#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h28 n MET 1 N 0.00 0.51 -0.28 4.33 2.81 -1.26 -3.53 117.12 119.70 1h28 n MET 1 Ca 0.00 0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.06 1h28 n MET 1 Cb 0.00 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 31.42 1h28 n MET 1 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1h28 h GLU 2 N 0.00 0.60 -0.04 0.03 4.81 -2.05 -1.74 114.58 116.19 1h28 h GLU 2 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1h28 h GLU 2 Cb 0.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1h28 h GLU 2 CO 0.00 0.40 0.00 0.09 -0.73 0.00 0.00 179.01 178.77 1h28 n ASN 3 N -4.58 1.52 -4.39 1.04 3.02 -1.23 -4.88 115.26 105.76 1h28 n ASN 3 Ca 0.19 -1.53 -0.32 0.00 -0.03 0.00 0.00 54.58 52.88 1h28 n ASN 3 Cb 0.56 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.57 1h28 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h28 s PHE 4 N -1.96 2.66 0.06 3.10 0.08 -0.66 -0.71 117.98 120.55 1h28 s PHE 4 Ca 0.37 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 57.03 1h28 s PHE 4 Cb 0.20 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.93 1h28 s PHE 4 CO 0.32 -0.04 -0.13 -1.14 -0.10 0.00 0.00 175.22 174.14 1h28 s GLN 5 N -0.26 2.19 -0.12 0.44 2.00 -0.67 -4.98 119.66 118.28 1h28 s GLN 5 Ca 0.01 -0.94 -0.13 0.00 -2.00 0.00 0.00 55.36 52.30 1h28 s GLN 5 Cb -0.13 -2.30 -0.05 0.00 0.80 0.00 0.00 33.01 31.33 1h28 s GLN 5 CO 0.03 0.54 0.29 0.15 -0.50 0.00 0.00 175.29 175.80 1h28 s LYS 6 N -1.71 4.03 0.00 1.67 1.02 -1.26 -1.00 119.74 122.49 1h28 s LYS 6 Ca 0.18 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1h28 s LYS 6 Cb -0.11 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1h28 s LYS 6 CO 0.09 0.44 0.00 0.28 -0.92 0.00 0.00 175.35 175.24 1h28 n VAL 7 N 2.89 0.00 -3.96 3.17 0.31 0.18 -4.94 118.33 115.99 1h28 n VAL 7 Ca -0.14 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1h28 n VAL 7 Cb 0.53 -0.98 -0.07 0.00 -0.91 0.00 0.00 33.84 32.41 1h28 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h28 s GLU 8 N -0.52 1.24 0.21 5.55 -1.05 -1.20 -4.95 118.70 117.98 1h28 s GLU 8 Ca 0.00 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.34 1h28 s GLU 8 Cb 0.00 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 1h28 s GLU 8 CO 0.00 -0.47 1.38 0.15 0.95 0.00 0.00 175.26 177.27 1h28 s LYS 9 N -3.98 4.33 -0.14 -4.83 1.02 -1.26 0.14 119.74 115.02 1h28 s LYS 9 Ca 0.18 2.16 0.09 0.00 0.02 0.00 0.00 55.97 58.43 1h28 s LYS 9 Cb 0.02 -3.17 -0.15 0.00 -0.52 0.00 0.00 37.83 34.01 1h28 s LYS 9 CO 0.02 -0.35 -0.00 -0.89 -0.92 0.00 0.00 175.35 173.20 1h28 n ILE 10 N 2.72 0.95 -3.64 2.17 5.41 0.33 -4.79 119.36 122.52 1h28 n ILE 10 Ca 0.07 -0.53 -0.09 0.00 1.00 0.00 0.00 62.75 63.20 1h28 n ILE 10 Cb 0.42 -0.76 -0.02 0.00 -0.71 0.00 0.00 39.64 38.57 1h28 n ILE 10 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1h28 s GLY 11 N -4.93 -0.36 0.25 7.39 0.00 -1.20 -5.00 107.32 103.47 1h28 s GLY 11 Ca -0.11 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.77 1h28 s GLY 11 CO 0.52 0.05 0.13 1.85 0.00 0.00 0.00 173.10 175.65 1h28 s GLU 12 N -3.76 1.38 0.00 2.90 2.12 -1.26 0.42 118.70 120.49 1h28 s GLU 12 Ca 0.06 -1.75 0.00 0.00 0.36 0.00 0.00 54.97 53.64 1h28 s GLU 12 Cb -0.03 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.34 1h28 s GLU 12 CO -0.03 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 1h28 n GLY 13 N -0.42 -1.28 0.00 -1.50 0.00 -0.17 -4.89 105.19 96.93 1h28 n GLY 13 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1h28 n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h28 n THR 14 N 0.00 0.00 -1.20 2.61 -2.24 -1.26 -4.22 114.28 107.97 1h28 n THR 14 Ca 0.00 0.47 0.05 0.00 -2.27 0.00 0.00 64.05 62.30 1h28 n THR 14 Cb 0.00 -0.97 0.08 0.00 -2.10 0.00 0.00 70.33 67.33 1h28 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1h28 n TYR 15 N 0.00 0.00 -3.86 4.78 4.02 -1.26 -5.08 117.16 115.77 1h28 n TYR 15 Ca 0.00 -0.60 -0.08 0.00 -0.01 0.00 0.00 57.90 57.21 1h28 n TYR 15 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 39.34 39.21 1h28 n TYR 15 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1h28 s GLY 16 N -1.94 0.15 0.55 2.72 0.00 -1.25 -3.23 107.32 104.31 1h28 s GLY 16 Ca 0.17 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.42 1h28 s GLY 16 CO 0.02 -0.23 0.46 