5 s GLY 38 N 0.56 1.60 0.03 4.36 0.00 -1.26 -0.34 107.32 112.28 2df5 s GLY 38 Ca -0.07 -1.22 0.05 0.00 0.00 0.00 0.00 44.72 43.48 2df5 s GLY 38 CO 0.03 0.43 -0.15 0.50 0.00 0.00 0.00 173.10 173.91 2df5 s ARG 39 N 1.45 1.07 -0.19 2.90 1.81 -0.60 -4.74 118.95 120.64 2df5 s ARG 39 Ca 0.05 -0.75 -0.08 0.00 -1.72 0.00 0.00 55.73 53.23 2df5 s ARG 39 Cb -0.14 -1.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 2df5 s ARG 39 CO -0.04 0.28 0.08 0.08 -0.68 0.00 0.00 175.30 175.01 2df5 s VAL 40 N -0.74 4.87 0.01 3.52 1.01 -1.26 -2.01 120.40 125.80 2df5 s VAL 40 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2df5 s VAL 40 Cb -0.08 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2df5 s VAL 40 CO 0.01 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 175.02 2df5 s LEU 41 N 0.46 4.36 0.48 3.92 1.43 0.12 -4.94 118.68 124.52 2df5 s LEU 41 Ca 0.04 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 2df5 s LEU 41 Cb -0.12 -2.72 -0.09 0.00 0.03 0.00 0.00 46.19 43.29 2df5 s LEU 41 CO 0.00 0.23 1.02 -2.16 0.23 0.00 0.00 176.35 175.67 2df5 s PRO 42 N -2.00 3.87 -0.94 1.29 0.04 -1.26 -2.40 135.00 133.61 2df5 s PRO 42 Ca 0.29 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 2df5 s PRO 42 Cb -0.13 -2.11 0.16 0.00 0.04 0.00 0.00 34.50 32.46 2df5 s PRO 42 CO 0.19 -0.36 2.38 0.28 0.04 0.00 0.00 177.00 179.53 2df5 n VAL 43 N -1.00 4.58 -3.87 -0.36 0.31 -1.26 -4.52 118.33 112.21 2df5 n VAL 43 Ca 0.09 -4.17 -0.15 0.00 -0.01 0.00 0.00 64.34 60.09 2df5 n VAL 43 Cb 0.53 -1.73 -0.15 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.52 0.05 0.63 2.52 1.01 -1.26 -1.39 120.40 119.45 2df5 s VAL 44 Ca 0.53 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 2df5 s VAL 44 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.51 2df5 s VAL 44 CO -0.18 0.09 1.18 -0.36 0.00 0.00 0.00 175.10 175.82 2df5 s PHE 45 N 0.72 2.38 0.00 5.22 0.40 -1.26 -1.14 117.98 124.30 2df5 s PHE 45 Ca -0.06 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 2df5 s PHE 45 Cb -0.09 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.04 2df5 s PHE 45 CO -0.02 -2.14 0.00 0.41 0.70 0.00 0.00 175.22 174.17 2df5 n GLY 46 N 0.25 1.69 0.30 4.36 0.00 -1.26 -4.39 105.19 106.13 2df5 n GLY 46 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.81 -0.41 1.61 1.63 -1.95 0.54 116.57 118.79 2df5 h LYS 47 Ca 0.00 -0.17 -0.14 0.00 -0.85 0.00 0.00 60.65 59.49 2df5 h LYS 47 Cb 0.00 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 2df5 h LYS 47 CO 0.00 0.74 -0.28 0.00 -3.45 0.00 0.00 179.45 176.47 2df5 h ALA 48 N 1.34 0.72 -0.50 5.00 0.00 -1.34 -0.87 119.26 123.62 2df5 h ALA 48 Ca 0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2df5 h ALA 48 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2df5 h ALA 48 CO 0.00 0.66 0.14 -0.22 0.00 0.00 0.00 179.25 179.83 2df5 h LYS 49 N 0.76 0.79 0.41 0.00 3.64 -1.66 -0.27 116.57 120.24 2df5 h LYS 49 Ca 0.09 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2df5 h LYS 49 Cb 0.84 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2df5 h LYS 49 CO 0.07 0.76 -0.20 1.49 -2.27 0.00 0.00 179.45 179.30 2df5 h GLU 50 N 0.69 -0.53 -0.46 1.90 4.81 -0.73 -0.64 114.58 119.61 2df5 h GLU 50 Ca 0.16 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2df5 h GLU 50 Cb 0.31 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2df5 h GLU 50 CO -0.00 -0.31 0.29 0.28 -0.73 0.00 0.00 179.01 178.54 2df5 h VAL 51 N -0.64 1.07 -0.76 0.32 2.07 -1.13 -1.69 116.25 115.50 2df5 h VAL 51 Ca -0.06 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.31 2df5 h VAL 51 Cb 0.47 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2df5 h VAL 51 CO 0.09 0.11 0.47 0.25 0.02 0.00 0.00 177.57 178.50 2df5 h LEU 52 N 0.58 0.74 -0.29 2.57 5.85 -0.96 -1.10 115.31 122.70 2df5 h LEU 52 Ca 0.18 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2df5 h LEU 52 Cb -0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2df5 h LEU 52 CO -0.07 0.50 0.13 -0.33 -0.34 0.00 0.00 178.44 178.33 2df5 h GLU 53 N 0.88 0.42 -0.11 1.25 5.08 -0.56 -1.43 114.58 120.12 2df5 h GLU 53 Ca 0.32 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2df5 h GLU 53 Cb 0.09 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2df5 h GLU 53 CO -0.14 0.41 0.04 0.87 -1.00 0.00 0.00 179.01 179.19 2df5 h LYS 54 N 0.33 0.16 -0.18 2.33 1.57 -1.07 -1.23 116.57 118.48 2df5 h LYS 54 Ca 0.10 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2df5 h LYS 54 Cb 0.14 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 2df5 h LYS 54 CO -0.01 0.28 -0.12 1.15 -0.57 0.00 0.00 179.45 180.17 2df5 h THR 55 N 0.01 0.64 -0.69 -0.16 2.02 -1.13 0.31 112.91 113.91 2df5 h THR 55 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 2df5 h THR 55 Cb 0.18 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2df5 h THR 55 CO -0.00 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.16 2df5 h LEU 56 N -0.12 0.89 -0.60 2.58 3.38 -1.21 -0.85 115.31 119.37 2df5 h LEU 56 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2df5 h LEU 56 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2df5 h LEU 56 CO -0.25 0.77 0.32 -0.08 0.09 0.00 0.00 178.44 179.28 2df5 h GLU 57 N 0.96 0.85 0.15 1.13 4.57 -0.51 0.46 114.58 122.20 2df5 h GLU 57 Ca 0.24 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2df5 h GLU 57 Cb 0.10 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2df5 h GLU 57 CO -0.03 0.66 -0.07 1.49 -1.18 0.00 0.00 179.01 179.88 2df5 h GLU 58 N 0.82 -0.20 0.14 1.92 4.81 -0.12 -3.35 114.58 118.61 2df5 h GLU 58 Ca 0.21 0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.14 2df5 h GLU 58 Cb 0.