#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x12 s LYS 2 N 0.00 1.63 -0.08 2.12 1.02 -1.26 -1.24 119.74 121.92 1x12 s LYS 2 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1x12 s LYS 2 Cb 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1x12 s LYS 2 CO 0.00 0.37 -0.20 0.08 -0.92 0.00 0.00 175.35 174.68 1x12 s VAL 3 N -0.32 1.70 -0.19 3.17 1.01 0.55 -0.63 120.40 125.70 1x12 s VAL 3 Ca 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1x12 s VAL 3 Cb -0.09 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1x12 s VAL 3 CO 0.00 0.48 -0.02 -0.22 0.00 0.00 0.00 175.10 175.34 1x12 s LEU 4 N 0.38 3.18 -0.09 3.92 2.96 0.02 0.19 118.68 129.23 1x12 s LEU 4 Ca -0.15 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1x12 s LEU 4 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1x12 s LEU 4 CO 0.06 0.09 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.27 1x12 s VAL 5 N 0.84 2.29 0.20 1.68 1.01 0.62 -0.70 120.40 126.34 1x12 s VAL 5 Ca -0.00 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.13 1x12 s VAL 5 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1x12 s VAL 5 CO 0.02 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 175.89 1x12 s THR 6 N 0.12 2.17 0.32 3.92 -4.23 -0.91 -1.20 115.64 115.83 1x12 s THR 6 Ca -0.11 -2.06 0.04 0.00 -1.18 0.00 0.00 61.69 58.38 1x12 s THR 6 Cb -0.16 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1x12 s THR 6 CO 0.06 -0.24 0.17 -0.83 -0.54 0.00 0.00 174.62 173.23 1x12 s GLY 7 N -2.82 2.18 0.20 3.99 0.00 -0.57 -0.71 107.32 109.59 1x12 s GLY 7 Ca 0.21 -1.71 0.11 0.00 0.00 0.00 0.00 44.72 43.32 1x12 s GLY 7 CO 0.09 -1.62 -0.20 -1.36 0.00 0.00 0.00 173.10 170.01 1x12 s PHE 8 N -3.52 2.37 0.90 1.90 0.40 -1.26 -0.21 117.98 118.56 1x12 s PHE 8 Ca 0.34 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 1x12 s PHE 8 Cb 0.04 -1.15 0.13 0.00 0.51 0.00 0.00 43.02 42.56 1x12 s PHE 8 CO 0.18 0.54 1.18 -1.83 0.70 0.00 0.00 175.22 175.99 1x12 s GLU 9 N -2.84 1.24 0.69 0.44 -1.05 -0.86 -3.27 118.70 113.05 1x12 s GLU 9 Ca 0.23 0.10 -0.16 0.00 -0.15 0.00 0.00 54.97 54.99 1x12 s GLU 9 Cb -0.08 -1.87 0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1x12 s GLU 9 CO 0.12 -2.09 1.21 -2.14 0.95 0.00 0.00 175.26 173.31 1x12 s PRO 10 N -5.48 2.39 0.26 -4.83 0.02 -1.26 -4.75 135.00 121.34 1x12 s PRO 10 Ca 0.65 1.80 -0.20 0.00 0.02 0.00 0.00 61.00 63.26 1x12 s PRO 10 Cb -0.12 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.57 1x12 s PRO 10 CO 0.52 -1.65 0.68 -0.59 -0.33 0.00 0.00 177.00 175.62 1x12 s PHE 11 N -1.85 -0.17 -1.81 6.54 -0.12 -1.26 -4.84 117.98 114.47 1x12 s PHE 11 Ca 0.76 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 57.39 1x12 s PHE 11 Cb -0.30 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1x12 s PHE 11 CO 0.42 -1.17 0.00 0.41 -0.05 0.00 0.00 175.22 174.83 1x12 n GLY 12 N -0.44 1.03 1.27 1.99 0.00 -1.26 -2.19 105.19 105.58 1x12 n GLY 12 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x12 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x12 n GLY 13 N -0.83 1.85 3.77 -0.02 0.00 -1.26 -5.04 105.19 103.67 1x12 n GLY 13 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1x12 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x12 s GLU 14 N -0.62 4.04 0.22 1.61 0.41 -0.93 -4.93 118.70 118.50 1x12 s GLU 14 Ca 0.00 1.99 0.09 0.00 -0.41 0.00 0.00 54.97 56.64 1x12 s GLU 14 Cb 0.00 -2.74 0.14 0.00 -1.78 0.00 0.00 34.13 29.75 1x12 s GLU 14 CO 0.00 -0.37 1.48 0.87 -0.49 0.00 0.00 175.26 176.75 1x12 h LYS 15 N 2.72 0.00 -4.67 1.61 6.56 -1.96 -3.37 116.57 117.46 1x12 h LYS 15 Ca -0.49 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 58.85 1x12 h LYS 15 Cb 1.24 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.75 1x12 h LYS 15 CO 0.63 0.76 -0.66 0.96 -2.06 0.00 0.00 179.45 179.08 1x12 s ILE 16 N -3.25 0.51 -0.17 1.86 -4.36 -1.26 -4.82 121.20 109.70 1x12 s ILE 16 Ca -0.00 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1x12 s ILE 16 Cb 0.12 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.83 1x12 s ILE 16 CO 0.78 -0.52 0.03 0.21 0.24 0.00 0.00 174.94 175.69 1x12 s ASN 17 N -3.12 2.68 0.57 4.36 3.84 -1.26 -4.74 114.94 117.28 1x12 s ASN 17 Ca 0.23 -0.69 0.27 0.00 0.21 0.00 0.00 52.86 52.87 1x12 s ASN 17 Cb 0.06 -0.58 1.56 0.00 -0.55 0.00 0.00 41.25 41.74 1x12 s ASN 17 CO 0.02 -0.28 2.05 1.55 -2.79 0.00 0.00 177.10 177.65 1x12 h PRO 18 N 8.26 0.00 0.00 0.43 0.13 -1.94 -1.37 132.00 137.51 1x12 h PRO 18 Ca -0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1x12 h PRO 18 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1x12 h PRO 18 CO 0.33 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 179.83 1x12 h THR 19 N 0.00 0.14 -0.32 1.56 1.35 -1.92 -2.29 112.91 111.43 1x12 h THR 19 Ca 0.13 -0.66 -0.06 0.00 -0.55 0.00 0.00 66.41 65.27 1x12 h THR 19 Cb 0.65 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1x12 h THR 19 CO -0.00 0.05 -0.03 -0.08 -0.25 0.00 0.00 175.52 175.21 1x12 h GLU 20 N 0.00 0.58 -0.34 4.72 4.81 -1.23 -1.96 114.58 121.17 1x12 h GLU 20 Ca -0.00 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 1x12 h GLU 20 Cb 0.57 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1x12 h GLU 20 CO 0.01 0.74 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.70 1x12 h ARG 21 N 0.37 0.67 -0.26 1.92 2.43 -1.59 -2.43 114.38 115.48 1x12 h ARG 21 Ca 0.09 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1x12 h ARG 21 Cb 0.49 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1x12 h ARG 21 CO 0.02 0.85 0.11 0.82 -1.51 0.00 0.00 179.97 180.26 1x12 h ILE 22 N 0.59 0.97 -0.21 1.20 2.04 -1.21 0.22 117.51 121.10 1x12 h ILE 22 Ca 0.08 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1x12 h ILE 22 Cb 0.71 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1x12 h ILE 22 CO 0.05 0.04 0.10 0.00 0.00 0.00 0.00 178.15 178.35 1x12 h ALA 23 N 1.15 0.25 -0.59 1.87 0.00 -1.21 -1.07 119.26 119.66 1x12 h ALA 23 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1x12 h ALA 23 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1x12 h ALA 23 CO -0.09 -0.31 0.05 0.87 0.00 0.00 0.00 179.25 179.77 1x12 h LYS 24 N 0.22 0.99 -0.18 0.00 1.57 -1.11 -1.43 116.57 116.62 1x12 h LYS 24 Ca 0.09 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1x12 h LYS 24 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1x12 h LYS 24 CO -0.06 0.94 -0.31 -0.44 -0.57 0.00 0.00 179.45 179.01 1x12 h ASP 25 N 0.92 0.37 0.83 0.86 3.45 -0.30 -3.08 116.42 119.47 1x12 h ASP 25 Ca 0.18 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1x12 h ASP 25 Cb 0.46 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1x12 h ASP 25 CO 0.02 0.67 -0.62 0.18 -1.57 0.00 0.00 179.24 177.92 1x12 n LEU 26 N -4.09 0.68 -4.72 1.55 4.77 -0.43 -4.82 117.00 109.94 1x12 n LEU 26 Ca -0.01 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 1x12 n LEU 26 Cb 0.43 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1x12 n LEU 26 CO 0.42 -0.04 1.30 -0.62 -1.33 0.00 0.00 177.39 177.12 1x12 s ASP 27 N -4.13 6.49 0.00 -1.43 3.68 -0.56 -2.41 116.67 118.32 1x12 s ASP 27 Ca 0.07 2.72 0.00 0.00 2.13 0.00 0.00 52.55 57.47 1x12 s ASP 27 Cb 0.14 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 1x12 s ASP 27 CO 0.72 -0.89 0.00 0.61 