0.14 0.00 0.00 0.00 173.10 173.49 1h28 s VAL 17 N -3.35 1.69 -0.00 1.40 1.01 -1.25 -1.00 120.40 118.90 1h28 s VAL 17 Ca 0.14 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.71 1h28 s VAL 17 Cb -0.05 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1h28 s VAL 17 CO 0.09 0.00 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 1h28 s VAL 18 N -2.76 0.43 -0.06 2.92 1.01 0.17 -3.42 120.40 118.68 1h28 s VAL 18 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1h28 s VAL 18 Cb -0.03 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1h28 s VAL 18 CO 0.23 0.11 -0.08 -0.31 0.00 0.00 0.00 175.10 175.05 1h28 s TYR 19 N -0.17 1.12 0.07 5.22 1.51 -0.74 0.12 117.35 124.48 1h28 s TYR 19 Ca 0.02 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.38 1h28 s TYR 19 Cb -0.02 -0.89 -0.09 0.00 -0.11 0.00 0.00 41.96 40.85 1h28 s TYR 19 CO -0.00 -0.26 1.72 0.21 -1.11 0.00 0.00 175.55 176.10 1h28 s LYS 20 N 0.91 4.18 0.02 -0.62 2.20 0.12 -1.36 119.74 125.20 1h28 s LYS 20 Ca -0.11 2.40 0.08 0.00 -0.36 0.00 0.00 55.97 57.98 1h28 s LYS 20 Cb -0.15 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1h28 s LYS 20 CO 0.01 -0.79 -0.23 0.00 -0.36 0.00 0.00 175.35 173.99 1h28 s ALA 21 N 2.94 1.91 -0.02 3.13 0.00 0.53 -0.64 121.76 129.60 1h28 s ALA 21 Ca 0.77 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1h28 s ALA 21 Cb -0.41 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1h28 s ALA 21 CO 0.34 0.45 -0.13 0.50 0.00 0.00 0.00 175.76 176.91 1h28 s ARG 22 N -0.98 2.44 -0.09 0.00 3.52 -0.17 0.15 118.95 123.82 1h28 s ARG 22 Ca 0.09 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.80 1h28 s ARG 22 Cb -0.09 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.88 1h28 s ARG 22 CO 0.01 0.61 0.33 1.21 -0.81 0.00 0.00 175.30 176.64 1h28 s ASN 23 N -1.02 6.59 0.22 -2.12 3.84 0.50 -1.66 114.94 121.28 1h28 s ASN 23 Ca 0.13 0.70 0.24 0.00 0.21 0.00 0.00 52.86 54.14 1h28 s ASN 23 Cb -0.11 -2.20 0.42 0.00 -0.55 0.00 0.00 41.25 38.81 1h28 s ASN 23 CO 0.03 0.22 1.46 0.11 -2.79 0.00 0.00 177.10 176.13 1h28 h LYS 24 N 5.70 0.00 0.00 0.43 1.57 -1.23 -2.72 116.57 120.31 1h28 h LYS 24 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1h28 h LYS 24 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1h28 h LYS 24 CO 0.68 0.00 -1.81 1.28 -0.57 0.00 0.00 179.45 179.03 1h28 n LEU 25 N -2.42 0.18 0.00 2.94 4.77 -1.26 -4.70 117.00 116.51 1h28 n LEU 25 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1h28 n LEU 25 Cb 0.47 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1h28 n LEU 25 CO 0.35 -0.02 -0.38 0.35 -1.33 0.00 0.00 177.39 176.36 1h28 n THR 26 N -2.37 0.00 0.00 -5.08 -2.24 -1.25 -5.02 114.28 98.32 1h28 n THR 26 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1h28 n THR 26 Cb 0.59 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1h28 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h28 n GLY 27 N 2.33 2.92 3.72 3.38 0.00 -1.03 -5.02 105.19 111.49 1h28 n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1h28 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h28 s GLU 28 N -0.97 4.19 -0.25 1.61 2.12 -1.25 -4.45 118.70 119.71 1h28 s GLU 28 Ca 0.00 2.42 -0.13 0.00 0.36 0.00 0.00 54.97 57.63 1h28 s GLU 28 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1h28 s GLU 28 CO 0.00 -0.63 0.26 0.08 -0.54 0.00 0.00 175.26 174.43 1h28 s VAL 29 N 1.01 5.27 0.22 3.70 1.01 -1.26 0.19 120.40 130.55 1h28 s VAL 29 Ca 0.70 0.37 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1h28 s VAL 29 Cb -0.45 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1h28 s VAL 29 CO 0.33 0.26 0.09 0.68 0.00 0.00 0.00 175.10 176.46 1h28 s VAL 30 N 1.50 0.39 -0.21 2.92 -7.23 0.40 -2.82 120.40 115.36 1h28 s VAL 30 Ca 0.11 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1h28 s VAL 30 Cb -0.15 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1h28 s VAL 30 CO 0.08 -0.08 0.11 0.00 -0.31 0.00 0.00 175.10 174.89 1h28 s ALA 31 N -3.87 3.52 -0.09 1.32 0.00 0.22 0.20 121.76 123.06 1h28 s ALA 31 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1h28 s ALA 31 Cb 0.07 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 1h28 s ALA 31 CO 0.11 0.04 -0.08 -0.51 0.00 0.00 0.00 175.76 175.32 1h28 s LEU 32 N 0.62 3.05 -0.47 0.00 1.43 -0.46 -1.16 118.68 121.70 1h28 s LEU 32 