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2df5 h GLU 58 CO -0.03 0.12 -1.51 0.82 -0.73 0.00 0.00 179.01 177.69 2df5 h ILE 59 N -0.54 1.19 -5.92 2.32 2.04 -1.17 -3.49 117.51 111.95 2df5 h ILE 59 Ca -0.02 -2.80 -0.36 0.00 1.00 0.00 0.00 64.86 62.68 2df5 h ILE 59 Cb 0.41 2.82 0.13 0.00 -0.74 0.00 0.00 36.82 39.44 2df5 h ILE 59 CO 0.03 0.83 -0.90 0.29 0.00 0.00 0.00 178.15 178.40 2df5 n LYS 60 N -3.51 -1.81 -1.35 2.37 5.02 0.16 -4.92 118.16 114.13 2df5 n LYS 60 Ca -0.16 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.41 2df5 n LYS 60 Cb 1.05 -4.83 0.10 0.00 -0.02 0.00 0.00 35.03 31.33 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 -5.38 2.04 0.02 1.97 0.02 -1.26 -4.88 135.00 127.52 2df5 s PRO 61 Ca 0.45 1.68 0.20 0.00 0.02 0.00 0.00 61.00 63.34 2df5 s PRO 61 Cb -0.12 -1.83 -0.19 0.00 0.02 0.00 0.00 34.50 32.38 2df5 s PRO 61 CO 0.81 -1.89 0.63 -0.25 -0.33 0.00 0.00 177.00 175.97 2df5 n ASP 62 N -2.94 0.44 -3.78 2.53 8.00 0.55 -3.97 116.55 117.37 2df5 n ASP 62 Ca 0.13 0.19 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2df5 n ASP 62 Cb 0.51 0.93 -0.14 0.00 -0.02 0.00 0.00 41.12 42.40 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 -3.12 -0.03 -0.12 0.53 1.01 -1.19 -2.41 121.20 115.87 2df5 s ILE 63 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2df5 s ILE 63 Cb 0.10 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.40 2df5 s ILE 63 CO 0.84 0.05 -0.13 0.00 0.00 0.00 0.00 174.94 175.70 2df5 s ALA 64 N 0.74 1.61 -0.25 9.38 0.00 0.15 -0.67 121.76 132.72 2df5 s ALA 64 Ca -0.06 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2df5 s ALA 64 Cb -0.08 -0.90 0.07 0.00 0.00 0.00 0.00 23.12 22.21 2df5 s ALA 64 CO -0.03 -0.25 -0.03 0.42 0.00 0.00 0.00 175.76 175.87 2df5 s ILE 65 N 1.31 1.59 -0.07 0.00 1.01 -0.12 -1.28 121.20 123.63 2df5 s ILE 65 Ca -0.01 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 2df5 s ILE 65 Cb -0.14 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 2df5 s ILE 65 CO -0.06 -0.20 0.33 -1.00 0.00 0.00 0.00 174.94 174.01 2df5 s HIS 66 N 1.35 3.63 -0.02 3.97 3.76 -0.66 -2.43 115.29 124.89 2df5 s HIS 66 Ca -0.03 0.80 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 2df5 s HIS 66 Cb -0.19 -2.24 -0.02 0.00 1.11 0.00 0.00 32.58 31.24 2df5 s HIS 66 CO -0.08 0.55 -0.25 0.08 -0.85 0.00 0.00 174.74 174.19 2df5 s VAL 67 N -0.62 1.98 0.13 -0.90 1.01 -0.13 -0.44 120.40 121.42 2df5 s VAL 67 Ca 0.20 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2df5 s VAL 67 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2df5 s VAL 67 CO 0.09 0.56 0.04 -0.83 0.00 0.00 0.00 175.10 174.96 2df5 s GLY 68 N -0.53 0.96 -0.16 4.51 0.00 -0.17 -4.16 107.32 107.78 2df5 s GLY 68 Ca 0.08 -1.46 -0.19 0.00 0.00 0.00 0.00 44.72 43.15 2df5 s GLY 68 CO -0.00 -1.38 0.51 -2.27 0.00 0.00 0.00 173.10 169.96 2df5 s LEU 69 N -3.05 4.21 -0.58 0.66 0.20 -1.26 -0.86 118.68 118.00 2df5 s LEU 69 Ca 0.22 0.77 0.03 0.00 0.69 0.00 0.00 54.13 55.85 2df5 s LEU 69 Cb 0.07 -2.73 0.14 0.00 -0.43 0.00 0.00 46.19 43.25 2df5 s LEU 69 CO 0.01 -0.10 0.34 0.00 -0.29 0.00 0.00 176.35 176.31 2df5 s ALA 70 N 1.15 3.47 0.09 5.97 0.00 -0.10 -4.87 121.76 127.47 2df5 s ALA 70 Ca 0.26 -3.42 -0.34 0.00 0.00 0.00 0.00 51.96 48.46 2df5 s ALA 70 Cb -0.15 -2.23 -0.13 0.00 0.00 0.00 0.00 23.12 20.61 2df5 s ALA 70 CO 0.10 -2.05 1.67 -2.30 0.00 0.00 0.00 175.76 173.18 2df5 n PRO 71 N 2.87 2.18 0.00 0.00 -0.02 -1.26 -1.81 135.00 136.96 2df5 n PRO 71 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2df5 n PRO 71 Cb 0.33 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.71 2.67 3.78 -1.23 0.00 -1.26 -5.03 105.19 107.83 2df5 n GLY 72 Ca 0.19 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.13 0.00 1.61 6.06 -0.75 -4.49 118.95 125.51 2df5 s ARG 73 Ca 0.00 2.54 0.17 0.00 -2.50 0.00 0.00 55.73 55.94 2df5 s ARG 73 Cb 0.00 -2.98 0.07 0.00 0.06 0.00 0.00 34.95 32.09 2df5 s ARG 73 CO 0.00 -0.51 0.97 -1.13 -2.50 0.00 0.00 175.30 172.12 2df5 n SER 74 N 0.66 2.07 -3.95 -2.12 3.41 -1.26 -4.45 113.62 107.97 2df5 n SER 74 Ca 0.02 -1.53 -0.10 0.00 -0.26 0.00 0.00 58.87 57.00 2df5 n SER 74 Cb 0.39 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.70 -0.10 0.31 7.33 0.00 -1.26 -4.86 121.76 121.48 2df5 s ALA 75 Ca 0.17 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2df5 s ALA 75 Cb 0.14 0.93 -0.10 0.00 0.00 0.00 0.00 23.12 24.09 2df5 s ALA 75 CO 0.32 -0.71 1.37 0.42 0.00 0.00 0.00 175.76 177.17 2df5 s ILE 76 N -3.98 2.62 -0.04 0.00 -1.09 -0.92 -4.48 121.20 113.31 2df5 s ILE 76 Ca 0.18 0.58 0.04 0.00 -2.23 0.00 0.00 60.65 59.22 2df5 s ILE 76 Cb 0.02 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2df5 s ILE 76 CO 0.02 0.12 -0.15 -0.94 -1.23 0.00 0.00 174.94 172.76 2df5 s SER 77 N -0.15 1.97 -0.28 3.58 1.04 -0.79 -1.43 113.70 117.64 2df5 s SER 77 Ca 0.53 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 2df5 s SER 77 Cb -0.41 -0.61 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 2df5 s SER 77 CO 0.51 0.12 0.12 -0.63 0.98 0.00 0.00 173.24 174.34 2df5 s ILE 78 N 0.16 4.55 -0.04 -1.02 1.01 -0.20 -1.13 121.20 124.53 2df5 s ILE 78 Ca -0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2df5 s ILE 78 Cb -0.12 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2df5 s ILE 78 CO 0.02 0.20 1.33 -1.61 0.00 0.00 0.00 174.94 174.88 2df5 s GLU 79 N 1.63 4.29 0.08 2.79 0.41 -0.50 -0.89 118.70 126.51 2df5 s GLU 79 Ca 0.06 1.84 0.16 0.00 -0.41 0.00 0.00 54.97 56.61 2df5 s GLU 79 Cb -0.16 -3.62 -0.12 0.00 -1.78 0.00 0.00 34.13 28.45 2df5 s GLU 79 CO 0.06 -0.56 0.90 -0.09 -0.49 0.00 0.00 175.26 175.07 2df5 h ARG 80 N 7.85 0.00 -3.14 1.61 2.43 -1.56 -3.41 114.38 118.15 2df5 h ARG 80 Ca -0.35 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.65 2df5 h ARG 80 Cb 1.16 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 30.46 2df5 h ARG 80 CO 0.91 0.34 -0.43 -1.50 -1.51 0.00 0.00 179.97 177.78 2df5 s ILE 81 N -2.90 -0.00 -0.13 1.20 2.07 -1.26 -1.79 121.20 118.38 2df5 s ILE 81 Ca -0.02 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 2df5 s ILE 81 Cb 0.09 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.30 2df5 s ILE 81 CO 0.80 0.00 -0.02 0.00 -1.91 0.00 0.00 174.94 173.81 2df5 s ALA 82 N 0.15 3.09 -0.10 1.50 0.00 0.35 -4.39 121.76 122.37 