0.13 0.00 0.00 175.17 175.73 1x12 n GLY 28 N 3.87 2.16 3.85 2.66 0.00 -0.12 -4.85 105.19 112.76 1x12 n GLY 28 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1x12 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x12 s ILE 29 N -2.53 2.56 -0.01 -0.61 -4.36 -1.01 -4.80 121.20 110.43 1x12 s ILE 29 Ca 0.00 0.18 0.03 0.00 -0.26 0.00 0.00 60.65 60.60 1x12 s ILE 29 Cb 0.00 -3.07 -0.00 0.00 1.25 0.00 0.00 42.46 40.63 1x12 s ILE 29 CO 0.00 -0.24 -0.09 -0.54 0.24 0.00 0.00 174.94 174.31 1x12 s LYS 30 N -5.38 0.81 -0.34 0.37 1.02 -1.26 -1.53 119.74 113.42 1x12 s LYS 30 Ca 0.61 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.31 1x12 s LYS 30 Cb -0.12 -0.77 0.09 0.00 -0.52 0.00 0.00 37.83 36.50 1x12 s LYS 30 CO 0.52 0.17 0.06 0.42 -0.92 0.00 0.00 175.35 175.59 1x12 s ILE 31 N -0.07 2.55 0.00 2.17 1.01 -0.93 -4.96 121.20 120.97 1x12 s ILE 31 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 58.54 1x12 s ILE 31 Cb -0.05 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1x12 s ILE 31 CO -0.00 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.04 1x12 n GLY 32 N 4.38 1.15 1.42 6.18 0.00 -1.26 -2.15 105.19 114.91 1x12 n GLY 32 Ca -0.01 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.49 1x12 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x12 n ASP 33 N 5.28 4.24 -4.74 1.61 8.00 -1.26 -4.93 116.55 124.74 1x12 n ASP 33 Ca 0.00 -2.18 -0.40 0.00 0.71 0.00 0.00 54.79 52.92 1x12 n ASP 33 Cb 0.00 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1x12 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x12 s ALA 34 N -1.34 3.37 -0.14 2.24 0.00 -0.91 -4.59 121.76 120.39 1x12 s ALA 34 Ca 0.49 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 1x12 s ALA 34 Cb 0.28 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1x12 s ALA 34 CO 0.29 0.02 0.40 -1.14 0.00 0.00 0.00 175.76 175.33 1x12 s GLN 35 N 0.20 4.29 -0.14 0.00 2.00 -0.37 -2.18 119.66 123.46 1x12 s GLN 35 Ca 0.38 0.28 -0.05 0.00 -2.00 0.00 0.00 55.36 53.97 1x12 s GLN 35 Cb -0.19 -3.44 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 1x12 s GLN 35 CO 0.21 0.17 0.03 0.08 -0.50 0.00 0.00 175.29 175.28 1x12 s VAL 36 N 0.63 4.55 -0.09 1.34 1.01 -0.58 -0.33 120.40 126.92 1x12 s VAL 36 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1x12 s VAL 36 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1x12 s VAL 36 CO 0.07 0.52 -0.20 -0.36 0.00 0.00 0.00 175.10 175.14 1x12 s PHE 37 N -0.12 2.61 -0.13 5.22 0.40 0.13 -0.95 117.98 125.14 1x12 s PHE 37 Ca 0.06 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1x12 s PHE 37 Cb -0.12 -1.70 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 1x12 s PHE 37 CO 0.02 -0.22 -0.18 0.20 0.70 0.00 0.00 175.22 175.73 1x12 s GLY 38 N 0.05 1.43 0.02 4.36 0.00 -1.26 -0.28 107.32 111.65 1x12 s GLY 38 Ca -0.08 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1x12 s GLY 38 CO 0.05 -0.16 -0.07 0.50 0.00 0.00 0.00 173.10 173.42 1x12 s ARG 39 N 0.52 0.52 -0.16 2.90 1.81 -0.34 -4.75 118.95 119.46 1x12 s ARG 39 Ca -0.12 -0.49 -0.08 0.00 -1.72 0.00 0.00 55.73 53.33 1x12 s ARG 39 Cb -0.16 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 1x12 s ARG 39 CO 0.04 0.10 0.11 0.08 -0.68 0.00 0.00 175.30 174.96 1x12 s VAL 40 N -0.73 5.27 0.07 3.52 1.01 -1.26 -1.52 120.40 126.76 1x12 s VAL 40 Ca -0.03 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1x12 s VAL 40 Cb -0.06 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1x12 s VAL 40 CO 0.00 0.53 0.00 -0.76 0.00 0.00 0.00 175.10 174.87 1x12 s LEU 41 N -0.27 3.49 0.46 3.92 1.43 0.71 -4.92 118.68 123.49 1x12 s LEU 41 Ca 0.10 -0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 52.87 1x12 s LEU 41 Cb -0.12 -2.17 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 1x12 s LEU 41 CO 0.01 0.20 0.98 -2.16 0.23 0.00 0.00 176.35 175.61 1x12 s PRO 42 N -2.14 4.06 -1.21 1.29 0.04 -1.26 -2.02 135.00 133.76 1x12 s PRO 42 Ca 0.25 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1x12 s PRO 42 Cb -0.12 -2.15 0.22 0.00 0.04 0.00 0.00 34.50 32.49 1x12 s PRO 42 CO 0.17 -0.18 1.82 0.28 0.04 0.00 0.00 177.00 179.12 1x12 n VAL 43 N -0.86 4.89 -3.70 -0.36 0.31 -1.26 -4.54 118.33 112.81 1x12 n VAL 43 Ca 0.08 -4.98 -0.14 0.00 -0.01 0.00 0.00 64.34 59.28 1x12 n VAL 43 Cb 0.54 -2.18 -0.14 0.00 -0.91 0.00 0.00 33.84 31.14 1x12 n VAL 43 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x12 s VAL 44 N -1.13 -0.21 0.48 2.52 1.01 -1.26 -0.32 120.40 121.49 1x12 s VAL 44 Ca 0.39 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 1x12 s VAL 44 Cb 0.10 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 1x12 s VAL 44 CO 0.02 0.11 1.31 -0.36 0.00 0.00 0.00 175.10 176.18 1x12 s PHE 45 N 1.85 2.56 0.00 5.22 0.40 -1.26 -0.98 117.98 125.77 1x12 s PHE 45 Ca -0.03 1.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.70 1x12 s PHE 45 Cb -0.12 -3.70 0.00 0.00 0.51 0.00 0.00 43.02 39.72 1x12 s PHE 45 CO -0.07 -2.42 0.00 0.41 0.70 0.00 0.00 175.22 173.84 1x12 n GLY 46 N 0.63 2.08 0.33 4.36 0.00 -1.26 -4.52 105.19 106.81 1x12 n GLY 46 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1x12 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x12 h LYS 47 N 0.00 1.01 -0.77 1.61 3.64 -1.96 -0.81 116.57 119.29 1x12 h LYS 47 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1x12 h LYS 47 Cb 0.00 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1x12 h LYS 47 CO 0.00 0.67 0.50 0.00 -2.27 0.00 0.00 179.45 178.35 1x12 h ALA 48 N 1.39 1.42 -0.38 5.00 0.00 -1.29 -0.93 119.26 124.48 1x12 h ALA 48 Ca 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1x12 h ALA 48 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1x12 h ALA 48 CO -0.15 0.52 0.04 -0.22 0.00 0.00 0.00 179.25 179.44 1x12 h LYS 49 N 1.05 0.64 -0.01 0.00 3.64 -1.44 -0.41 116.57 120.05 1x12 h LYS 49 Ca 0.28 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1x12 h LYS 49 Cb -0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1x12 h LYS 49 CO -0.06 0.71 -0.07 0.93 -2.27 0.00 0.00 179.45 178.69 1x12 h GLU 50 N 0.47 -0.12 -0.28 1.90 5.08 -0.55 0.49 114.58 121.58 1x12 h GLU 50 Ca 0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1x12 h GLU 50 Cb 0.