Ca 0.06 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1h28 s LEU 32 Cb -0.12 -1.67 0.13 0.00 0.03 0.00 0.00 46.19 44.55 1h28 s LEU 32 CO 0.01 0.31 0.23 -0.75 0.23 0.00 0.00 176.35 176.37 1h28 s LYS 33 N -0.47 1.64 0.11 1.70 2.20 -0.76 -1.80 119.74 122.36 1h28 s LYS 33 Ca 0.07 -2.28 -0.31 0.00 -0.36 0.00 0.00 55.97 53.08 1h28 s LYS 33 Cb -0.12 -2.90 -0.08 0.00 -1.51 0.00 0.00 37.83 33.21 1h28 s LYS 33 CO 0.02 -1.11 1.49 0.21 -0.36 0.00 0.00 175.35 175.60 1h28 s LYS 34 N 0.10 4.26 -0.41 4.03 2.20 -1.22 -2.28 119.74 126.43 1h28 s LYS 34 Ca 0.16 2.19 0.03 0.00 -0.36 0.00 0.00 55.97 58.00 1h28 s LYS 34 Cb -0.25 -3.31 0.11 0.00 -1.51 0.00 0.00 37.83 32.87 1h28 s LYS 34 CO -0.01 -0.55 0.14 0.42 -0.36 0.00 0.00 175.35 174.99 1h28 s ILE 35 N 1.51 2.22 0.25 5.43 1.01 0.21 -3.77 121.20 128.05 1h28 s ILE 35 Ca 0.68 -2.64 -0.30 0.00 0.00 0.00 0.00 60.65 58.39 1h28 s ILE 35 Cb -0.39 -2.60 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 1h28 s ILE 35 CO 0.30 -0.70 1.21 0.54 0.00 0.00 0.00 174.94 176.29 1h28 n ARG 36 N 3.84 1.61 0.00 2.79 1.74 -1.20 -2.17 116.66 123.26 1h28 n ARG 36 Ca 0.04 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1h28 n ARG 36 Cb 0.38 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 1h28 n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1h28 n LEU 37 N 1.67 0.00 0.00 0.55 4.77 -1.26 -4.87 117.00 117.86 1h28 n LEU 37 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1h28 n LEU 37 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1h28 n LEU 37 CO 0.61 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.14 1h28 n ASP 38 N 0.00 0.00 0.00 -1.43 9.92 -1.26 -4.86 116.55 118.92 1h28 n ASP 38 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1h28 n ASP 38 Cb 0.00 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 40.99 1h28 n ASP 38 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1h28 n THR 39 N 1.86 0.36 0.74 -3.53 -2.24 -1.26 -3.14 114.28 107.07 1h28 n THR 39 Ca 0.00 0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 1h28 n THR 39 Cb 0.00 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 67.50 1h28 n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h28 n GLU 40 N -1.51 0.17 0.00 -0.78 1.02 -1.26 -4.84 120.64 113.44 1h28 n GLU 40 Ca 0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1h28 n GLU 40 Cb 0.28 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 1h28 n GLU 40 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1h28 n THR 41 N -1.73 0.00 -2.20 2.62 -2.24 -1.19 -5.01 114.28 104.53 1h28 n THR 41 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1h28 n THR 41 Cb 0.39 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1h28 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h28 n GLU 42 N 0.00 2.19 0.00 -0.78 1.02 -1.26 -5.10 120.64 116.71 1h28 n GLU 42 Ca 0.00 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.63 1h28 n GLU 42 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1h28 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h28 n GLY 43 N -0.60 -0.02 3.67 0.62 0.00 -1.24 -4.35 105.19 103.26 1h28 n GLY 43 Ca 0.24 -1.01 -0.50 0.00 0.00 0.00 0.00 46.02 44.75 1h28 n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h28 n VAL 44 N 0.00 0.50 -1.67 1.61 0.31 -1.26 -4.76 118.33 113.06 1h28 n VAL 44 Ca 0.00 -0.12 -0.36 0.00 -0.01 0.00 0.00 64.34 63.85 1h28 n VAL 44 Cb 0.00 -1.77 0.07 0.00 -0.91 0.00 0.00 33.84 31.24 1h28 n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h28 s PRO 45 N 4.27 2.47 0.31 5.55 0.04 -1.26 -4.82 135.00 141.55 1h28 s PRO 45 Ca 0.96 1.88 0.26 0.00 0.04 0.00 0.00 61.00 64.14 1h28 s PRO 45 Cb -0.76 -1.86 0.97 0.00 0.04 0.00 0.00 34.50 32.89 1h28 s PRO 45 CO 0.54 -1.62 1.77 0.66 0.04 0.00 0.00 177.00 178.39 1h28 h SER 46 N 0.26 0.00 -0.05 6.66 4.64 -1.91 -2.73 113.55 120.42 1h28 h SER 46 Ca -0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.65 1h28 h SER 46 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1h28 h SER 46 CO 0.52 0.00 -0.66 0.71 -0.87 0.00 0.00 176.83 176.53 1h28 h THR 47 N 0.00 1.37 0.07 2.95 1.35 -1.91 -2.06 112.91 114.68 1h28 h THR 47 Ca 0.00 -2.01 0.02 0.00 -0.55 0.00 0.00 66.41 63.87 1h28 h THR 47 Cb 0.52 2.37 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 1h28 h THR 47 CO 0.00 0.60 -0.21 0.00 -0.25 0.00 0.00 