2df5 s ALA 82 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2df5 s ALA 82 Cb -0.02 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2df5 s ALA 82 CO 0.00 0.33 -0.04 0.08 0.00 0.00 0.00 175.76 176.14 2df5 s VAL 83 N -0.03 3.95 -1.14 0.00 1.01 -1.26 -0.94 120.40 121.98 2df5 s VAL 83 Ca 0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2df5 s VAL 83 Cb -0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2df5 s VAL 83 CO 0.02 0.57 2.06 -3.20 0.00 0.00 0.00 175.10 174.55 2df5 n ASN 84 N 2.60 3.30 -3.50 3.32 5.15 0.18 -4.82 115.26 121.49 2df5 n ASN 84 Ca -0.18 -2.77 -0.10 0.00 -0.60 0.00 0.00 54.58 50.93 2df5 n ASN 84 Cb 0.53 -1.43 -0.03 0.00 -0.53 0.00 0.00 39.78 38.32 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 4.34 -1.79 -0.13 5.20 0.00 -1.26 -4.16 121.76 123.96 2df5 s ALA 85 Ca 0.53 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 2df5 s ALA 85 Cb 0.13 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.65 2df5 s ALA 85 CO 0.02 -0.65 -0.01 0.42 0.00 0.00 0.00 175.76 175.54 2df5 s ILE 86 N -2.92 0.63 -0.49 0.00 1.01 0.02 -4.77 121.20 114.68 2df5 s ILE 86 Ca 0.03 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.47 2df5 s ILE 86 Cb -0.01 -0.86 0.17 0.00 0.01 0.00 0.00 42.46 41.76 2df5 s ILE 86 CO -0.08 0.13 0.37 -0.62 0.00 0.00 0.00 174.94 174.74 2df5 s ASP 87 N 1.85 2.52 0.28 3.58 3.68 -0.10 -1.49 116.67 126.99 2df5 s ASP 87 Ca 0.03 -3.20 -0.29 0.00 2.13 0.00 0.00 52.55 51.22 2df5 s ASP 87 Cb -0.14 -0.78 -0.10 0.00 -1.45 0.00 0.00 42.92 40.45 2df5 s ASP 87 CO -0.07 -0.16 1.18 0.00 0.13 0.00 0.00 175.17 176.25 2df5 s ALA 88 N -0.26 3.44 -0.71 3.66 0.00 0.23 -4.67 121.76 123.45 2df5 s ALA 88 Ca 0.29 1.02 0.13 0.00 0.00 0.00 0.00 51.96 53.40 2df5 s ALA 88 Cb -0.02 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 2df5 s ALA 88 CO -0.17 -0.34 0.59 0.54 0.00 0.00 0.00 175.76 176.38 2df5 n ARG 89 N 1.34 2.54 -3.75 0.00 1.74 -1.26 -4.71 116.66 112.56 2df5 n ARG 89 Ca 0.00 -0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.85 2df5 n ARG 89 Cb 0.44 -1.13 -0.12 0.00 -1.02 0.00 0.00 32.46 30.62 2df5 n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2df5 s ILE 90 N -2.16 -0.02 0.48 0.55 1.01 -1.26 -5.15 121.20 114.65 2df5 s ILE 90 Ca 0.06 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 2df5 s ILE 90 Cb 0.10 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 42.11 2df5 s ILE 90 CO 0.51 0.03 1.16 -2.65 0.00 0.00 0.00 174.94 173.99 2df5 n PRO 91 N 3.62 1.54 -0.77 2.79 -0.02 -1.26 -4.88 135.00 136.03 2df5 n PRO 91 Ca -0.19 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 2df5 n PRO 91 Cb 0.56 -2.29 0.16 0.00 -0.02 0.00 0.00 33.50 31.91 2df5 n PRO 91 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2df5 n ASP 92 N -0.12 -1.46 0.25 2.55 3.85 -1.20 -4.89 116.55 115.53 2df5 n ASP 92 Ca 0.09 -0.99 0.10 0.00 -0.71 0.00 0.00 54.79 53.28 2df5 n ASP 92 Cb 0.42 -0.66 0.68 0.00 -1.35 0.00 0.00 41.12 40.21 2df5 n ASP 92 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 2df5 h ASN 93 N -1.99 0.00 0.06 -1.12 -0.26 -1.49 -3.16 115.58 107.62 2df5 h ASN 93 Ca -0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.47 2df5 h ASN 93 Cb 0.82 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 2df5 h ASN 93 CO 0.18 0.00 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.19 2df5 h GLU 94 N 0.00 -0.07 0.00 0.81 4.39 -1.91 -3.49 114.58 114.30 2df5 h GLU 94 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2df5 h GLU 94 Cb 0.05 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2df5 h GLU 94 CO -0.00 -0.01 0.00 0.41 -1.16 0.00 0.00 179.01 178.25 2df5 n GLY 95 N 1.58 0.00 2.70 -3.84 0.00 -1.19 -5.15 105.19 99.27 2df5 n GLY 95 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2df5 n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2df5 s LYS 96 N 0.00 -0.07 -0.18 1.61 -2.85 -1.26 -4.92 119.74 112.06 2df5 s LYS 96 Ca 0.00 0.36 -0.05 0.00 -1.00 0.00 0.00 55.97 55.27 2df5 s LYS 96 Cb 0.00 -0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 35.28 2df5 s LYS 96 CO 0.00 -0.30 0.01 0.21 0.10 0.00 0.00 175.35 175.37 2df5 s LYS 97 N 2.00 3.74 -0.15 1.78 2.20 -1.26 -3.21 119.74 124.84 2df5 s LYS 97 Ca 0.03 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.17 2df5 s LYS 97 Cb -0.12 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 2df5 s LYS 97 CO -0.03 0.14 -0.13 0.42 -0.36 0.00 0.00 175.35 175.39 2df5 s ILE 98 N 0.67 2.91 -0.13 5.43 1.01 -1.26 -4.99 121.20 124.84 2df5 s ILE 98 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2df5 s ILE 98 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2df5 s ILE 98 CO 0.02 0.51 -0.21 -1.61 0.00 0.00 0.00 174.94 173.66 2df5 s GLU 99 N 0.65 3.11 -0.32 2.79 8.01 -1.26 0.78 118.70 132.46 2df5 s GLU 99 Ca -0.07 -0.83 -0.19 0.00 0.01 0.00 0.00 54.97 53.90 2df5 s GLU 99 Cb -0.16 -2.44 0.03 0.00 -4.31 0.00 0.00 34.13 27.26 2df5 s GLU 99 CO 0.02 0.09 0.40 -0.25 0.01 0.00 0.00 175.26 175.53 2df5 n ASP 100 N 3.79 -6.77 -3.69 -0.19 9.92 -0.55 -4.95 116.55 114.11 2df5 n ASP 100 Ca -0.19 0.40 -0.11 0.00 -0.53 0.00 0.00 54.79 54.36 2df5 n ASP 100 Cb 0.52 -3.18 -0.10 0.00 -0.64 0.00 0.00 41.12 37.73 2df5 n ASP 100 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2df5 s GLU 101 N -2.04 0.51 0.51 -1.24 2.56 -1.14 -4.96 118.70 112.90 2df5 s GLU 101 Ca 0.21 0.84 -0.21 0.00 0.00 0.00 0.00 54.97 55.81 2df5 s GLU 101 Cb -0.03 0.10 -0.06 0.00 2.00 0.00 0.00 34.13 36.13 2df5 s GLU 101 CO 0.64 -0.13 1.14 -2.14 -0.56 0.00 0.00 175.26 174.22 2df5 s PRO 102 N 1.09 3.50 -0.04 4.30 0.02 -1.26 -0.80 135.00 141.81 2df5 s PRO 102 Ca -0.07 1.67 -0.20 0.00 0.02 0.00 0.00 61.00 62.42 2df5 s PRO 102 Cb -0.06 -2.15 -0.32 0.00 0.02 0.00 0.00 34.50 31.99 2df5 s PRO 102 CO -0.10 -0.74 0.87 0.82 -0.33 0.00 0.00 177.00 177.52 2df5 h ILE 103 N 1.45 1.42 -2.95 2.83 2.04 -1.87 -3.43 117.51 117.00 2df5 h ILE 103 Ca -0.50 -2.55 -0.54 0.00 1.00 0.00 0.00 64.86 62.28 2df5 h ILE 