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x12 h GLU 50 CO 0.01 -0.08 0.16 0.28 -1.00 0.00 0.00 179.01 178.38 1x12 h VAL 51 N -0.12 1.11 -0.03 3.13 2.07 -1.13 -1.19 116.25 120.10 1x12 h VAL 51 Ca 0.03 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1x12 h VAL 51 Cb 0.16 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1x12 h VAL 51 CO -0.08 0.11 -0.04 0.25 0.02 0.00 0.00 177.57 177.83 1x12 h LEU 52 N 0.34 -0.12 -0.24 2.57 5.85 -0.84 0.16 115.31 123.03 1x12 h LEU 52 Ca 0.10 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1x12 h LEU 52 Cb 0.04 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1x12 h LEU 52 CO -0.02 -0.06 0.03 -0.33 -0.34 0.00 0.00 178.44 177.73 1x12 h GLU 53 N -0.06 0.11 -0.67 1.25 4.39 -0.80 0.33 114.58 119.14 1x12 h GLU 53 Ca 0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1x12 h GLU 53 Cb 0.10 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1x12 h GLU 53 CO -0.06 0.08 0.38 0.87 -1.16 0.00 0.00 179.01 179.11 1x12 h LYS 54 N 0.12 0.93 -0.33 2.33 1.57 -1.03 -1.16 116.57 119.00 1x12 h LYS 54 Ca 0.11 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1x12 h LYS 54 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1x12 h LYS 54 CO -0.16 0.69 0.11 1.15 -0.57 0.00 0.00 179.45 180.68 1x12 h THR 55 N 0.92 1.20 -0.74 -0.16 2.02 -0.54 0.34 112.91 115.95 1x12 h THR 55 Ca 0.24 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1x12 h THR 55 Cb 0.02 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1x12 h THR 55 CO -0.04 0.22 0.39 -0.07 0.37 0.00 0.00 175.52 176.40 1x12 h LEU 56 N 0.39 0.94 -0.57 2.58 3.38 -0.74 -0.48 115.31 120.81 1x12 h LEU 56 Ca 0.11 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1x12 h LEU 56 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1x12 h LEU 56 CO -0.00 0.78 -0.47 -0.08 0.09 0.00 0.00 178.44 178.76 1x12 h GLU 57 N 1.03 0.60 0.17 1.13 4.81 -1.05 0.39 114.58 121.66 1x12 h GLU 57 Ca 0.26 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1x12 h GLU 57 Cb 0.06 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1x12 h GLU 57 CO -0.04 0.94 -0.08 1.49 -0.73 0.00 0.00 179.01 180.59 1x12 h GLU 58 N 0.48 -0.22 0.09 1.92 4.81 -0.61 -3.36 114.58 117.70 1x12 h GLU 58 Ca 0.03 0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.96 1x12 h GLU 58 Cb 1.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1x12 h GLU 58 CO 0.09 0.12 -1.68 0.82 -0.73 0.00 0.00 179.01 177.63 1x12 h ILE 59 N -0.58 0.95 -6.05 2.32 2.04 -1.15 -3.49 117.51 111.56 1x12 h ILE 59 Ca -0.02 -2.67 -0.39 0.00 1.00 0.00 0.00 64.86 62.78 1x12 h ILE 59 Cb 0.44 2.62 0.10 0.00 -0.74 0.00 0.00 36.82 39.23 1x12 h ILE 59 CO 0.04 0.76 -0.90 0.29 0.00 0.00 0.00 178.15 178.34 1x12 n LYS 60 N -3.36 -2.17 -1.72 2.37 5.02 0.14 -4.93 118.16 113.50 1x12 n LYS 60 Ca -0.20 0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 56.32 1x12 n LYS 60 Cb 1.04 -4.69 0.06 0.00 -0.02 0.00 0.00 35.03 31.42 1x12 n LYS 60 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x12 s PRO 61 N -5.66 2.65 0.04 1.97 0.04 -1.26 -4.90 135.00 127.88 1x12 s PRO 61 Ca 0.37 1.55 0.11 0.00 0.04 0.00 0.00 61.00 63.07 1x12 s PRO 61 Cb -0.11 -1.92 -0.20 0.00 0.04 0.00 0.00 34.50 32.31 1x12 s PRO 61 CO 0.83 -1.40 0.95 -0.44 0.04 0.00 0.00 177.00 176.98 1x12 h ASP 62 N 0.09 0.00 -3.68 6.66 3.32 -1.23 -3.32 116.42 118.25 1x12 h ASP 62 Ca -0.48 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.18 1x12 h ASP 62 Cb 1.27 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.50 1x12 h ASP 62 CO 0.53 0.94 -0.77 -0.63 -1.72 0.00 0.00 179.24 177.59 1x12 s ILE 63 N -2.68 0.57 -0.13 0.35 1.01 -1.09 -0.59 121.20 118.64 1x12 s ILE 63 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1x12 s ILE 63 Cb 0.09 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 42.03 1x12 s ILE 63 CO 0.82 0.20 -0.14 0.00 0.00 0.00 0.00 174.94 175.82 1x12 s ALA 64 N 0.43 1.75 -0.27 9.38 0.00 -0.28 -0.80 121.76 131.98 1x12 s ALA 64 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1x12 s ALA 64 Cb -0.10 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.15 1x12 s ALA 64 CO 0.00 -0.25 -0.05 0.42 0.00 0.00 0.00 175.76 175.89 1x12 s ILE 65 N 1.28 1.84 -0.14 0.00 1.01 0.12 -1.96 121.20 123.35 1x12 s ILE 65 Ca -0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 60.65 58.92 1x12 s ILE 65 Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1x12 s ILE 65 CO -0.06 -0.19 0.39 -1.00 0.00 0.00 0.00 174.94 174.07 1x12 s HIS 66 N 1.22 3.49 0.04 3.97 3.76 -0.67 -2.14 115.29 124.96 1x12 s HIS 66 Ca -0.03 0.74 0.07 0.00 -0.15 0.00 0.00 55.06 55.69 1x12 s HIS 66 Cb -0.19 -2.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 1x12 s HIS 66 CO -0.07 0.20 -0.18 0.08 -0.85 0.00 0.00 174.74 173.92 1x12 s VAL 67 N 0.55 2.76 0.18 -0.90 1.01 0.11 -0.67 120.40 123.44 1x12 s VAL 67 Ca 0.21 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1x12 s VAL 67 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1x12 s VAL 67 CO 0.07 0.35 0.36 -0.83 0.00 0.00 0.00 175.10 175.06 1x12 s GLY 68 N -1.38 0.34 -0.03 4.51 0.00 -0.54 -3.99 107.32 106.23 1x12 s GLY 68 Ca 0.14 -0.72 -0.18 0.00 0.00 0.00 0.00 44.72 43.96 1x12 s GLY 68 CO 0.05 -0.67 0.50 -2.27 0.00 0.00 0.00 173.10 170.71 1x12 s LEU 69 N -2.95 4.40 -0.55 0.66 2.96 -1.26 -0.74 118.68 121.19 1x12 s LEU 69 Ca 0.16 1.00 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1x12 s LEU 69 Cb 0.02 -2.75 0.14 0.00 0.50 0.00 0.00 46.19 44.10 1x12 s LEU 69 CO 0.00 0.15 0.33 0.00 -1.32 0.00 0.00 176.35 175.51 1x12 s ALA 70 N -0.27 3.11 0.05 5.97 0.00 0.17 -4.85 121.76 125.94 1x12 s ALA 70 Ca 0.27 -3.25 -0.36 0.00 0.00 0.00 0.00 51.96 48.62 1x12 s ALA 70 Cb -0.17 -2.08 -0.15 0.00 0.00 0.00 0.00 23.12 20.72 1x12 s ALA 70 CO 0.14 -2.05 1.49 -2.30 0.00 0.00 0.00 175.76 173.04 1x12 n PRO 71 N 2.86 1.48 0.00 0.00 -0.02 -1.26 -1.82 135.00 136.24 1x12 n PRO 71 Ca 0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1x12 n PRO 71 Cb 0.34 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1x12 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x12 n GLY 72 N 3.08 3.17 3.77 -1.23 0.00 -1.26 -5.03 105.19 107.70 1x12 n GLY 72 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1x12 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x12 s ARG 73 N -0.40 4.03 0.00 1.61 0.52 -0.76 -4.53 118.95 119.42 1x12 s ARG 73 Ca 0.00 1.76 0.23 0.00 -0.52 0.00 0.00 55.73 57.20 1x12 s ARG 73 Cb 0.00 -2.61 0.11 0.00 0.52 0.00 0.00 34.95 32.97 1x12 s ARG 73 CO 0.00 -0.31 1.15 -1.13 0.02 0.00 0.00 175.30 175.02 1x12 n SER 74 N -0.03 1.24 -3.55 0.23 3.41 -1.26 -4.47 113.62 109.18 1x12 n SER 74 Ca 0.05 -1.02 -0.11 0.00 -0.26 0.00 0.00 58.87 57.54 1x12 n SER 74 Cb 0.47 0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 1x12 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x12 s ALA 75 N -2.76 -0.10 0.26 7.33 0.00 -1.26 -4.81 121.76 120.42 1x12 s ALA 75 Ca 0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1x12 s ALA 75 Cb 0.17 1.00 -0.11 0.00 0.00 0.00 0.00 23.12 24.19 1x12 s ALA 75 CO 0.70 -0.87 1.50 0.42 0.00 0.00 0.00 175.76 177.51 1x12 s ILE 76 N -3.39 2.43 -0.05 0.00 -1.09 -0.93 -4.47 121.20 113.69 1x12 s ILE 76 Ca 0.23 0.36 0.03 0.00 -2.23 0.00 0.00 60.65 59.04 1x12 s ILE 76 Cb -0.02 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1x12 s ILE 76 CO 0.13 0.06 -0.14 -0.94 -1.23 0.00 0.00 174.94 172.81 1x12 s SER 77 N 0.45 1.92 -0.26 3.58 1.04 -0.75 -1.28 113.70 118.41 1x12 s SER 77 Ca 0.61 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 1x12 s SER 77 Cb -0.44 -0.