175.52 175.67 1h28 h ALA 48 N 0.41 -0.32 -1.00 6.62 0.00 -1.84 0.91 119.26 124.03 1h28 h ALA 48 Ca -0.07 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1h28 h ALA 48 Cb 1.33 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 1h28 h ALA 48 CO 0.13 -0.72 0.62 0.82 0.00 0.00 0.00 179.25 180.10 1h28 h ILE 49 N -0.37 0.63 0.13 0.00 2.04 -1.43 -0.12 117.51 118.40 1h28 h ILE 49 Ca 0.04 -0.20 -0.29 0.00 1.00 0.00 0.00 64.86 65.41 1h28 h ILE 49 Cb 0.41 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1h28 h ILE 49 CO -0.14 0.11 -1.36 0.03 0.00 0.00 0.00 178.15 176.79 1h28 h ARG 50 N 0.59 0.27 0.00 2.37 3.08 -0.60 -2.90 114.38 117.20 1h28 h ARG 50 Ca 0.58 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1h28 h ARG 50 Cb 1.14 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1h28 h ARG 50 CO -0.35 1.18 0.00 -1.91 -1.07 0.00 0.00 179.97 177.83 1h28 n GLU 51 N -3.51 0.00 -0.21 0.04 2.13 0.31 -2.75 120.64 116.65 1h28 n GLU 51 Ca -0.12 0.47 0.02 0.00 0.66 0.00 0.00 57.16 58.19 1h28 n GLU 51 Cb 1.03 -1.37 0.13 0.00 0.27 0.00 0.00 31.44 31.50 1h28 n GLU 51 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1h28 h ILE 52 N 0.00 0.61 0.51 6.31 2.04 -1.22 -1.68 117.51 124.08 1h28 h ILE 52 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1h28 h ILE 52 Cb 0.00 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1h28 h ILE 52 CO 0.00 0.05 -0.25 0.77 0.00 0.00 0.00 178.15 178.72 1h28 h SER 53 N 0.28 -0.59 -0.54 1.72 4.64 -1.65 -0.25 113.55 117.16 1h28 h SER 53 Ca 0.35 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.56 1h28 h SER 53 Cb 0.53 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1h28 h SER 53 CO -0.43 -0.34 0.04 -0.07 -0.87 0.00 0.00 176.83 175.17 1h28 h LEU 54 N -0.80 0.90 -0.09 5.97 3.38 -1.30 -2.96 115.31 120.40 1h28 h LEU 54 Ca -0.07 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.65 1h28 h LEU 54 Cb 0.58 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1h28 h LEU 54 CO 0.12 0.96 -0.48 -0.07 0.09 0.00 0.00 178.44 179.05 1h28 h LEU 55 N 0.81 -1.51 -0.34 1.67 4.07 -1.37 -1.82 115.31 116.83 1h28 h LEU 55 Ca 0.16 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1h28 h LEU 55 Cb 0.47 0.59 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1h28 h LEU 55 CO 0.02 -0.47 0.64 0.11 -1.08 0.00 0.00 178.44 177.65 1h28 h LYS 56 N -0.57 0.00 0.00 1.13 1.79 -0.87 0.50 116.57 118.55 1h28 h LYS 56 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1h28 h LYS 56 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1h28 h LYS 56 CO -0.39 0.00 -1.82 -1.91 -1.08 0.00 0.00 179.45 174.24 1h28 n GLU 57 N -1.98 0.57 -3.57 3.15 2.13 -0.70 -4.83 120.64 115.41 1h28 n GLU 57 Ca -0.00 -0.17 -0.41 0.00 0.66 0.00 0.00 57.16 57.25 1h28 n GLU 57 Cb 0.65 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.76 1h28 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1h28 s LEU 58 N -4.25 5.45 -0.38 4.31 1.43 0.17 -5.03 118.68 120.38 1h28 s LEU 58 Ca -0.05 -1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 51.26 1h28 s LEU 58 Cb 0.14 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1h28 s LEU 58 CO 0.88 -0.62 0.17 0.21 0.23 0.00 0.00 176.35 177.22 1h28 s ASN 59 N 2.42 5.41 -0.28 2.29 3.04 -1.26 -4.95 114.94 121.61 1h28 s ASN 59 Ca 0.04 -1.40 -0.23 0.00 0.04 0.00 0.00 52.86 51.31 1h28 s ASN 59 Cb -0.25 -1.90 0.09 0.00 -1.54 0.00 0.00 41.25 37.65 1h28 s ASN 59 CO 0.01 -0.43 0.82 -2.28 -3.04 0.00 0.00 177.10 172.18 1h28 s HIS 60 N 1.37 -0.72 0.50 0.43 2.46 -1.26 -5.03 115.29 113.04 1h28 s HIS 60 Ca 0.01 1.68 0.36 0.00 0.47 0.00 0.00 55.06 57.58 1h28 s HIS 60 Cb -0.21 0.35 1.51 0.00 -0.13 0.00 0.00 32.58 34.10 1h28 s HIS 60 CO 0.01 -0.35 1.68 -1.35 -2.47 0.00 0.00 174.74 172.27 1h28 h PRO 61 N 5.08 0.07 -0.73 2.88 0.11 -1.98 -2.54 132.00 134.89 1h28 h PRO 61 Ca -0.29 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 1h28 h PRO 61 Cb 1.18 -0.02 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 1h28 h PRO 61 CO 0.09 0.05 -0.14 0.09 -0.21 0.00 0.00 178.00 177.88 1h28 n ASN 62 N -4.32 5.15 -3.70 -2.05 4.13 -1.26 -4.87 115.26 108.34 1h28 n ASN 62 Ca 0.34 -3.77 -0.17 0.00 1.68 0.00 0.00 54.58 52.66 1h28 n ASN 62 Cb 1.47 -0.60 -0.16 0.00 -1.54 0.00 0.00 39.78 38.95 1h28 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h28 s ILE 63 