103 Cb 1.26 3.13 -0.40 0.00 -0.74 0.00 0.00 36.82 40.06 2df5 h ILE 103 CO 0.58 0.73 -0.77 -0.69 0.00 0.00 0.00 178.15 178.00 2df5 s VAL 104 N -2.46 0.22 0.31 1.67 1.01 -1.26 -5.08 120.40 114.81 2df5 s VAL 104 Ca -0.14 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 2df5 s VAL 104 Cb 0.02 -1.12 -0.13 0.00 0.00 0.00 0.00 36.38 35.15 2df5 s VAL 104 CO 0.84 -0.63 1.35 -2.65 0.00 0.00 0.00 175.10 174.02 2df5 n PRO 105 N 5.13 2.16 0.00 2.72 -0.02 -1.26 -1.28 135.00 142.45 2df5 n PRO 105 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2df5 n PRO 105 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.29 2.97 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.74 2df5 n GLY 106 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.10 2.43 0.52 4.61 0.00 -0.40 -4.96 121.76 122.87 2df5 s ALA 107 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.19 2df5 s ALA 107 Cb 0.00 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2df5 s ALA 107 CO 0.00 -1.39 0.54 -2.30 0.00 0.00 0.00 175.76 172.61 2df5 n PRO 108 N -2.77 0.56 0.19 0.00 -0.02 -1.26 -4.86 135.00 126.84 2df5 n PRO 108 Ca 0.10 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.85 2df5 n PRO 108 Cb 0.52 -1.65 0.51 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.45 1.09 -3.25 3.45 2.02 -1.93 -3.40 112.91 111.34 2df5 h THR 109 Ca -0.44 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2df5 h THR 109 Cb 1.40 1.10 -0.13 0.00 -1.74 0.00 0.00 68.15 68.78 2df5 h THR 109 CO 0.48 0.12 0.03 0.00 0.37 0.00 0.00 175.52 176.53 2df5 s ALA 110 N -4.90 -1.17 -0.03 6.16 0.00 -1.26 -0.65 121.76 119.92 2df5 s ALA 110 Ca -0.05 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.08 2df5 s ALA 110 Cb 0.16 0.75 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2df5 s ALA 110 CO 0.70 -0.68 -0.08 0.71 0.00 0.00 0.00 175.76 176.41 2df5 s TYR 111 N -3.76 0.91 0.20 0.00 1.51 -0.12 -4.98 117.35 111.11 2df5 s TYR 111 Ca 0.02 -0.24 -0.22 0.00 -1.01 0.00 0.00 57.07 55.62 2df5 s TYR 111 Cb 0.01 -0.68 -0.08 0.00 -0.11 0.00 0.00 41.96 41.10 2df5 s TYR 111 CO -0.12 -0.12 0.75 -0.06 -1.11 0.00 0.00 175.55 174.89 2df5 s PHE 112 N 0.34 3.76 0.56 2.71 2.99 -1.26 -0.49 117.98 126.59 2df5 s PHE 112 Ca -0.05 1.50 -0.21 0.00 0.00 0.00 0.00 56.93 58.17 2df5 s PHE 112 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 43.02 40.19 2df5 s PHE 112 CO 0.01 0.41 1.29 0.45 -0.00 0.00 0.00 175.22 177.38 2df5 s SER 113 N -1.42 5.25 -0.13 1.36 0.15 -0.74 -4.92 113.70 113.25 2df5 s SER 113 Ca 0.40 2.60 0.16 0.00 0.70 0.00 0.00 55.95 59.81 2df5 s SER 113 Cb -0.19 -2.62 0.61 0.00 -1.71 0.00 0.00 66.02 62.10 2df5 s SER 113 CO 0.23 -1.57 1.52 0.35 1.20 0.00 0.00 173.24 174.98 2df5 n THR 114 N -1.23 1.97 -2.92 6.45 -2.24 -0.41 -4.97 114.28 110.94 2df5 n THR 114 Ca 0.12 -1.40 -0.30 0.00 -2.27 0.00 0.00 64.05 60.19 2df5 n THR 114 Cb 0.47 0.02 -0.03 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 -2.14 3.86 -1.26 3.22 1.43 -1.23 -4.46 118.68 118.10 2df5 s LEU 115 Ca 0.44 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2df5 s LEU 115 Cb 0.31 -3.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 2df5 s LEU 115 CO 0.17 -0.37 2.44 -2.65 0.23 0.00 0.00 176.35 176.17 2df5 n PRO 116 N -1.26 2.77 -0.32 1.29 -0.02 -1.26 -4.74 135.00 131.46 2df5 n PRO 116 Ca 0.02 -1.98 0.16 0.00 -2.02 0.00 0.00 63.50 59.68 2df5 n PRO 116 Cb 0.54 -2.78 0.35 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.49 0.46 0.07 4.25 3.07 -1.94 0.27 117.51 127.17 2df5 h ILE 117 Ca 0.65 -0.15 -0.00 0.00 1.55 0.00 0.00 64.86 66.91 2df5 h ILE 117 Cb 0.35 -0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.89 2df5 h ILE 117 CO 1.71 0.08 -0.03 0.11 -1.05 0.00 0.00 178.15 178.97 2df5 h LYS 118 N 0.43 -0.09 -0.82 0.16 1.79 -2.00 -0.82 116.57 115.22 2df5 h LYS 118 Ca 0.61 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 59.14 2df5 h LYS 118 Cb 1.20 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.81 2df5 h LYS 118 CO -0.53 0.23 0.51 0.87 -1.08 0.00 0.00 179.45 179.44 2df5 h LYS 119 N -0.41 0.90 0.14 3.15 1.79 -1.55 -1.19 116.57 119.41 2df5 h LYS 119 Ca -0.01 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2df5 h LYS 119 Cb 0.36 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2df5 h LYS 119 CO 0.02 0.60 -0.07 0.82 -1.08 0.00 0.00 179.45 179.73 2df5 h ILE 120 N 0.93 0.93 -1.00 1.86 2.04 -0.43 -1.97 117.51 119.86 2df5 h ILE 120 Ca 0.36 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 66.00 2df5 h ILE 120 Cb 0.15 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2df5 h ILE 120 CO -0.17 0.07 0.65 -0.03 0.00 0.00 0.00 178.15 178.67 2df5 h MET 121 N -0.32 1.15 -0.32 2.37 4.05 -0.80 -1.42 114.93 119.63 2df5 h MET 121 Ca -0.02 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2df5 h MET 121 Cb 0.26 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2df5 h MET 121 CO 0.03 0.76 0.15 -0.22 0.23 0.00 0.00 176.91 177.87 2df5 h LYS 122 N 1.19 0.47 -0.74 0.39 3.64 -1.05 -2.13 116.57 118.33 2df5 h LYS 122 Ca 0.43 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.68 2df5 h LYS 122 Cb 0.15 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2df5 h LYS 122 CO -0.17 0.44 0.23 -0.22 -2.27 0.00 0.00 179.45 177.46 2df5 h LYS 123 N 0.39 1.15 -0.43 1.90 1.63 -0.85 -1.67 116.57 118.69 2df5 h LYS 123 Ca 0.11 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 2df5 h LYS 123 Cb 0.13 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2df5 h LYS 123 CO -0.01 0.98 0.23 -0.07 -3.45 0.00 0.00 179.45 177.13 2df5 h LEU 124 N 1.10 0.54 -0.40 5.20 3.38 -1.17 -1.88 115.31 122.10 2df5 h LEU 124 Ca 0.24 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2df5 h LEU 124 Cb 0.31 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2df5 h LEU 124 CO -0.01 0.48 0.15 0.45 0.09 0.00 0.00 178.44 179.61 2df5 h HIS 125 N 0.56 0.28 -0.41 1.13 3.86 -1.01 0.11 115.15 119.66 2df5 h HIS 125 Ca 0.15 0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 