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 1x12 s SER 77 CO 0.44 0.09 0.09 -0.63 0.98 0.00 0.00 173.24 174.21 1x12 s ILE 78 N 0.34 4.43 0.00 -1.02 1.01 -0.16 -0.90 121.20 124.90 1x12 s ILE 78 Ca -0.09 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1x12 s ILE 78 Cb -0.13 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1x12 s ILE 78 CO 0.03 0.31 1.28 -1.61 0.00 0.00 0.00 174.94 174.95 1x12 s GLU 79 N 1.63 4.35 0.01 2.79 0.41 -0.30 -0.69 118.70 126.90 1x12 s GLU 79 Ca 0.06 1.82 0.02 0.00 -0.41 0.00 0.00 54.97 56.46 1x12 s GLU 79 Cb -0.15 -3.49 -0.25 0.00 -1.78 0.00 0.00 34.13 28.46 1x12 s GLU 79 CO 0.05 -0.44 0.86 -0.09 -0.49 0.00 0.00 175.26 175.15 1x12 h ARG 80 N 7.36 0.15 -3.72 1.61 2.43 -1.28 -3.41 114.38 117.52 1x12 h ARG 80 Ca -0.38 -0.26 -0.19 0.00 -0.81 0.00 0.00 59.98 58.34 1x12 h ARG 80 Cb 1.18 0.10 -0.25 0.00 -0.42 0.00 0.00 29.97 30.58 1x12 h ARG 80 CO 0.87 0.96 -0.65 -1.50 -1.51 0.00 0.00 179.97 178.13 1x12 s ILE 81 N -2.63 0.05 -0.13 1.20 2.07 -1.26 -0.94 121.20 119.56 1x12 s ILE 81 Ca -0.07 -0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1x12 s ILE 81 Cb 0.08 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1x12 s ILE 81 CO 0.84 -0.20 -0.05 0.00 -1.91 0.00 0.00 174.94 173.61 1x12 s ALA 82 N -0.62 2.98 -0.10 1.50 0.00 -0.10 -4.31 121.76 121.10 1x12 s ALA 82 Ca -0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1x12 s ALA 82 Cb -0.04 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1x12 s ALA 82 CO -0.00 0.31 -0.04 0.08 0.00 0.00 0.00 175.76 176.10 1x12 s VAL 83 N 0.07 3.90 -1.31 0.00 1.01 -1.26 -1.50 120.40 121.31 1x12 s VAL 83 Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1x12 s VAL 83 Cb -0.14 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1x12 s VAL 83 CO 0.03 0.57 2.30 -3.20 0.00 0.00 0.00 175.10 174.79 1x12 n ASN 84 N 2.64 4.59 -3.53 3.32 5.15 0.14 -4.82 115.26 122.77 1x12 n ASN 84 Ca -0.18 -2.72 -0.16 0.00 -0.60 0.00 0.00 54.58 50.92 1x12 n ASN 84 Cb 0.53 -1.49 -0.06 0.00 -0.53 0.00 0.00 39.78 38.24 1x12 n ASN 84 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x12 s ALA 85 N 3.39 -1.80 -0.10 5.20 0.00 -1.26 -3.97 121.76 123.22 1x12 s ALA 85 Ca 0.53 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.84 1x12 s ALA 85 Cb 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1x12 s ALA 85 CO -0.04 -0.38 -0.13 0.42 0.00 0.00 0.00 175.76 175.63 1x12 s ILE 86 N -1.31 1.33 -0.49 0.00 1.01 0.12 -4.77 121.20 117.10 1x12 s ILE 86 Ca -0.08 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1x12 s ILE 86 Cb -0.00 -1.24 0.18 0.00 0.01 0.00 0.00 42.46 41.42 1x12 s ILE 86 CO 0.07 0.41 0.63 -0.62 0.00 0.00 0.00 174.94 175.43 1x12 s ASP 87 N 1.01 -0.73 0.11 3.58 3.68 -0.77 -1.09 116.67 122.45 1x12 s ASP 87 Ca -0.07 -2.07 -0.31 0.00 2.13 0.00 0.00 52.55 52.23 1x12 s ASP 87 Cb -0.15 1.31 -0.07 0.00 -1.45 0.00 0.00 42.92 42.56 1x12 s ASP 87 CO -0.01 -0.08 1.31 0.00 0.13 0.00 0.00 175.17 176.52 1x12 s ALA 88 N 0.67 3.52 0.10 3.66 0.00 -0.10 -4.65 121.76 124.96 1x12 s ALA 88 Ca 0.31 1.03 0.10 0.00 0.00 0.00 0.00 51.96 53.39 1x12 s ALA 88 Cb 0.01 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1x12 s ALA 88 CO -0.09 -0.54 1.40 -0.09 0.00 0.00 0.00 175.76 176.44 1x12 h ARG 89 N 6.62 0.00 -4.97 0.00 2.43 -1.90 -3.45 114.38 113.11 1x12 h ARG 89 Ca -0.42 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.44 1x12 h ARG 89 Cb 1.21 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.61 1x12 h ARG 89 CO 0.84 0.80 -0.71 0.96 -1.51 0.00 0.00 179.97 180.35 1x12 s ILE 90 N -2.97 1.04 0.76 1.20 -4.36 -1.26 -5.15 121.20 110.46 1x12 s ILE 90 Ca 0.01 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 1x12 s ILE 90 Cb 0.10 -1.76 0.05 0.00 1.25 0.00 0.00 42.46 42.10 1x12 s ILE 90 CO 0.79 -0.75 1.09 -2.16 0.24 0.00 0.00 174.94 174.14 1x12 s PRO 91 N -3.67 2.36 0.47 0.37 0.04 -1.26 -4.78 135.00 128.53 1x12 s PRO 91 Ca 0.14 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 61.81 1x12 s PRO 91 Cb 0.03 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.73 1x12 s PRO 91 CO -0.01 -1.44 0.62 -0.40 0.04 0.00 0.00 177.00 175.81 1x12 n ASP 92 N -3.32 -0.05 0.00 6.66 3.85 0.12 -4.83 116.55 118.98 1x12 n ASP 92 Ca 0.07 -1.20 0.03 0.00 -0.71 0.00 0.00 54.79 52.98 1x12 n ASP 92 Cb 0.56 -0.48 0.17 0.00 -1.35 0.00 0.00 41.12 40.01 1x12 n ASP 92 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1x12 n ASN 93 N -3.43 0.00 -0.64 -1.12 5.03 0.56 -1.55 115.26 114.11 1x12 n ASN 93 Ca 0.08 0.29 0.08 0.00 0.87 0.00 0.00 54.58 55.89 1x12 n ASN 93 Cb 0.27 -0.36 0.20 0.00 -1.02 0.00 0.00 39.78 38.87 1x12 n ASN 93 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1x12 n GLU 94 N -1.36 2.65 -1.00 3.52 1.02 -1.26 -4.97 120.64 119.24 1x12 n GLU 94 Ca 0.03 -2.54 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 1x12 n GLU 94 Cb 0.06 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1x12 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x12 n GLY 95 N -0.45 0.46 3.64 0.62 0.00 -0.59 -5.02 105.19 103.85 1x12 n GLY 95 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1x12 n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x12 s LYS 96 N -0.15 4.13 -0.63 1.61 1.02 -1.26 -4.73 119.74 119.72 1x12 s LYS 96 Ca 0.00 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.40 1x12 s LYS 96 Cb 0.00 -3.61 0.16 0.00 -0.52 0.00 0.00 37.83 33.85 1x12 s LYS 96 CO 0.00 -0.28 0.42 0.21 -0.92 0.00 0.00 175.35 174.78 1x12 s LYS 97 N 2.06 2.39 0.09 1.68 2.20 -1.26 -0.70 119.74 126.19 1x12 s LYS 97 Ca 0.23 -2.86 -0.30 0.00 -0.36 0.00 0.00 55.97 52.68 1x12 s LYS 97 Cb -0.16 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1x12 s LYS 97 CO 0.09 -1.19 1.10 0.42 -0.36 0.00 0.00 175.35 175.42 1x12 s ILE 98 N -0.65 4.20 -0.04 5.43 1.01 -1.26 -4.87 121.20 125.01 1x12 s ILE 98 Ca 0.20 1.68 0.05 0.00 0.00 0.00 0.00 60.65 62.58 1x12 s ILE 98 Cb -0.17 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1x12 s ILE 98 CO -0.06 0.19 -0.19 -1.61 0.00 0.00 0.00 174.94 173.27 1x12 s GLU 99 N 0.55 1.82 -0.74 2.79 2.02 -1.26 -0.92 118.70 122.94 1x12 s GLU 99 Ca 0.54 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.77 1x12 s GLU 99 Cb -0.27 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.35 1x12 s GLU 99 CO 0.31 0.32 0.60 -0.25 0.02 0.00 0.00 175.26 176.26 1x12 n ASP 100 N 2.93 -4.84 -3.80 -0.19 8.00 -0.25 -4.92 116.55 113.47 1x12 n ASP 100 Ca -0.17 -0.82 -0.13 0.00 0.71 0.00 0.00 54.79 54.39 1x12 n ASP 100 Cb 0.53 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.12 39.94 1x12 n ASP 100 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1x12 s GLU 101 N -4.45 0.19 0.68 -1.24 2.12 -0.99 -4.97 118.70 110.04 1x12 s GLU 101 Ca 0.08 0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.55 1x12 s GLU 101 Cb -0.01 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1x12 s GLU 101 CO 0.88 -0.05 1.07 -1.25 -0.54 0.00 0.00 175.26 175.37 1x12 s PRO 102 N 0.27 2.92 -0.09 4.30 0.04 -1.26 0.16 135.00 141.33 1x12 s PRO 102 Ca -0.01 1.