N -4.34 -0.14 0.43 2.41 1.01 -0.96 -2.79 121.20 116.82 1h28 s ILE 63 Ca 0.54 0.34 -0.16 0.00 0.00 0.00 0.00 60.65 61.37 1h28 s ILE 63 Cb 0.44 -0.19 -0.13 0.00 0.01 0.00 0.00 42.46 42.59 1h28 s ILE 63 CO 0.02 0.14 -0.10 0.52 0.00 0.00 0.00 174.94 175.52 1h28 n VAL 64 N 4.97 0.03 -4.02 2.92 0.31 0.22 -4.67 118.33 118.10 1h28 n VAL 64 Ca -0.11 -0.44 -0.35 0.00 -0.01 0.00 0.00 64.34 63.44 1h28 n VAL 64 Cb 0.50 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.32 1h28 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1h28 s LYS 65 N -0.87 3.82 -0.24 5.55 2.20 -1.26 -4.94 119.74 124.00 1h28 s LYS 65 Ca 0.50 -0.42 -0.16 0.00 -0.36 0.00 0.00 55.97 55.53 1h28 s LYS 65 Cb -0.44 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1h28 s LYS 65 CO 0.57 0.13 0.43 -1.17 -0.36 0.00 0.00 175.35 174.95 1h28 s LEU 66 N 0.74 4.09 -0.11 5.43 2.96 -1.26 -2.13 118.68 128.39 1h28 s LEU 66 Ca 0.02 0.45 0.19 0.00 -0.22 0.00 0.00 54.13 54.58 1h28 s LEU 66 Cb -0.14 -2.54 -0.27 0.00 0.50 0.00 0.00 46.19 43.75 1h28 s LEU 66 CO 0.02 -0.18 0.30 0.18 -1.32 0.00 0.00 176.35 175.35 1h28 n LEU 67 N 5.08 0.10 -3.64 -0.68 4.77 0.10 -4.97 117.00 117.75 1h28 n LEU 67 Ca -0.07 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1h28 n LEU 67 Cb 0.51 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.80 1h28 n LEU 67 CO 0.39 0.28 0.81 -0.62 -1.33 0.00 0.00 177.39 176.92 1h28 s ASP 68 N -5.17 -0.36 -0.07 -1.43 2.15 -1.21 -5.01 116.67 105.57 1h28 s ASP 68 Ca -0.08 0.61 -0.16 0.00 0.43 0.00 0.00 52.55 53.35 1h28 s ASP 68 Cb 0.09 0.96 -0.05 0.00 -0.30 0.00 0.00 42.92 43.62 1h28 s ASP 68 CO 0.86 -0.10 0.41 -0.69 -0.17 0.00 0.00 175.17 175.47 1h28 s VAL 69 N 0.87 5.13 -0.36 1.11 1.01 -1.26 -1.53 120.40 125.37 1h28 s VAL 69 Ca -0.04 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.74 1h28 s VAL 69 Cb -0.04 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1h28 s VAL 69 CO -0.12 0.47 0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1h28 s ILE 70 N -0.28 3.06 -0.66 2.22 1.01 0.14 -5.00 121.20 121.68 1h28 s ILE 70 Ca 0.23 -1.85 -0.24 0.00 0.00 0.00 0.00 60.65 58.80 1h28 s ILE 70 Cb -0.16 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.38 1h28 s ILE 70 CO 0.11 -0.47 1.02 -1.00 0.00 0.00 0.00 174.94 174.60 1h28 s HIS 71 N 1.15 2.62 0.25 3.97 3.76 -1.26 -2.77 115.29 123.00 1h28 s HIS 71 Ca 0.04 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1h28 s HIS 71 Cb -0.21 -4.33 -0.03 0.00 1.11 0.00 0.00 32.58 29.12 1h28 s HIS 71 CO -0.04 -1.69 0.35 0.99 -0.85 0.00 0.00 174.74 173.51 1h28 s THR 72 N 4.37 5.11 0.11 1.30 2.01 -0.63 -5.04 115.64 122.88 1h28 s THR 72 Ca 0.26 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1h28 s THR 72 Cb -0.15 -3.79 -0.17 0.00 0.01 0.00 0.00 72.50 68.40 1h28 s THR 72 CO 0.12 -0.32 1.30 -0.33 -0.69 0.00 0.00 174.62 174.70 1h28 h GLU 73 N 1.18 0.62 -0.69 4.92 3.07 -2.03 -3.29 114.58 118.34 1h28 h GLU 73 Ca -0.51 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 57.77 1h28 h GLU 73 Cb 1.23 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 1h28 h GLU 73 CO 0.60 1.19 0.00 0.27 -1.40 0.00 0.00 179.01 179.68 1h28 n ASN 74 N -3.85 4.29 0.00 1.42 0.23 -1.26 -4.79 115.26 111.30 1h28 n ASN 74 Ca -0.08 -2.22 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 1h28 n ASN 74 Cb 0.80 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1h28 n ASN 74 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1h28 n LYS 75 N 1.37 -0.26 -3.59 -3.83 2.85 -1.24 -4.31 118.16 109.15 1h28 n LYS 75 Ca 0.25 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.33 1h28 n LYS 75 Cb 0.75 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.98 1h28 n LYS 75 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1h28 s LEU 76 N 0.00 -0.06 -0.16 -5.58 2.96 -0.92 -1.61 118.68 113.31 1h28 s LEU 76 Ca 0.00 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1h28 s LEU 76 Cb 0.00 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.95 1h28 s LEU 76 CO 0.00 -0.29 0.12 -0.31 -1.32 0.00 0.00 176.35 174.55 1h28 s TYR 77 N 2.30 3.46 -0.13 5.38 2.02 -1.12 0.68 117.35 129.93 1h28 s TYR 77 Ca 0.04 0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1h28 s TYR 77 Cb -0.14 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1h28 s TYR 77 CO -0.09 0.47 -0.04 -0.48 -1.57 0.00 