2df5 h HIS 125 Cb 0.06 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2df5 h HIS 125 CO -0.02 0.12 0.28 0.93 0.86 0.00 0.00 177.93 180.10 2df5 h GLU 126 N 0.32 0.22 -0.13 2.45 5.08 -0.92 0.11 114.58 121.71 2df5 h GLU 126 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2df5 h GLU 126 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2df5 h GLU 126 CO -0.17 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.53 2df5 n ARG 127 N -4.47 1.51 -1.08 2.33 5.12 -0.36 -4.90 116.66 114.81 2df5 n ARG 127 Ca 0.06 -0.77 -0.01 0.00 -1.93 0.00 0.00 57.85 55.20 2df5 n ARG 127 Cb 0.32 -1.34 -0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.01 0.45 3.39 -0.13 0.00 0.39 -5.03 105.19 105.26 2df5 n GLY 128 Ca 0.15 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.04 4.34 0.17 -0.61 1.01 0.23 -4.99 121.20 119.31 2df5 s ILE 129 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 60.65 59.76 2df5 s ILE 129 Cb 0.00 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 2df5 s ILE 129 CO 0.00 0.04 1.57 -2.16 0.00 0.00 0.00 174.94 174.39 2df5 s PRO 130 N 1.56 4.21 -0.02 2.79 0.04 -1.26 -3.46 135.00 138.87 2df5 s PRO 130 Ca 0.03 2.37 -0.25 0.00 0.04 0.00 0.00 61.00 63.19 2df5 s PRO 130 Cb -0.17 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.27 2df5 s PRO 130 CO 0.05 -0.61 0.56 0.00 0.04 0.00 0.00 177.00 177.04 2df5 s ALA 131 N 1.13 -1.45 0.19 8.56 0.00 -1.26 -2.17 121.76 126.77 2df5 s ALA 131 Ca 0.70 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.48 2df5 s ALA 131 Cb -0.44 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2df5 s ALA 131 CO 0.31 -0.39 0.35 1.52 0.00 0.00 0.00 175.76 177.56 2df5 s TYR 132 N -1.57 0.40 -0.19 0.00 -0.85 -0.51 -4.96 117.35 109.67 2df5 s TYR 132 Ca -0.10 -0.75 -0.18 0.00 -0.52 0.00 0.00 57.07 55.53 2df5 s TYR 132 Cb -0.01 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.31 2df5 s TYR 132 CO 0.06 -0.81 0.49 0.42 -1.52 0.00 0.00 175.55 174.19 2df5 s ILE 133 N -3.99 5.14 0.03 -3.49 1.01 -1.26 -1.04 121.20 117.60 2df5 s ILE 133 Ca 0.20 0.91 -0.10 0.00 0.00 0.00 0.00 60.65 61.65 2df5 s ILE 133 Cb 0.02 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2df5 s ILE 133 CO 0.03 0.21 0.35 -0.55 0.00 0.00 0.00 174.94 174.99 2df5 s SER 134 N 1.06 6.63 -0.07 3.58 0.15 -0.07 -4.88 113.70 120.09 2df5 s SER 134 Ca 0.23 0.76 0.15 0.00 0.70 0.00 0.00 55.95 57.80 2df5 s SER 134 Cb -0.15 -2.17 0.51 0.00 -1.71 0.00 0.00 66.02 62.50 2df5 s SER 134 CO 0.09 0.25 1.43 0.59 1.20 0.00 0.00 173.24 176.80 2df5 n ASN 135 N 1.26 3.81 -3.61 5.45 5.03 -1.26 -1.40 115.26 124.54 2df5 n ASN 135 Ca -0.11 -2.37 -0.03 0.00 0.87 0.00 0.00 54.58 52.94 2df5 n ASN 135 Cb 0.53 -0.43 -0.05 0.00 -1.02 0.00 0.00 39.78 38.80 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 -1.18 -0.89 -0.24 6.41 0.15 -1.26 -4.73 113.70 111.96 2df5 s SER 136 Ca 0.38 1.32 0.14 0.00 0.70 0.00 0.00 55.95 58.49 2df5 s SER 136 Cb 0.25 1.72 0.78 0.00 -1.71 0.00 0.00 66.02 67.05 2df5 s SER 136 CO 0.18 -0.20 1.71 0.00 1.20 0.00 0.00 173.24 176.14 2df5 n ALA 137 N 4.71 3.81 0.00 5.45 0.00 -1.26 -5.04 120.51 128.17 2df5 n ALA 137 Ca -0.15 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.27 2df5 n ALA 137 Cb 0.54 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.40 -1.92 2.14 0.00 0.00 -1.26 -3.94 105.19 100.62 2df5 n GLY 138 Ca 0.28 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.78 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 1.31 0.00 0.99 4.77 -1.26 -4.68 117.00 118.12 2df5 n LEU 139 Ca 0.00 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 2df5 n LEU 139 Cb 0.00 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2df5 n LEU 139 CO 0.00 0.77 0.00 0.00 -1.33 0.00 0.00 177.39 176.83 2df5 n TYR 140 N -0.05 0.00 -0.00 -1.77 9.36 -1.26 -0.93 117.16 122.52 2df5 n TYR 140 Ca 0.07 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.20 2df5 n TYR 140 Cb 0.98 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 39.75 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 0.62 -0.47 2.98 3.38 -1.97 -1.80 115.31 118.05 2df5 h LEU 141 Ca 0.00 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2df5 h LEU 141 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2df5 h LEU 141 CO 0.00 1.02 0.16 0.00 0.09 0.00 0.00 178.44 179.71 2df5 h ASN 143 N 0.62 0.60 0.39 0.00 -1.24 -1.68 -2.18 115.58 112.10 2df5 h ASN 143 Ca 0.15 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 2df5 h ASN 143 Cb 0.24 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 2df5 h ASN 143 CO -0.01 0.88 -0.51 0.22 -1.29 0.00 0.00 177.43 176.73 2df5 h TYR 144 N 0.50 -1.43 -0.37 0.67 3.20 -0.79 0.75 116.97 119.50 2df5 h TYR 144 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2df5 h TYR 144 Cb 0.79 0.57 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2df5 h TYR 144 CO 0.03 -0.65 0.16 -0.39 -1.64 0.00 0.00 178.16 175.67 2df5 h VAL 145 N -0.93 1.18 -0.66 1.81 -1.51 -1.28 -1.32 116.25 113.54 2df5 h VAL 145 Ca -0.04 -0.55 0.12 0.00 -1.23 0.00 0.00 66.70 64.99 2df5 h VAL 145 Cb 0.84 0.86 -0.09 0.00 -2.13 0.00 0.00 31.29 30.77 2df5 h VAL 145 CO -0.13 0.20 0.22 -0.03 -1.23 0.00 0.00 177.57 176.61 2df5 h MET 146 N 0.46 0.37 0.10 5.19 1.85 -1.19 0.30 114.93 122.01 2df5 h MET 146 Ca 0.13 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.19 2df5 h MET 146 Cb 0.17 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.11 2df5 h MET 146 CO -0.01 0.24 -0.05 -0.92 -0.40 0.00 0.00 176.91 175.77 2df5 h TYR 147 N 0.38 -0.12 -0.78 1.39 3.20 -0.55 -1.61 116.97 118.87 2df5 h TYR 147 Ca 0.35 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.30 2df5 h TYR 147 Cb 0.50 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 2df5 h TYR 147 CO -0.19 0.15 0.45 -0.07 -1.64 0.00 0.00 178.16 176.86 2df5 h LEU 148 N -0.39 0.66 -0.49 2.82 3.38 -0.65 0.28 115.31 120.91 2df5 h LEU 148 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2df5 h LEU 148 