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 1x12 s PRO 102 Cb -0.03 -1.98 -0.29 0.00 0.04 0.00 0.00 34.50 32.24 1x12 s PRO 102 CO -0.01 -1.12 0.74 0.82 0.04 0.00 0.00 177.00 177.47 1x12 h ILE 103 N -0.47 1.39 -3.20 0.56 2.04 -1.86 -3.44 117.51 112.53 1x12 h ILE 103 Ca -0.45 -2.45 -0.57 0.00 1.00 0.00 0.00 64.86 62.39 1x12 h ILE 103 Cb 1.22 3.04 -0.40 0.00 -0.74 0.00 0.00 36.82 39.94 1x12 h ILE 103 CO 0.56 0.67 -0.76 -0.69 0.00 0.00 0.00 178.15 177.93 1x12 s VAL 104 N -2.41 0.83 0.19 1.67 1.01 -1.26 -5.07 120.40 115.36 1x12 s VAL 104 Ca -0.17 -1.21 -0.33 0.00 0.00 0.00 0.00 61.98 60.27 1x12 s VAL 104 Cb 0.02 -1.54 -0.14 0.00 0.00 0.00 0.00 36.38 34.72 1x12 s VAL 104 CO 0.78 -0.55 1.42 -2.65 0.00 0.00 0.00 175.10 174.10 1x12 n PRO 105 N 4.89 1.86 0.00 2.72 -0.02 -1.26 -1.55 135.00 141.63 1x12 n PRO 105 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1x12 n PRO 105 Cb 0.43 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1x12 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x12 n GLY 106 N 2.54 2.71 3.88 -1.23 0.00 -1.26 -5.02 105.19 106.81 1x12 n GLY 106 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1x12 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x12 s ALA 107 N -2.28 2.79 0.46 4.61 0.00 -0.60 -4.99 121.76 121.75 1x12 s ALA 107 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1x12 s ALA 107 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1x12 s ALA 107 CO 0.00 -1.33 0.95 -2.30 0.00 0.00 0.00 175.76 173.08 1x12 n PRO 108 N -3.12 1.18 0.22 0.00 -0.02 -1.26 -4.86 135.00 127.14 1x12 n PRO 108 Ca 0.07 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1x12 n PRO 108 Cb 0.58 -2.02 0.72 0.00 -0.02 0.00 0.00 33.50 32.76 1x12 n PRO 108 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1x12 h THR 109 N 1.23 0.83 -2.75 3.45 2.02 -1.94 -3.40 112.91 112.34 1x12 h THR 109 Ca -0.45 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.78 1x12 h THR 109 Cb 1.35 0.95 -0.11 0.00 -1.74 0.00 0.00 68.15 68.60 1x12 h THR 109 CO 0.55 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.75 1x12 s ALA 110 N -4.94 -1.59 -0.01 6.16 0.00 -1.26 -0.68 121.76 119.43 1x12 s ALA 110 Ca -0.05 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1x12 s ALA 110 Cb 0.17 0.74 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1x12 s ALA 110 CO 0.65 -0.83 -0.07 0.71 0.00 0.00 0.00 175.76 176.22 1x12 s TYR 111 N -3.58 0.66 0.24 0.00 1.51 -0.56 -4.99 117.35 110.63 1x12 s TYR 111 Ca 0.05 -0.14 -0.21 0.00 -1.01 0.00 0.00 57.07 55.76 1x12 s TYR 111 Cb -0.02 -0.46 -0.09 0.00 -0.11 0.00 0.00 41.96 41.28 1x12 s TYR 111 CO -0.07 -0.05 0.78 -0.06 -1.11 0.00 0.00 175.55 175.04 1x12 s PHE 112 N 0.07 3.67 0.48 2.71 2.99 -1.26 -0.92 117.98 125.71 1x12 s PHE 112 Ca -0.01 1.49 -0.24 0.00 0.00 0.00 0.00 56.93 58.18 1x12 s PHE 112 Cb -0.05 -2.70 -0.07 0.00 0.00 0.00 0.00 43.02 40.20 1x12 s PHE 112 CO -0.00 0.31 1.37 0.45 -0.00 0.00 0.00 175.22 177.35 1x12 s SER 113 N -1.62 5.73 0.00 1.36 0.15 -0.12 -4.90 113.70 114.30 1x12 s SER 113 Ca 0.44 2.79 0.20 0.00 0.70 0.00 0.00 55.95 60.08 1x12 s SER 113 Cb -0.17 -2.64 0.55 0.00 -1.71 0.00 0.00 66.02 62.04 1x12 s SER 113 CO 0.22 -1.26 1.46 0.35 1.20 0.00 0.00 173.24 175.20 1x12 n THR 114 N -0.47 0.96 -2.49 6.45 -2.24 -0.38 -4.94 114.28 111.18 1x12 n THR 114 Ca 0.07 -0.98 -0.32 0.00 -2.27 0.00 0.00 64.05 60.54 1x12 n THR 114 Cb 0.44 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1x12 n THR 114 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1x12 s LEU 115 N -1.02 3.69 -1.42 3.22 1.43 -1.22 -4.53 118.68 118.82 1x12 s LEU 115 Ca 0.42 1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 1x12 s LEU 115 Cb 0.22 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.99 1x12 s LEU 115 CO 0.29 -0.54 2.10 -0.81 0.23 0.00 0.00 176.35 177.62 1x12 n PRO 116 N -1.40 2.94 -0.31 1.29 -0.04 -1.26 -4.78 135.00 131.44 1x12 n PRO 116 Ca 0.07 -2.78 0.06 0.00 -0.04 0.00 0.00 63.50 60.81 1x12 n PRO 116 Cb 0.54 -3.34 0.22 0.00 -0.04 0.00 0.00 33.50 30.87 1x12 n PRO 116 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1x12 h ILE 117 N 4.40 0.83 -0.45 0.52 3.07 -1.92 -0.77 117.51 123.19 1x12 h ILE 117 Ca 0.54 -0.27 -0.11 0.00 1.55 0.00 0.00 64.86 66.58 1x12 h ILE 117 Cb 0.70 -0.01 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 1x12 h ILE 117 CO 1.78 0.14 -0.13 0.11 -1.05 0.00 0.00 178.15 179.00 1x12 h LYS 118 N 0.77 0.89 -0.55 0.16 1.79 -2.00 -1.05 116.57 116.58 1x12 h LYS 118 Ca 0.46 -0.35 -0.09 0.00 -2.18 0.00 0.00 60.65 58.49 1x12 h LYS 118 Cb 0.54 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1x12 h LYS 118 CO -0.30 1.00 -0.02 0.87 -1.08 0.00 0.00 179.45 179.91 1x12 h LYS 119 N 0.72 0.97 -0.25 3.15 1.57 -1.85 -1.08 116.57 119.80 1x12 h LYS 119 Ca 0.11 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1x12 h LYS 119 Cb 0.68 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1x12 h LYS 119 CO 0.05 0.97 0.13 0.82 -0.57 0.00 0.00 179.45 180.85 1x12 h ILE 120 N 0.88 1.13 -0.65 1.86 2.04 -1.00 -0.83 117.51 120.93 1x12 h ILE 120 Ca 0.16 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1x12 h ILE 120 Cb 0.55 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1x12 h ILE 120 CO 0.03 0.13 0.40 -0.03 0.00 0.00 0.00 178.15 178.68 1x12 h MET 121 N 0.28 0.77 -0.41 2.37 4.05 -0.94 -0.69 114.93 120.36 1x12 h MET 121 Ca 0.09 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1x12 h MET 121 Cb 0.08 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1x12 h MET 121 CO -0.01 0.51 0.22 -0.22 0.23 0.00 0.00 176.91 177.64 1x12 h LYS 122 N 0.79 0.57 -0.63 0.39 3.11 -0.92 -1.35 116.57 118.54 1x12 h LYS 122 Ca 0.26 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.96 1x12 h LYS 122 Cb 0.03 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1x12 h LYS 122 CO -0.11 0.47 0.10 -0.22 -2.81 0.00 0.00 179.45 176.88 1x12 h LYS 123 N 0.53 1.05 -0.61 1.90 1.63 -0.79 -1.61 116.57 118.67 1x12 h LYS 123 Ca 0.14 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1x12 h LYS 123 Cb 0.06 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 1x12 h LYS 123 CO -0.02 0.97 0.40 -0.07 -3.45 0.00 0.00 179.45 177.28 1x12 h LEU 124 N 0.96 0.68 -0.91 5.20 3.38 -0.89 -1.84 115.31 121.89 1x12 h LEU 124 Ca 0.19 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1x12 h LEU 124 Cb 0.44 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1x12 h LEU 124 CO 0.01 0.49 0.59 0.45 0.09 0.00 0.00 178.44 180.08 1x12 h HIS 125 N 0.81 1.16 0.00 1.13 3.86 -0.88 0.44 115.15 121.67 1x12 h HIS 125 Ca 0.23 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1x12 h HIS 125 Cb -0.08 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.00 1x12 h HIS 125 CO -0.04 0.74 -0.09 0.93 0.86 0.00 0.00 177.93 180.33 1x12 h GLU 126 N 1.24 0.00 -0.16 2.45 5.08 -0.61 -0.15 114.58 122.42 1x12 h GLU 126 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1x12 h GLU 126 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1x12 h GLU 126 CO -0.07 0.09 0.00 0.54 -1.00 0.00 0.00 179.01 178.57 1x12 n ARG 127 N -3.64 1.84 -1.43 2.33 5.12 -0.36 -4.91 116.66 115.61 1x12 n ARG 127 Ca -0.02 -1.25 -0.03 0.00 -1.93 0.00 0.00 57.85 54.61 1x12 n ARG 127 Cb 0.21 -1.43 -0.01 0.00 -1.16 0.00 0.00 32.46 30.07 1x12 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x12 n GLY 128 N 1.19 0.49 3.36 -0.13 0.00 -0.07 -5.02 105.19 105.02 1x12 n GLY 128 Ca 0.17 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 1x12 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x12 s ILE 129 N -2.13 4.36 0.17 -0.61 1.01 0.00 -5.00 121.20 119.00 1x12 s ILE 129 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.52 1x12 s ILE 129 Cb 0.00 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.98 1x12 s ILE 129 CO 0.00 -0.14 1.57 -2.16 0.00 0.00 0.00 174.94 174.21 1x12 s PRO 130 N 1.53 4.21 -0.02 2.79 0.04 -1.26 -3.55 135.00 138.74 1x12 s PRO 130 Ca 0.02 2.37 -0.24 0.00 0.04 0.00 0.00 61.00 63.18 1x12 s PRO 130 Cb -0.19 -3.15 0.05 0.00 0.04 0.00 0.00 34.50 31.26 1x12 s PRO 130 CO 0.05 -0.60 0.54 0.00 0.04 0.00 0.00 177.00 177.03 1x12 s ALA 131 N 1.10 -1.38 0.21 8.56 0.00 -1.26 -2.19 121.76 126.80 1x12 s ALA 131 Ca 0.70 0.89 -0.09 0.00 0.00 0.00 0.00 51.96 53.46 1x12 s ALA 131 Cb -0.44 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1x12 