0.00 175.55 173.84 1h28 s LEU 78 N -0.28 3.28 -0.32 -1.29 2.34 -0.96 -0.69 118.68 120.75 1h28 s LEU 78 Ca 0.11 -0.08 -0.09 0.00 0.06 0.00 0.00 54.13 54.13 1h28 s LEU 78 Cb -0.12 -1.77 0.01 0.00 -0.56 0.00 0.00 46.19 43.75 1h28 s LEU 78 CO 0.01 0.22 0.14 -0.69 -1.06 0.00 0.00 176.35 174.97 1h28 s VAL 79 N 0.04 4.38 0.02 1.48 1.01 -0.58 -1.82 120.40 124.92 1h28 s VAL 79 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1h28 s VAL 79 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1h28 s VAL 79 CO 0.03 -0.01 -0.01 -0.36 0.00 0.00 0.00 175.10 174.75 1h28 s PHE 80 N 1.56 3.02 0.11 5.22 0.08 -0.31 0.02 117.98 127.67 1h28 s PHE 80 Ca 0.03 0.03 -0.36 0.00 0.12 0.00 0.00 56.93 56.75 1h28 s PHE 80 Cb -0.18 -1.62 -0.16 0.00 -0.57 0.00 0.00 43.02 40.49 1h28 s PHE 80 CO 0.05 0.45 1.34 -0.85 -0.10 0.00 0.00 175.22 176.11 1h28 n GLU 81 N 1.21 1.24 -2.52 0.44 0.28 -0.91 -0.61 120.64 119.77 1h28 n GLU 81 Ca -0.14 0.45 -0.42 0.00 -0.16 0.00 0.00 57.16 56.89 1h28 n GLU 81 Cb 0.52 -2.08 -0.03 0.00 1.43 0.00 0.00 31.44 31.28 1h28 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1h28 s PHE 82 N 0.42 3.52 -0.09 -1.84 5.36 -1.13 -4.43 117.98 119.80 1h28 s PHE 82 Ca 0.82 1.45 0.02 0.00 -0.96 0.00 0.00 56.93 58.27 1h28 s PHE 82 Cb -0.91 -3.31 -0.02 0.00 -0.34 0.00 0.00 43.02 38.44 1h28 s PHE 82 CO 0.47 -0.83 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.73 1h28 s LEU 83 N 0.93 2.57 0.05 6.12 1.43 -1.26 -4.93 118.68 123.59 1h28 s LEU 83 Ca 0.56 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1h28 s LEU 83 Cb -0.27 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1h28 s LEU 83 CO 0.29 0.24 1.21 -0.74 0.23 0.00 0.00 176.35 177.58 1h28 h HIS 84 N 6.16 -0.64 -1.76 0.29 -0.00 -1.86 -3.47 115.15 113.87 1h28 h HIS 84 Ca -0.33 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1h28 h HIS 84 Cb 1.19 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.90 1h28 h HIS 84 CO 0.49 -0.19 0.00 0.00 -0.00 0.00 0.00 177.93 178.22 1h28 n GLN 85 N -3.70 0.00 -4.03 5.26 10.64 -0.93 -5.00 117.38 119.62 1h28 n GLN 85 Ca -0.02 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.94 1h28 n GLN 85 Cb 0.13 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.47 1h28 n GLN 85 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 1h28 s ASP 86 N -0.41 5.54 0.23 2.61 1.47 -1.26 -0.20 116.67 124.65 1h28 s ASP 86 Ca 0.00 -0.27 0.22 0.00 1.18 0.00 0.00 52.55 53.67 1h28 s ASP 86 Cb 0.00 -1.35 0.95 0.00 -0.34 0.00 0.00 42.92 42.18 1h28 s ASP 86 CO 0.00 -0.11 1.66 -0.11 0.68 0.00 0.00 175.17 177.30 1h28 n LEU 87 N -1.24 0.57 0.11 2.11 7.94 0.78 -2.09 117.00 125.19 1h28 n LEU 87 Ca -0.07 0.66 -0.20 0.00 -1.11 0.00 0.00 56.01 55.30 1h28 n LEU 87 Cb 0.58 -0.60 -0.15 0.00 0.53 0.00 0.00 43.42 43.78 1h28 n LEU 87 CO 0.43 -0.58 -0.18 0.50 -1.11 0.00 0.00 177.39 176.45 1h28 h LYS 88 N 0.00 0.37 0.00 1.96 3.11 -1.84 -2.98 116.57 117.19 1h28 h LYS 88 Ca 0.00 -0.63 -0.08 0.00 -2.81 0.00 0.00 60.65 57.13 1h28 h LYS 88 Cb 0.30 0.24 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1h28 h LYS 88 CO 0.00 1.29 -0.37 0.87 -2.81 0.00 0.00 179.45 178.43 1h28 h LYS 89 N 0.10 0.00 0.01 1.90 1.57 -1.78 -1.37 116.57 117.00 1h28 h LYS 89 Ca -0.20 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1h28 h LYS 89 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 1h28 h LYS 89 CO 0.22 0.37 -0.00 0.35 -0.57 0.00 0.00 179.45 179.82 1h28 h PHE 90 N 0.00 -0.01 -0.16 -1.35 3.57 -1.56 -2.47 116.94 114.95 1h28 h PHE 90 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1h28 h PHE 90 Cb 0.87 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1h28 h PHE 90 CO 0.00 0.41 -0.15 0.52 -2.23 0.00 0.00 178.31 176.86 1h28 h MET 91 N -0.42 0.39 -0.90 1.11 2.86 -1.33 -1.55 114.93 115.08 1h28 h MET 91 Ca -0.00 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1h28 h MET 91 Cb 0.42 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 1h28 h MET 91 CO 0.00 0.75 0.58 -0.44 1.06 0.00 0.00 176.91 178.87 1h28 h ASP 92 N 0.03 0.82 0.86 1.22 3.32 -1.36 0.78 116.42 122.09 1h28 h ASP 92 Ca 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1h28 h ASP 92 Cb 0.68 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1h28 h ASP 92 CO 0.04 0.48 -0.05 0.00 -1.72 0.00 0.00 179.24 177.98 1h28 h ALA 93 N 1.55 1.03 -0.22 3.45 0.00 -0.99 -3.18 119.26 120.89 1h28 h ALA 93 Ca 0.42 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1h28 h ALA 93 Cb 0.