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2df5 h LEU 148 CO 0.02 0.39 0.15 -1.28 0.09 0.00 0.00 178.44 177.82 2df5 h SER 149 N 0.78 0.72 0.43 -0.43 0.87 -0.32 0.86 113.55 116.45 2df5 h SER 149 Ca 0.37 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 2df5 h SER 149 Cb 0.29 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2df5 h SER 149 CO -0.22 0.74 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.23 2df5 h LEU 150 N 0.67 0.11 -0.24 2.23 3.38 -0.61 -2.03 115.31 118.82 2df5 h LEU 150 Ca 0.16 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2df5 h LEU 150 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2df5 h LEU 150 CO -0.00 0.61 -0.44 -0.74 0.09 0.00 0.00 178.44 177.96 2df5 h HIS 151 N 0.08 0.90 -0.39 1.13 2.76 -0.17 -2.34 115.15 117.12 2df5 h HIS 151 Ca -0.00 -0.32 0.03 0.00 -2.20 0.00 0.00 60.37 57.88 2df5 h HIS 151 Cb 0.95 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.70 2df5 h HIS 151 CO 0.01 1.10 0.19 1.25 -1.30 0.00 0.00 177.93 179.18 2df5 h HIS 152 N 0.44 0.35 0.05 5.26 -0.00 -0.66 -1.51 115.15 119.08 2df5 h HIS 152 Ca 0.01 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2df5 h HIS 152 Cb 1.04 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 2df5 h HIS 152 CO 0.08 0.18 -0.20 1.03 -0.00 0.00 0.00 177.93 179.03 2df5 h SER 153 N 0.39 -0.57 -0.07 3.26 0.87 -1.28 0.34 113.55 116.51 2df5 h SER 153 Ca 0.17 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 2df5 h SER 153 Cb 0.08 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2df5 h SER 153 CO -0.12 -0.27 -0.02 0.00 -0.53 0.00 0.00 176.83 175.89 2df5 h ALA 154 N 0.52 1.67 0.02 6.23 0.00 -1.11 0.15 119.26 126.74 2df5 h ALA 154 Ca 0.04 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 2df5 h ALA 154 Cb 0.39 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2df5 h ALA 154 CO -0.15 0.25 -2.12 0.25 0.00 0.00 0.00 179.25 177.48 2df5 n THR 155 N -4.38 1.54 0.83 0.00 -2.24 -0.60 -4.50 114.28 104.93 2df5 n THR 155 Ca -0.01 -0.77 0.08 0.00 -2.27 0.00 0.00 64.05 61.09 2df5 n THR 155 Cb 0.18 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 2df5 n THR 155 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2df5 n LYS 156 N -3.03 1.17 0.00 -0.78 4.76 0.12 -5.00 118.16 115.40 2df5 n LYS 156 Ca -0.29 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.15 2df5 n LYS 156 Cb 1.08 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.94 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 1.42 1.99 3.05 0.72 0.00 0.52 -5.01 105.19 107.87 2df5 n GLY 157 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.32 0.10 0.59 1.61 -0.85 -1.23 -4.16 117.35 111.08 2df5 s TYR 158 Ca 0.00 -0.23 -0.16 0.00 -0.52 0.00 0.00 57.07 56.16 2df5 s TYR 158 Cb 0.00 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 2df5 s TYR 158 CO 0.00 -0.23 1.07 -1.25 -1.52 0.00 0.00 175.55 173.62 2df5 s PRO 159 N -1.25 3.28 0.07 -3.49 0.04 -1.26 -3.33 135.00 129.06 2df5 s PRO 159 Ca -0.13 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 2df5 s PRO 159 Cb -0.08 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 2df5 s PRO 159 CO 0.01 -0.85 1.56 0.87 0.04 0.00 0.00 177.00 178.62 2df5 h LYS 160 N 0.53 0.18 -5.23 4.56 1.57 -1.65 -3.42 116.57 113.11 2df5 h LYS 160 Ca -0.47 -0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 57.62 2df5 h LYS 160 Cb 1.23 -0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.29 2df5 h LYS 160 CO 0.57 0.34 -0.67 -1.64 -0.57 0.00 0.00 179.45 177.48 2df5 s MET 161 N -5.33 3.63 -0.02 3.15 -1.94 -1.01 -4.90 119.30 112.88 2df5 s MET 161 Ca -0.14 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2df5 s MET 161 Cb 0.06 -2.95 0.00 0.00 2.01 0.00 0.00 34.83 33.95 2df5 s MET 161 CO 0.69 0.15 0.05 0.45 -0.01 0.00 0.00 175.02 176.36 2df5 s SER 162 N 0.60 -0.02 0.25 3.03 0.15 -1.26 0.34 113.70 116.79 2df5 s SER 162 Ca -0.02 0.03 -0.18 0.00 0.70 0.00 0.00 55.95 56.47 2df5 s SER 162 Cb -0.14 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 2df5 s SER 162 CO 0.02 -0.07 0.90 0.61 1.20 0.00 0.00 173.24 175.91 2df5 n GLY 163 N 2.82 0.77 2.97 9.45 0.00 -0.41 -1.28 105.19 119.52 2df5 n GLY 163 Ca -0.14 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.36 0.43 -0.04 1.61 2.19 -1.26 -1.65 117.98 116.90 2df5 s PHE 164 Ca 0.19 -0.23 0.02 0.00 0.33 0.00 0.00 56.93 57.24 2df5 s PHE 164 Cb -0.03 -0.27 0.01 0.00 -1.31 0.00 0.00 43.02 41.42 2df5 s PHE 164 CO 0.07 -0.05 -0.09 0.42 1.83 0.00 0.00 175.22 177.41 2df5 s ILE 165 N -0.58 0.84 -0.09 3.12 1.01 0.41 -1.42 121.20 124.49 2df5 s ILE 165 Ca -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2df5 s ILE 165 Cb -0.05 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2df5 s ILE 165 CO -0.00 0.27 0.01 -1.00 0.00 0.00 0.00 174.94 174.23 2df5 s HIS 166 N 0.45 3.19 0.10 3.97 3.76 -0.28 -1.00 115.29 125.49 2df5 s HIS 166 Ca -0.08 0.21 0.10 0.00 -0.15 0.00 0.00 55.06 55.14 2df5 s HIS 166 Cb -0.12 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2df5 s HIS 166 CO 0.01 0.48 -0.26 0.14 -0.85 0.00 0.00 174.74 174.26 2df5 s VAL 167 N -0.85 2.19 1.11 -0.90 -7.23 -0.04 -1.88 120.40 112.80 2df5 s VAL 167 Ca 0.13 -1.64 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 2df5 s VAL 167 Cb -0.11 -1.92 0.25 0.00 0.56 0.00 0.00 36.38 35.15 2df5 s VAL 167 CO 0.02 0.16 1.13 -2.84 -0.31 0.00 0.00 175.10 173.27 2df5 s PRO 168 N -1.81 -0.50 0.83 4.82 0.02 -1.26 -0.92 135.00 136.17 2df5 s PRO 168 Ca 0.13 0.04 -0.12 0.00 0.02 0.00 0.00 61.00 61.07 2df5 s PRO 168 Cb -0.10 -1.67 0.09 0.00 0.02 0.00 0.00 34.50 32.84 2df5 s PRO 168 CO 0.05 -3.26 1.16 0.71 -0.33 0.00 0.00 177.00 175.33 2df5 s TYR 169 N -3.12 1.92 0.18 6.54 2.02 -1.26 -4.70 117.35 118.93 2df5 s TYR 169 Ca 0.69 1.69 0.03 0.00 -0.37 0.00 0.00 57.07 59.11 2df5 s TYR 169 Cb -0.11 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 38.06 2df5 s TYR 169 CO 0.56 -2.59 0.32 0.96 -1.57 0.00 0.00 175.55 173.23 2df5 s ILE 170 N -2.45 5.30 0.17 