s ALA 131 CO 0.32 -0.35 0.35 1.52 0.00 0.00 0.00 175.76 177.59 1x12 s TYR 132 N -1.42 0.51 -0.19 0.00 -0.85 -0.40 -4.96 117.35 110.05 1x12 s TYR 132 Ca -0.11 -0.85 -0.19 0.00 -0.52 0.00 0.00 57.07 55.40 1x12 s TYR 132 Cb -0.02 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 1x12 s TYR 132 CO 0.06 -0.83 0.56 0.42 -1.52 0.00 0.00 175.55 174.24 1x12 s ILE 133 N -4.02 5.08 -0.07 -3.49 -1.09 -1.26 -0.99 121.20 115.36 1x12 s ILE 133 Ca 0.23 1.05 -0.11 0.00 -2.23 0.00 0.00 60.65 59.60 1x12 s ILE 133 Cb 0.02 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1x12 s ILE 133 CO 0.06 0.17 0.28 -0.55 -1.23 0.00 0.00 174.94 173.67 1x12 s SER 134 N 1.11 6.59 0.00 3.58 0.15 0.14 -4.88 113.70 120.38 1x12 s SER 134 Ca 0.26 0.70 0.22 0.00 0.70 0.00 0.00 55.95 57.83 1x12 s SER 134 Cb -0.16 -2.16 0.45 0.00 -1.71 0.00 0.00 66.02 62.44 1x12 s SER 134 CO 0.10 0.35 1.40 0.59 1.20 0.00 0.00 173.24 176.88 1x12 n ASN 135 N 2.04 3.50 -3.66 5.45 5.03 -1.26 -0.76 115.26 125.60 1x12 n ASN 135 Ca -0.17 -1.98 -0.06 0.00 0.87 0.00 0.00 54.58 53.25 1x12 n ASN 135 Cb 0.53 -0.29 -0.07 0.00 -1.02 0.00 0.00 39.78 38.93 1x12 n ASN 135 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1x12 s SER 136 N -1.32 -0.69 -0.09 6.41 0.15 -1.26 -4.68 113.70 112.21 1x12 s SER 136 Ca 0.39 1.25 0.13 0.00 0.70 0.00 0.00 55.95 58.42 1x12 s SER 136 Cb 0.22 1.59 0.53 0.00 -1.71 0.00 0.00 66.02 66.65 1x12 s SER 136 CO 0.30 -0.22 1.39 0.00 1.20 0.00 0.00 173.24 175.91 1x12 n ALA 137 N 5.09 3.01 0.00 5.45 0.00 -1.26 -5.04 120.51 127.75 1x12 n ALA 137 Ca -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.14 1x12 n ALA 137 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1x12 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x12 n GLY 138 N 0.85 -2.23 1.90 0.00 0.00 -1.26 -3.84 105.19 100.61 1x12 n GLY 138 Ca 0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 1x12 n GLY 138 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x12 n LEU 139 N 0.00 2.70 0.00 0.99 4.77 -1.26 -4.51 117.00 119.68 1x12 n LEU 139 Ca 0.00 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.46 1x12 n LEU 139 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1x12 n LEU 139 CO 0.00 1.33 0.00 0.00 -1.33 0.00 0.00 177.39 177.39 1x12 n TYR 140 N -0.52 0.00 0.14 -1.77 9.36 -1.26 -1.85 117.16 121.26 1x12 n TYR 140 Ca 0.20 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.41 1x12 n TYR 140 Cb 0.90 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.81 1x12 n TYR 140 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1x12 h LEU 141 N 0.00 0.01 0.01 2.98 3.38 -1.96 -2.33 115.31 117.41 1x12 h LEU 141 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x12 h LEU 141 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1x12 h LEU 141 CO 0.00 0.59 -0.00 0.28 0.09 0.00 0.00 178.44 179.39 1x12 h SER 142 N 0.01 -0.01 -0.62 -0.43 0.02 -1.95 -0.93 113.55 109.65 1x12 h SER 142 Ca -0.01 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1x12 h SER 142 Cb 1.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.54 1x12 h SER 142 CO 0.08 0.11 0.17 -1.13 -1.14 0.00 0.00 176.83 174.92 1x12 h ASN 143 N -0.13 0.94 0.04 3.07 -1.24 -1.66 -0.89 115.58 115.71 1x12 h ASN 143 Ca -0.00 -0.18 0.03 0.00 0.71 0.00 0.00 56.30 56.85 1x12 h ASN 143 Cb 0.13 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.89 1x12 h ASN 143 CO 0.00 0.90 -0.23 0.22 -1.29 0.00 0.00 177.43 177.03 1x12 h TYR 144 N 0.96 -0.62 -0.34 0.67 3.20 -1.11 0.14 116.97 119.86 1x12 h TYR 144 Ca 0.21 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 1x12 h TYR 144 Cb 0.32 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1x12 h TYR 144 CO 0.02 -0.33 -0.33 -0.39 -1.64 0.00 0.00 178.16 175.49 1x12 h VAL 145 N -0.39 1.28 -0.47 1.81 -1.51 -1.03 -2.03 116.25 113.92 1x12 h VAL 145 Ca 0.05 -1.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1x12 h VAL 145 Cb 0.45 1.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 1x12 h VAL 145 CO -0.19 0.49 0.31 -0.03 -1.23 0.00 0.00 177.57 176.92 1x12 h MET 146 N 0.64 0.62 -0.12 5.19 1.85 -0.77 -0.95 114.93 121.39 1x12 h MET 146 Ca 0.07 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 1x12 h MET 146 Cb 0.87 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.76 1x12 h MET 146 CO 0.08 0.41 0.01 -0.92 -0.40 0.00 0.00 176.91 176.09 1x12 h TYR 147 N 0.63 0.22 -0.69 1.39 3.20 -0.65 -2.15 116.97 118.92 1x12 h TYR 147 Ca 0.17 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.02 1x12 h TYR 147 Cb -0.07 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1x12 h TYR 147 CO -0.04 0.42 0.46 -0.07 -1.64 0.00 0.00 178.16 177.29 1x12 h LEU 148 N -0.04 0.79 -0.15 2.82 3.38 -1.24 0.14 115.31 121.00 1x12 h LEU 148 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1x12 h LEU 148 Cb 0.33 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x12 h LEU 148 CO 0.00 0.57 -0.04 -1.28 0.09 0.00 0.00 178.44 177.78 1x12 h SER 149 N 0.93 0.31 -0.03 -0.43 0.87 -1.07 -0.34 113.55 113.79 1x12 h SER 149 Ca 0.26 -0.38 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1x12 h SER 149 Cb -0.09 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1x12 h SER 149 CO -0.06 0.61 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.60 1x12 h LEU 150 N -0.01 0.38 -0.66 2.23 3.38 -1.04 -1.59 115.31 118.01 1x12 h LEU 150 Ca 0.04 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1x12 h LEU 150 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1x12 h LEU 150 CO 0.02 0.59 -0.32 -0.74 0.09 0.00 0.00 178.44 178.07 1x12 h HIS 151 N 0.35 0.80 -0.64 1.13 2.76 -0.59 -1.47 115.15 117.49 1x12 h HIS 151 Ca 0.06 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 57.99 1x12 h HIS 151 Cb 0.54 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1x12 h HIS 151 CO 0.01 0.93 0.28 1.25 -1.30 0.00 0.00 177.93 179.10 1x12 h HIS 152 N 0.58 0.96 -0.38 5.26 6.17 -0.46 -0.85 115.15 126.42 1x12 h HIS 152 Ca 0.06 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1x12 h HIS 152 Cb 0.84 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 30.46 1x12 h HIS 152 CO 0.04 0.74 0.19 1.03 0.71 0.00 0.00 177.93 180.63 1x12 h SER 153 N 0.90 0.50 -0.20 3.26 0.87 -1.05 0.34 113.55 118.18 1x12 h SER 153 Ca 0.22 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.58 1x12 h SER 153 Cb 0.17 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1x12 h SER 153 CO -0.02 0.49 -0.11 0.00 -0.53 0.00 0.00 176.83 176.65 1x12 h ALA 154 N 1.04 1.18 0.00 6.23 0.00 -0.95 -0.90 119.26 125.86 1x12 h ALA 154 Ca 0.13 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1x12 h ALA 154 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1x12 h ALA 154 CO -0.02 0.53 -1.88 0.25 0.00 0.00 0.00 179.25 178.13 1x12 n THR 155 N -4.19 0.88 0.43 0.00 -2.24 -0.35 -4.53 114.28 104.27 1x12 n THR 155 Ca 0.01 -0.68 0.05 0.00 -2.27 0.00 0.00 64.05 61.16 1x12 n THR 155 Cb 0.33 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1x12 n THR 155 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x12 n LYS 156 N -2.65 2.98 -0.50 -0.78 4.76 0.12 -5.01 118.16 117.09 1x12 n LYS 156 Ca -0.15 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1x12 n LYS 156 Cb 0.85 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.99 