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1h28 h ALA 93 CO -0.18 0.07 -0.12 0.43 0.00 0.00 0.00 179.25 179.44 1h28 n SER 94 N -3.19 2.61 -0.11 0.00 7.64 0.16 -4.72 113.62 116.01 1h28 n SER 94 Ca -0.00 -3.54 -0.12 0.00 1.01 0.00 0.00 58.87 56.22 1h28 n SER 94 Cb 0.30 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 1h28 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h28 h ALA 95 N 1.02 0.44 0.17 -0.43 0.00 -1.23 -0.72 119.26 118.51 1h28 h ALA 95 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1h28 h ALA 95 Cb 1.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1h28 h ALA 95 CO 0.23 0.32 -0.45 -0.07 0.00 0.00 0.00 179.25 179.28 1h28 h LEU 96 N 0.41 -1.30 0.13 0.00 3.38 -1.86 -3.38 115.31 112.69 1h28 h LEU 96 Ca 0.08 0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.87 1h28 h LEU 96 Cb 0.63 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1h28 h LEU 96 CO 0.04 -0.52 -1.56 0.74 0.09 0.00 0.00 178.44 177.23 1h28 h THR 97 N -0.71 1.13 0.00 0.22 2.02 -1.86 -3.51 112.91 110.19 1h28 h THR 97 Ca 0.01 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.43 1h28 h THR 97 Cb 0.72 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1h28 h THR 97 CO -0.22 0.82 0.00 0.61 0.37 0.00 0.00 175.52 177.10 1h28 n GLY 98 N 1.69 0.22 3.37 2.16 0.00 -0.28 -4.91 105.19 107.44 1h28 n GLY 98 Ca -0.17 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 1h28 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h28 s ILE 99 N -2.41 3.82 0.25 -0.61 1.01 -1.26 -4.96 121.20 117.04 1h28 s ILE 99 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 1h28 s ILE 99 Cb 0.00 -2.76 -0.15 0.00 0.01 0.00 0.00 42.46 39.56 1h28 s ILE 99 CO 0.00 0.38 0.93 -2.65 0.00 0.00 0.00 174.94 173.60 1h28 n PRO 100 N 4.86 1.03 -0.09 2.79 -0.02 -1.26 -4.75 135.00 137.55 1h28 n PRO 100 Ca -0.17 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.59 1h28 n PRO 100 Cb 0.51 -1.67 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 1h28 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h28 h LEU 101 N 1.98 -1.07 -1.29 2.45 5.85 -2.00 -2.76 115.31 118.48 1h28 h LEU 101 Ca -0.38 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1h28 h LEU 101 Cb 1.36 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1h28 h LEU 101 CO 0.61 -0.22 0.00 -0.81 -0.34 0.00 0.00 178.44 177.68 1h28 n PRO 102 N -4.21 0.16 0.16 5.25 -0.04 -1.26 -0.86 135.00 134.19 1h28 n PRO 102 Ca -0.02 0.59 -0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1h28 n PRO 102 Cb 0.19 -1.95 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1h28 n PRO 102 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1h28 h LEU 103 N 0.00 -0.39 -0.32 1.53 5.85 -1.84 -2.67 115.31 117.46 1h28 h LEU 103 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1h28 h LEU 103 Cb 0.09 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1h28 h LEU 103 CO 0.00 -0.03 -0.19 -0.38 -0.34 0.00 0.00 178.44 177.50 1h28 n ILE 104 N -4.60 -0.22 -0.33 4.05 5.41 -0.04 0.13 119.36 123.76 1h28 n ILE 104 Ca -0.06 1.29 -0.01 0.00 1.00 0.00 0.00 62.75 64.98 1h28 n ILE 104 Cb 0.18 -1.65 0.05 0.00 -0.71 0.00 0.00 39.64 37.51 1h28 n ILE 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1h28 h LYS 105 N 0.00 -0.04 -0.37 0.38 3.64 -1.20 0.36 116.57 119.34 1h28 h LYS 105 Ca 0.05 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1h28 h LYS 105 Cb 0.13 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1h28 h LYS 105 CO -0.30 -0.03 -0.24 1.03 -2.27 0.00 0.00 179.45 177.64 1h28 h SER 106 N -0.04 0.85 -0.70 4.20 0.87 -0.05 -1.84 113.55 116.85 1h28 h SER 106 Ca 0.33 -0.43 0.08 0.00 -1.23 0.00 0.00 61.79 60.55 1h28 h SER 106 Cb 0.60 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 1h28 h SER 106 CO -0.90 1.09 0.36 1.88 -0.53 0.00 0.00 176.83 178.73 1h28 h TYR 107 N 0.61 0.66 0.41 2.24 0.05 0.50 0.33 116.97 121.76 1h28 h TYR 107 Ca 0.07 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1h28 h TYR 107 Cb 0.80 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1h28 h TYR 107 CO 0.06 0.27 -0.20 1.25 -1.05 0.00 0.00 178.16 178.49 1h28 h LEU 108 N 0.64 -0.47 -0.94 3.88 5.85 -0.81 -1.84 115.31 121.62 1h28 h LEU 108 