2.71 -4.36 -1.26 -0.68 121.20 120.63 2df5 s ILE 170 Ca 0.69 -0.72 -0.30 0.00 -0.26 0.00 0.00 60.65 60.06 2df5 s ILE 170 Cb -0.24 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 39.66 2df5 s ILE 170 CO 0.53 -0.16 1.54 -0.65 0.24 0.00 0.00 174.94 176.44 2df5 h PRO 171 N 1.89 -0.02 -0.21 0.37 0.11 -1.92 -1.37 132.00 130.84 2df5 h PRO 171 Ca -0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.68 2df5 h PRO 171 Cb 1.20 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2df5 h PRO 171 CO 0.67 -0.02 0.38 1.05 -0.21 0.00 0.00 178.00 179.87 2df5 h GLU 172 N -0.02 0.00 0.00 1.05 4.11 -1.96 0.10 114.58 117.85 2df5 h GLU 172 Ca 0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.58 2df5 h GLU 172 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2df5 h GLU 172 CO -0.92 0.00 -0.12 1.96 0.07 0.00 0.00 179.01 179.99 2df5 h GLN 173 N 0.00 0.00 0.02 1.06 4.20 -1.64 -3.28 115.11 115.46 2df5 h GLN 173 Ca 0.10 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.60 2df5 h GLN 173 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2df5 h GLN 173 CO -0.00 0.12 -0.94 0.82 -0.67 0.00 0.00 178.83 178.17 2df5 h ILE 174 N 0.00 1.52 -0.94 2.54 1.08 -1.02 -3.37 117.51 117.33 2df5 h ILE 174 Ca -0.00 -2.76 0.20 0.00 -0.39 0.00 0.00 64.86 61.90 2df5 h ILE 174 Cb 1.04 2.57 -0.18 0.00 -3.07 0.00 0.00 36.82 37.18 2df5 h ILE 174 CO 0.02 0.80 -0.20 0.40 -0.69 0.00 0.00 178.15 178.48 2df5 h ILE 175 N 0.09 0.07 0.00 -0.67 5.03 -1.62 0.38 117.51 120.79 2df5 h ILE 175 Ca -0.05 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 2df5 h ILE 175 Cb 1.59 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.44 2df5 h ILE 175 CO 0.14 0.00 0.00 0.44 -0.68 0.00 0.00 178.15 178.05 2df5 h ASP 176 N 0.00 0.00 1.59 1.72 5.19 -1.81 -3.04 116.42 120.08 2df5 h ASP 176 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 2df5 h ASP 176 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2df5 h ASP 176 CO -0.95 0.00 -0.05 0.11 -3.12 0.00 0.00 179.24 175.23 2df5 h LYS 177 N 0.00 0.00 0.00 3.56 1.79 -0.43 -3.23 116.57 118.27 2df5 h LYS 177 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2df5 h LYS 177 Cb 0.74 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2df5 h LYS 177 CO 0.00 0.00 -0.44 0.82 -1.08 0.00 0.00 179.45 178.75 2df5 h ILE 178 N 0.00 1.19 -0.86 1.86 2.04 -1.25 -3.09 117.51 117.41 2df5 h ILE 178 Ca 0.00 -1.57 -0.48 0.00 1.00 0.00 0.00 64.86 63.81 2df5 h ILE 178 Cb 0.82 1.88 -0.19 0.00 -0.74 0.00 0.00 36.82 38.59 2df5 h ILE 178 CO 0.00 0.43 0.57 0.61 0.00 0.00 0.00 178.15 179.76 2df5 n GLY 179 N -0.07 4.68 2.00 5.37 0.00 -1.22 -4.14 105.19 111.81 2df5 n GLY 179 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.11 0.00 0.00 1.61 4.76 -1.17 -5.13 118.16 118.35 2df5 n LYS 180 Ca 0.44 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.88 2df5 n LYS 180 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 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 1.36 1.16 3.70 0.72 0.00 -1.24 -5.12 105.19 105.77 2df5 n GLY 181 Ca 0.00 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2df5 n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2df5 s GLN 182 N 3.99 4.29 -0.22 1.61 -0.44 -1.26 -4.81 119.66 122.81 2df5 s GLN 182 Ca 0.00 2.04 -0.29 0.00 -2.50 0.00 0.00 55.36 54.61 2df5 s GLN 182 Cb 0.00 -3.47 -0.02 0.00 -1.64 0.00 0.00 33.01 27.87 2df5 s GLN 182 CO 0.00 -0.55 1.55 0.54 0.50 0.00 0.00 175.29 177.33 2df5 s VAL 183 N 2.02 3.79 0.68 1.34 0.11 -1.26 -4.95 120.40 122.12 2df5 s VAL 183 Ca 0.65 0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 60.45 2df5 s VAL 183 Cb -0.34 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2df5 s VAL 183 CO 0.28 -0.30 1.12 -2.16 -3.33 0.00 0.00 175.10 170.71 2df5 s PRO 184 N 4.50 2.67 0.81 1.54 0.04 -1.26 -5.02 135.00 138.28 2df5 s PRO 184 Ca 0.68 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 2df5 s PRO 184 Cb -0.24 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2df5 s PRO 184 CO 0.27 -1.36 1.12 -2.14 0.04 0.00 0.00 177.00 174.93 2df5 s PRO 185 N -4.14 1.88 0.25 0.56 0.02 -1.26 -4.98 135.00 127.32 2df5 s PRO 185 Ca 0.67 1.34 -0.13 0.00 0.02 0.00 0.00 61.00 62.90 2df5 s PRO 185 Cb -0.21 -1.84 -0.00 0.00 0.02 0.00 0.00 34.50 32.46 2df5 s PRO 185 CO 0.43 -1.95 0.50 -1.54 -0.33 0.00 0.00 177.00 174.11 2df5 s SER 186 N -3.04 -0.07 -0.13 2.53 1.04 -1.26 -4.10 113.70 108.67 2df5 s SER 186 Ca 0.64 -0.93 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 2df5 s SER 186 Cb -0.20 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2df5 s SER 186 CO 0.55 -1.17 0.31 -0.32 0.98 0.00 0.00 173.24 173.59 2df5 s MET 187 N -3.96 0.28 0.36 4.02 1.75 0.15 -4.93 119.30 116.98 2df5 s MET 187 Ca 0.22 0.61 -0.28 0.00 -1.25 0.00 0.00 55.69 54.99 2df5 s MET 187 Cb -0.01 -0.06 -0.12 0.00 2.84 0.00 0.00 34.83 37.48 2df5 s MET 187 CO 0.09 -0.15 1.38 0.00 -0.65 0.00 0.00 175.02 175.69 2df5 h TYR 189 N 2.69 0.91 -0.81 0.00 3.20 -1.97 -1.11 116.97 119.88 2df5 h TYR 189 Ca -0.48 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.50 2df5 h TYR 189 Cb 1.27 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.22 2df5 h TYR 189 CO 0.51 0.06 0.48 0.93 -1.64 0.00 0.00 178.16 178.50 2df5 h GLU 190 N 0.56 0.83 -0.08 1.82 3.07 -1.99 0.15 114.58 118.93 2df5 h GLU 190 Ca 0.60 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 59.25 2df5 h GLU 190 Cb 1.11 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2df5 h GLU 190 CO -0.47 0.55 -0.66 1.98 -1.40 0.00 0.00 179.01 179.00 2df5 h MET 191 N 0.85 0.33 -0.31 2.33 4.05 -1.57 -2.16 114.93 118.44 2df5 h MET 191 Ca 0.37 -0.25 -0.15 0.00 -0.28 0.00 0.00 59.70 59.39 2df5 h MET 191 Cb 0.24 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 2df5 h MET 191 CO -0.20 0.87 -0.42 0.93 0.23 0.00 0.00 176.91 178.32 2df5 h GLU 192 N 0.24 0.78 -0.30 0.39 5.08 -0.91 0.36 114.58 120.22 2df5 h GLU 192 Ca -0.02 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2df5 h GLU 