1x12 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x12 n GLY 157 N 1.34 1.15 3.34 0.72 0.00 -0.34 -5.00 105.19 106.40 1x12 n GLY 157 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1x12 n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x12 s TYR 158 N -3.17 -0.38 0.74 1.61 -0.85 -1.25 -4.40 117.35 109.64 1x12 s TYR 158 Ca 0.00 0.73 -0.12 0.00 -0.52 0.00 0.00 57.07 57.16 1x12 s TYR 158 Cb 0.00 0.19 0.04 0.00 0.38 0.00 0.00 41.96 42.58 1x12 s TYR 158 CO 0.00 -0.41 1.11 -1.25 -1.52 0.00 0.00 175.55 173.48 1x12 s PRO 159 N -0.88 2.35 0.20 -3.49 0.04 -1.25 -3.48 135.00 128.50 1x12 s PRO 159 Ca -0.09 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.18 1x12 s PRO 159 Cb -0.03 -1.90 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1x12 s PRO 159 CO 0.05 -1.59 1.62 0.87 0.04 0.00 0.00 177.00 177.98 1x12 h LYS 160 N -0.76 0.84 -5.59 4.56 1.57 -1.05 -3.42 116.57 112.73 1x12 h LYS 160 Ca -0.45 -0.33 -0.54 0.00 -1.87 0.00 0.00 60.65 57.46 1x12 h LYS 160 Cb 1.24 -0.04 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 1x12 h LYS 160 CO 0.51 0.97 -0.83 -1.64 -0.57 0.00 0.00 179.45 177.89 1x12 s MET 161 N -4.65 1.42 -0.09 3.15 -1.94 -0.94 -4.95 119.30 111.29 1x12 s MET 161 Ca -0.10 -0.61 -0.11 0.00 -1.71 0.00 0.00 55.69 53.16 1x12 s MET 161 Cb 0.13 -1.36 0.03 0.00 2.01 0.00 0.00 34.83 35.64 1x12 s MET 161 CO 0.84 0.36 0.29 0.45 -0.01 0.00 0.00 175.02 176.95 1x12 s SER 162 N -0.36 -0.27 0.26 3.03 0.15 -1.26 -1.12 113.70 114.13 1x12 s SER 162 Ca 0.06 0.46 -0.19 0.00 0.70 0.00 0.00 55.95 56.97 1x12 s SER 162 Cb -0.07 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.84 1x12 s SER 162 CO -0.00 -0.18 0.95 0.61 1.20 0.00 0.00 173.24 175.82 1x12 n GLY 163 N 2.52 0.73 2.97 9.45 0.00 -0.83 -1.24 105.19 118.79 1x12 n GLY 163 Ca -0.15 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 1x12 n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1x12 s PHE 164 N -2.10 0.52 -0.09 1.61 2.19 -1.26 -1.67 117.98 117.19 1x12 s PHE 164 Ca 0.21 -0.10 0.02 0.00 0.33 0.00 0.00 56.93 57.39 1x12 s PHE 164 Cb -0.04 -0.34 0.01 0.00 -1.31 0.00 0.00 43.02 41.35 1x12 s PHE 164 CO 0.08 -0.01 -0.14 0.42 1.83 0.00 0.00 175.22 177.40 1x12 s ILE 165 N -0.14 1.35 -0.07 3.12 1.01 0.16 -1.14 121.20 125.48 1x12 s ILE 165 Ca 0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1x12 s ILE 165 Cb -0.02 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1x12 s ILE 165 CO -0.00 0.41 0.05 -1.00 0.00 0.00 0.00 174.94 174.40 1x12 s HIS 166 N 0.81 3.29 0.17 3.97 3.76 -0.08 -1.47 115.29 125.74 1x12 s HIS 166 Ca -0.11 0.27 0.11 0.00 -0.15 0.00 0.00 55.06 55.18 1x12 s HIS 166 Cb -0.16 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 1x12 s HIS 166 CO 0.02 0.55 -0.23 0.14 -0.85 0.00 0.00 174.74 174.37 1x12 s VAL 167 N -1.00 2.47 1.06 -0.90 -7.23 0.08 -1.80 120.40 113.08 1x12 s VAL 167 Ca 0.16 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.29 1x12 s VAL 167 Cb -0.12 -2.16 0.23 0.00 0.56 0.00 0.00 36.38 34.90 1x12 s VAL 167 CO 0.06 -0.04 1.22 -2.84 -0.31 0.00 0.00 175.10 173.18 1x12 s PRO 168 N -2.48 -0.13 0.73 4.82 0.02 -1.26 -0.65 135.00 136.06 1x12 s PRO 168 Ca 0.19 -0.22 -0.15 0.00 0.02 0.00 0.00 61.00 60.85 1x12 s PRO 168 Cb -0.09 -1.74 0.04 0.00 0.02 0.00 0.00 34.50 32.74 1x12 s PRO 168 CO 0.09 -2.96 1.19 0.71 -0.33 0.00 0.00 177.00 175.71 1x12 s TYR 169 N -3.47 2.10 0.24 6.54 2.02 -1.26 -4.70 117.35 118.81 1x12 s TYR 169 Ca 0.72 1.61 -0.03 0.00 -0.37 0.00 0.00 57.07 59.00 1x12 s TYR 169 Cb -0.07 -3.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.02 1x12 s TYR 169 CO 0.54 -2.51 0.47 0.96 -1.57 0.00 0.00 175.55 173.44 1x12 s ILE 170 N -2.08 5.12 0.30 2.71 -4.36 -1.26 -1.07 121.20 120.55 1x12 s ILE 170 Ca 0.73 -0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.95 1x12 s ILE 170 Cb -0.28 -3.73 0.42 0.00 1.25 0.00 0.00 42.46 40.13 1x12 s ILE 170 CO 0.46 -0.23 1.57 -0.65 0.24 0.00 0.00 174.94 176.33 1x12 h PRO 171 N 1.90 0.01 -0.02 0.37 0.11 -1.91 -0.42 132.00 132.03 1x12 h PRO 171 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1x12 h PRO 171 Cb 1.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1x12 h PRO 171 CO 0.67 0.00 0.03 1.05 -0.21 0.00 0.00 178.00 179.55 1x12 h GLU 172 N 0.01 0.00 0.00 1.05 4.11 -1.96 -0.48 114.58 117.30 1x12 h GLU 172 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1x12 h GLU 172 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1x12 h GLU 172 CO -0.95 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.17 1x12 n GLN 173 N -3.70 0.19 0.08 1.06 6.02 -0.17 -3.30 117.38 117.56 1x12 n GLN 173 Ca -0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1x12 n GLN 173 Cb 0.12 -1.75 -0.04 0.00 1.02 0.00 0.00 30.24 29.59 1x12 n GLN 173 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1x12 h ILE 174 N 0.00 0.79 -0.38 5.09 1.08 -1.17 -3.40 117.51 119.52 1x12 h ILE 174 Ca 0.00 -2.25 0.06 0.00 -0.39 0.00 0.00 64.86 62.28 1x12 h ILE 174 Cb 0.58 2.29 -0.08 0.00 -3.07 0.00 0.00 36.82 36.54 1x12 h ILE 174 CO 0.00 0.45 -0.50 0.40 -0.69 0.00 0.00 178.15 177.81 1x12 h ILE 175 N 0.00 0.05 0.00 -0.67 1.08 -1.62 0.50 117.51 116.85 1x12 h ILE 175 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1x12 h ILE 175 Cb 1.53 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1x12 h ILE 175 CO 0.06 0.00 0.00 0.44 -0.69 0.00 0.00 178.15 177.96 1x12 h ASP 176 N -0.38 0.00 0.64 1.72 3.32 -1.81 -2.15 116.42 117.76 1x12 h ASP 176 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 1x12 h ASP 176 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1x12 h ASP 176 CO -0.57 0.00 -0.69 0.11 -1.72 0.00 0.00 179.24 176.37 1x12 h LYS 177 N 0.00 0.04 -6.60 3.56 1.79 -1.12 -3.40 116.57 110.84 1x12 h LYS 177 Ca 0.00 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.91 1x12 h LYS 177 Cb 0.29 0.01 0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1x12 h LYS 177 CO 0.00 0.71 0.79 0.42 -1.08 0.00 0.00 179.45 180.29 1x12 s ILE 178 N -3.48 2.93 0.00 1.86 1.01 -0.81 -1.69 121.20 121.01 1x12 s ILE 178 Ca -0.01 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1x12 s ILE 178 Cb 0.12 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1x12 s ILE 178 CO 0.78 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.39 1x12 n GLY 179 N 3.38 2.97 0.00 6.18 0.00 -1.26 -4.77 105.19 111.69 1x12 n GLY 179 Ca 0.12 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1x12 n GLY 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x12 n LYS 180 N 0.00 0.35 -0.45 1.61 5.02 -0.68 -4.78 118.16 119.23 1x12 n LYS 180 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1x12 n LYS 180 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1x12 n LYS 180 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x12 n GLY 181 N -0.28 1.56 3.65 0.72 0.00 -1.25 -5.09 105.19 104.49 1x12 n GLY 181 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1x12 n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x12 s GLN 182 N -1.62 0.04 -0.47 1.61 2.00 -1.25 -5.11 119.66 114.87 1x12 s GLN 182 Ca 0.00 0.03 0.03 0.00 -2.00 0.00 0.00 55.36 53.41 1x12 s GLN 182 Cb 0.00 0.02 0.13 0.00 0.80 0.00 0.00 33.01 33.96 1x12 s GLN 182 CO 0.00 -0.01 0.24 0.08 -0.50 0.00 0.00 175.29 175.10 1x12 s VAL 183 N -0.61 1.95 0.71 1.34 1.01 -1.26 -3.86 120.40 119.68 1x12 s VAL 183 Ca 0.08 -2.87 -0.14 0.00 0.00 0.00 0.00 61.98 59.05 1x12 s VAL 183 Cb -0.03 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1x12 s VAL 183 CO -0.11 -0.84 1.15 -2.84 0.00 0.00 0.00 175.10 172.45 1x12 s PRO 184 N 0.10 2.40 0.78 2.72 0.02 -1.26 -5.01 135.00 134.75 1x12 s PRO 184 Ca 0.17 1.52 -0.11 0.00 0.02 0.00 0.00 61.00 62.59 1x12 s PRO 184 Cb -0.25 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.44 1x12 s PRO 184 CO -0.00 -1.59 1.11 -2.14 -0.33 0.00 0.00 177.00 174.05 1x12 s PRO 185 N -4.13 2.10 0.15 5.54 0.02 -1.26 -4.99 135.00 132.43 1x12 s PRO 185 Ca 0.69 1.32 -0.09 0.00 0.02 0.00 0.00 61.00 62.94 1x12 s PRO 185 Cb -0.23 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 1x12 s PRO 185 CO 0.45 -1.78 0.27 -1.54 -0.33 0.00 0.00 177.00 174.07 1x12 s SER 186 N -3.02 0.05 -0.08 2.53 1.04 -1.26 -4.19 113.70 108.76 1x12 s SER 186 Ca 0.64 -0.84 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 1x12 s SER 186 Cb -0.20 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.37 1x12 s SER 186 CO 0.53 -0.87 0.22 -0.32 0.98 0.00 0.00 173.24 173.78 1x12 s MET 187 N -3.95 0.25 0.59 4.02 1.75 -0.23 -4.90 119.30 116.82 1x12 s MET 187 Ca 0.15 0.30 -0.20 0.00 -1.25 0.00 0.00 55.69 54.69 1x12 s MET 187 Cb 0.04 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.79 1x12 s MET 187 CO -0.02 -0.03 1.27 -1.13 -0.65 0.00 0.00 175.02 174.47 1x12 n SER 188 N 2.97 2.17 -0.32 1.11 3.41 -1.26 -4.12 113.62 117.57 1x12 n SER 188 Ca -0.13 0.90 -0.04 0.00 -0.26 0.00 0.00 58.87 59.34 1x12 n SER 188 Cb 0.58 -1.54 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 1x12 n SER 188 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1x12 h TYR 189 N 0.97 1.23 -0.84 7.33 3.20 -1.98 -2.38 116.97 124.52 1x12 h TYR 189 Ca -0.50 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.36 1x12 h TYR 189 Cb 1.33 -0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1x12 h TYR 189 CO 0.43 0.88 0.53 0.93 -1.64 0.00 0.00 178.16 179.28 1x12 h GLU 190 N 1.23 0.96 -0.57 1.82 3.07 -2.00 -0.23 114.58 118.87 1x12 h GLU 190 Ca 0.30 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.99 1x12 h GLU 190 Cb 0.09 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1x12 h GLU 190 CO -0.04 0.64 -0.07 1.98 -1.40 0.00 0.00 179.01 180.12 1x12 h MET 191 N 0.99 1.06 -0.20 2.33 4.05 -1.84 -2.03 114.93 119.30 1x12 h MET 191 Ca 0.35 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1x12 h MET 191 Cb 0.09 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1x12 h MET 191 CO -0.14 1.07 0.12 -0.44 0.23 0.00 0.00 176.91 177.75 1x12 h ASP 192 N 0.94 0.23 -0.42 1.39 3.32 -0.88 -0.07 116.42 120.94 1x12 h ASP 192 Ca 0.15 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1x12 h ASP 192 Cb 0.64 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1x12 h ASP 192 CO 0.04 0.19 0.25 0.25 -1.72 0.00 0.00 179.24 178.25 1x12 h LEU 193 N 0.25 0.41 -0.81 1.55 5.85 -0.95 -1.52 115.31 120.09 1x12 h LEU 193 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1x12 h LEU 193 Cb -0.00 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1x12 h LEU 193 CO -0.01 0.29 0.34 -0.08 -0.34 0.00 0.00 178.44 178.64 1x12 h GLU 194 N 0.51 1.20 -0.50 1.25 4.57 -1.16 -1.69 114.58 118.76 1x12 h GLU 194 Ca 0.16 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1x12 h GLU 194 Cb -0.00 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1x12 h GLU 194 CO -0.07 0.96 0.30 0.00 -1.18 0.00 0.00 179.01 179.02 1x12 h ALA 195 N 1.18 0.64 -0.62 2.92 0.00 -0.49 0.56 119.26 123.45 1x12 h ALA 195 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1x12 h ALA 195 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1x12 h ALA 195 CO -0.03 0.00 0.03 0.28 0.00 0.00 0.00 179.25 179.54 1x12 h VAL 196 N 0.60 1.26 -0.60 0.00 2.07 -0.98 -0.76 116.25 117.84 1x12 h VAL 196 Ca 0.20 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1x12 h VAL 196 Cb 0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1x12 h VAL 196 CO -0.09 0.41 0.30 0.11 0.02 0.00 0.00 177.57 178.32 1x12 h LYS 197 N 0.98 0.86 -0.51 1.57 1.57 -0.78 -1.33 116.57 118.93 1x12 h LYS 197 Ca 0.18 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x12 h LYS 197 Cb 0.52 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1x12 h LYS 197 CO 0.03 0.69 0.31 0.28 -0.57 0.00 0.00 179.45 180.18 1x12 h VAL 198 N 0.82 1.15 -0.70 0.50 2.07 -0.61 -1.30 116.25 118.18 1x12 h VAL 198 Ca 0.21 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1x12 h VAL 198 Cb 0.10 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1x12 h VAL 198 CO -0.03 0.16 0.44 0.00 0.02 0.00 0.00 177.57 178.16 1x12 h ALA 199 N 1.15 0.92 -0.20 1.67 0.00 -0.72 -0.64 119.26 121.44 1x12 h ALA 199 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x12 h ALA 199 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1x12 h ALA 199 CO -0.03 0.20 0.10 0.82 0.00 0.00 0.00 179.25 180.34 1x12 h ILE 200 N 0.85 1.13 -0.47 0.00 2.04 -0.91 -0.83 117.51 119.32 1x12 h ILE 200 Ca 0.29 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1x12 h ILE 200 Cb 0.04 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1x12 h ILE 200 CO -0.12 0.12 0.30 -0.33 0.00 0.00 0.00 178.15 178.12 1x12 h GLU 201 N 0.21 0.58 -0.64 2.37 5.08 -0.85 0.15 114.58 121.48 1x12 h GLU 201 Ca 0.07 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1x12 h GLU 201 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1x12 h GLU 201 CO -0.01 0.39 0.04 0.28 -1.00 0.00 0.00 179.01 178.71 1x12 h VAL 202 N 0.60 1.27 -0.33 3.13 2.07 -1.02 -0.46 116.25 121.50 1x12 h VAL 202 Ca 0.18 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1x12 h VAL 202 Cb -0.04 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1x12 h VAL 202 CO -0.06 0.41 0.14 0.00 0.02 0.00 0.00 177.57 178.08 1x12 h ALA 203 N 1.02 0.42 -0.14 1.67 0.00 -0.82 -1.73 119.26 119.68 1x12 h ALA 203 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1x12 h ALA 203 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x12 h ALA 203 CO 0.02 0.01 0.06 -0.07 0.00 0.00 0.00 179.25 179.28 1x12 h LEU 204 N 0.38 0.08 -2.08 0.00 3.38 -0.74 -1.78 115.31 114.55 1x12 h LEU 204 Ca 0.11 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1x12 h LEU 204 Cb 0.17 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x12 h LEU 204 CO -0.01 0.07 0.09 -0.33 0.09 0.00 0.00 178.44 178.35 1x12 h GLU 205 N 0.13 0.00 -0.18 1.13 5.08 -0.94 -0.29 114.58 119.51 1x12 h GLU 205 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 1x12 h GLU 205 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1x12 h GLU 205 CO -0.05 0.00 -0.61 1.49 -1.00 0.00 0.00 179.01 178.84 1x12 h GLU 206 N 0.00 0.63 0.00 2.33 4.57 -0.50 -3.02 114.58 118.60 1x12 h GLU 206 Ca 0.05 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1x12 h GLU 206 Cb 0.23 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1x12 h GLU 206 CO -0.00 1.05 0.00 -0.07 -1.18 0.00 0.00 179.01 178.81 1x12 h LEU 207 N 0.47 0.00 0.00 1.64 3.38 -0.41 -3.52 115.31 116.87 1x12 h LEU 207 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x12 h LEU 207 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1x12 h LEU 207 CO 0.12 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.83