192 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2df5 h GLU 192 CO 0.11 1.05 0.12 1.25 -1.00 0.00 0.00 179.01 180.54 2df5 h LEU 193 N 0.64 0.41 -0.97 1.33 5.85 -0.69 -2.21 115.31 119.67 2df5 h LEU 193 Ca 0.05 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2df5 h LEU 193 Cb 0.98 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2df5 h LEU 193 CO 0.09 0.46 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.36 2df5 h GLU 194 N 0.34 0.50 -0.25 1.25 4.81 -1.26 -2.04 114.58 117.93 2df5 h GLU 194 Ca 0.10 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2df5 h GLU 194 Cb 0.17 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2df5 h GLU 194 CO -0.01 0.69 0.15 0.00 -0.73 0.00 0.00 179.01 179.10 2df5 h ALA 195 N 1.33 0.33 -0.53 2.92 0.00 -0.67 0.34 119.26 122.97 2df5 h ALA 195 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2df5 h ALA 195 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2df5 h ALA 195 CO 0.04 -0.16 0.17 0.28 0.00 0.00 0.00 179.25 179.59 2df5 h VAL 196 N 0.31 1.23 -0.72 0.00 2.07 -1.21 -1.91 116.25 116.01 2df5 h VAL 196 Ca 0.09 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2df5 h VAL 196 Cb 0.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2df5 h VAL 196 CO -0.02 0.29 0.41 0.50 0.02 0.00 0.00 177.57 178.77 2df5 h LYS 197 N 0.73 0.99 -0.39 1.57 3.64 -1.13 -2.03 116.57 119.95 2df5 h LYS 197 Ca 0.17 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2df5 h LYS 197 Cb 0.27 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2df5 h LYS 197 CO -0.01 0.71 -0.12 0.28 -2.27 0.00 0.00 179.45 178.05 2df5 h VAL 198 N 1.00 1.25 -0.77 2.00 2.07 -0.52 -1.47 116.25 119.82 2df5 h VAL 198 Ca 0.26 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2df5 h VAL 198 Cb 0.00 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 2df5 h VAL 198 CO -0.04 0.38 0.36 0.00 0.02 0.00 0.00 177.57 178.29 2df5 h ALA 199 N 1.24 1.20 -0.02 1.67 0.00 -0.67 -1.28 119.26 121.40 2df5 h ALA 199 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2df5 h ALA 199 Cb 0.57 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2df5 h ALA 199 CO 0.04 0.61 -0.00 0.82 0.00 0.00 0.00 179.25 180.71 2df5 h ILE 200 N 1.09 1.29 -0.62 0.00 2.04 -1.03 -1.13 117.51 119.15 2df5 h ILE 200 Ca 0.26 -0.86 0.11 0.00 1.00 0.00 0.00 64.86 65.38 2df5 h ILE 200 Cb 0.12 1.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 2df5 h ILE 200 CO -0.03 0.23 0.18 -0.33 0.00 0.00 0.00 178.15 178.19 2df5 h GLU 201 N -0.32 0.32 -0.39 2.37 5.08 -0.98 0.73 114.58 121.38 2df5 h GLU 201 Ca 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2df5 h GLU 201 Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2df5 h GLU 201 CO 0.00 0.21 -0.27 0.28 -1.00 0.00 0.00 179.01 178.23 2df5 h VAL 202 N 0.33 1.27 -0.70 3.13 2.07 -1.21 -0.14 116.25 121.00 2df5 h VAL 202 Ca 0.32 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2df5 h VAL 202 Cb 0.46 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2df5 h VAL 202 CO -0.37 0.47 0.35 0.00 0.02 0.00 0.00 177.57 178.04 2df5 h ALA 203 N 0.99 0.90 -0.29 1.67 0.00 -0.28 0.48 119.26 122.75 2df5 h ALA 203 Ca 0.09 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2df5 h ALA 203 Cb 0.80 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2df5 h ALA 203 CO 0.07 0.46 -0.43 -0.07 0.00 0.00 0.00 179.25 179.27 2df5 h LEU 204 N 0.98 0.88 -1.20 0.00 3.38 -0.69 -2.31 115.31 116.33 2df5 h LEU 204 Ca 0.24 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2df5 h LEU 204 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2df5 h LEU 204 CO -0.03 1.22 0.33 0.74 0.09 0.00 0.00 178.44 180.78 2df5 h THR 205 N 0.56 1.20 0.00 0.22 2.02 -0.66 -1.97 112.91 114.28 2df5 h THR 205 Ca 0.03 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 2df5 h THR 205 Cb 1.03 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2df5 h THR 205 CO 0.10 0.23 -0.55 -0.61 0.37 0.00 0.00 175.52 175.06 2df5 h GLN 206 N 0.88 0.00 0.00 6.66 -0.00 -0.84 -2.94 115.11 118.87 2df5 h GLN 206 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 2df5 h GLN 206 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.53 2df5 h GLN 206 CO -0.03 0.55 0.00 -3.47 0.00 0.00 0.00 178.83 175.87 2df5 n ASP 207 N -3.56 0.00 -0.09 -0.69 -0.08 -0.74 -2.36 116.55 109.03 2df5 n ASP 207 Ca -0.00 -0.41 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 2df5 n ASP 207 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 2df5 n ASP 207 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 2df5 n MET 208 N -1.00 0.82 0.00 -0.67 0.00 -1.11 -4.07 117.12 111.09 2df5 n MET 208 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.80 2df5 n MET 208 Cb 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 33.22 32.19 2df5 n MET 208 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2df5 n ILE 209 N -0.40 0.36 -1.61 3.17 -5.35 -0.99 -2.37 119.36 112.18 2df5 n ILE 209 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.54 2df5 n ILE 209 Cb 0.04 -0.65 0.16 0.00 -1.74 0.00 0.00 39.64 37.44 2df5 n ILE 209 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2df5 n ASN 210 N 0.74 1.69 -4.73 7.28 3.02 -1.26 -5.04 115.26 116.97 2df5 n ASN 210 Ca 0.00 -3.38 -0.38 0.00 -0.03 0.00 0.00 54.58 50.79 2df5 n ASN 210 Cb 0.19 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 2df5 n ASN 210 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2df5 s LYS 211 N -2.59 4.36 0.33 3.52 -2.85 -1.00 -5.07 119.74 116.45 2df5 s LYS 211 Ca 0.34 0.58 0.06 0.00 -1.00 0.00 0.00 55.97 55.95 2df5 s LYS 211 Cb 0.33 -3.43 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 2df5 s LYS 211 CO -0.05 0.16 0.23 -1.12 0.10 0.00 0.00 175.35 174.66 2df5 s SER 212 N 0.58 1.74 0.00 0.03 0.01 -1.26 -5.21 113.70 109.59 2df5 s SER 212 Ca 0.29 -1.70 0.08 0.00 1.31 0.00 0.00 55.95 55.93 2df5 s SER 212 Cb -0.16 0.52 0.49 0.00 0.21 0.00 0.00 66.02 67.08 2df5 s SER 212 CO 0.13 -1.01 0.94 0.41 0.41 0.00 0.00 173.24 174.12