Ca 0.33 -0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.22 1h28 h LEU 108 Cb 0.30 0.12 -0.18 0.00 0.37 0.00 0.00 40.66 41.28 1h28 h LEU 108 CO -0.24 -0.23 -0.09 0.33 -0.34 0.00 0.00 178.44 177.87 1h28 n PHE 109 N -5.27 0.48 -0.24 1.25 7.35 -0.71 0.17 117.46 120.49 1h28 n PHE 109 Ca -0.11 1.14 -0.02 0.00 -0.76 0.00 0.00 57.45 57.70 1h28 n PHE 109 Cb 0.27 -1.13 0.09 0.00 0.35 0.00 0.00 39.48 39.06 1h28 n PHE 109 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1h28 h GLN 110 N 0.00 0.76 0.01 -4.13 4.20 -0.76 -2.45 115.11 112.74 1h28 h GLN 110 Ca 0.52 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.98 1h28 h GLN 110 Cb 0.96 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1h28 h GLN 110 CO -0.92 0.50 -0.91 -0.07 -0.67 0.00 0.00 178.83 176.76 1h28 h LEU 111 N 0.78 0.24 0.00 1.46 3.38 0.59 -1.35 115.31 120.41 1h28 h LEU 111 Ca 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1h28 h LEU 111 Cb 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1h28 h LEU 111 CO -0.15 1.02 -0.13 -0.07 0.09 0.00 0.00 178.44 179.21 1h28 h LEU 112 N 0.09 0.00 -0.40 1.67 3.38 -1.22 0.44 115.31 119.27 1h28 h LEU 112 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1h28 h LEU 112 Cb 1.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1h28 h LEU 112 CO 0.14 0.10 -0.22 -0.61 0.09 0.00 0.00 178.44 177.94 1h28 h GLN 113 N 0.00 0.85 0.19 1.13 4.15 -0.77 0.71 115.11 121.36 1h28 h GLN 113 Ca -0.00 -0.39 -0.29 0.00 0.77 0.00 0.00 58.65 58.74 1h28 h GLN 113 Cb 1.08 -0.02 0.02 0.00 0.21 0.00 0.00 27.48 28.77 1h28 h GLN 113 CO 0.01 1.03 -1.38 0.78 -1.93 0.00 0.00 178.83 177.35 1h28 h GLY 114 N 0.67 0.45 0.43 2.39 0.00 -1.35 -2.24 103.07 103.41 1h28 h GLY 114 Ca 0.08 -1.15 0.13 0.00 0.00 0.00 0.00 47.33 46.39 1h28 h GLY 114 CO 0.06 1.00 0.61 -2.00 0.00 0.00 0.00 176.54 176.22 1h28 h LEU 115 N -0.08 0.87 -0.69 3.11 5.85 -0.84 -1.10 115.31 122.43 1h28 h LEU 115 Ca -0.26 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1h28 h LEU 115 Cb 1.95 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1h28 h LEU 115 CO 0.18 0.45 0.18 0.00 -0.34 0.00 0.00 178.44 178.91 1h28 h ALA 116 N 1.54 0.91 -0.21 1.25 0.00 0.47 -2.43 119.26 120.79 1h28 h ALA 116 Ca 0.50 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1h28 h ALA 116 Cb 0.53 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1h28 h ALA 116 CO -0.28 0.62 -0.24 0.35 0.00 0.00 0.00 179.25 179.70 1h28 h PHE 117 N 1.03 -0.63 0.17 0.00 3.57 -0.59 -2.03 116.94 118.46 1h28 h PHE 117 Ca 0.22 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1h28 h PHE 117 Cb 0.35 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1h28 h PHE 117 CO 0.03 -0.32 -0.44 0.00 -2.23 0.00 0.00 178.31 175.35 1h28 h HIS 119 N -0.67 0.21 -1.07 0.00 3.86 -1.30 0.82 115.15 117.00 1h28 h HIS 119 Ca -0.02 0.03 0.36 0.00 -1.16 0.00 0.00 60.37 59.58 1h28 h HIS 119 Cb 0.65 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 29.01 1h28 h HIS 119 CO -0.39 0.02 0.71 0.43 0.86 0.00 0.00 177.93 179.56 1h28 n SER 120 N -5.08 0.13 -1.03 2.45 7.64 -0.78 -1.14 113.62 115.80 1h28 n SER 120 Ca 0.06 0.96 -0.03 0.00 1.01 0.00 0.00 58.87 60.87 1h28 n SER 120 Cb 0.25 -0.47 0.15 0.00 -1.01 0.00 0.00 64.21 63.13 1h28 n SER 120 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1h28 n HIS 121 N -4.01 0.84 -4.12 1.43 8.25 0.28 -4.95 115.22 112.94 1h28 n HIS 121 Ca 0.30 -1.72 -0.35 0.00 -0.26 0.00 0.00 57.72 55.69 1h28 n HIS 121 Cb 1.19 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.96 1h28 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h28 n ARG 122 N -1.00 -1.07 -4.15 -0.41 -4.01 -0.29 -4.93 116.66 100.80 1h28 n ARG 122 Ca 0.27 0.11 -0.31 0.00 -1.04 0.00 0.00 57.85 56.88 1h28 n ARG 122 Cb 0.78 -4.53 -0.08 0.00 -3.04 0.00 0.00 32.46 25.59 1h28 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h28 s VAL 123 N -2.98 4.21 -0.08 8.89 1.01 -0.95 -0.88 120.40 129.62 1h28 s VAL 123 Ca 0.68 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1h28 s VAL 123 Cb -0.40 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1h28 s VAL 123 CO 0.84 0.20 -0.24 -0.76 0.00 0.00 0.00 175.10 175.14 1h28 s LEU 124 N -2.09 2.12 -0.09 3.92 1.43 -0.35 -3.50 118.68 120.12 1h28 s LEU 124 Ca 0.25 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1h28 s LEU 124 Cb -0.12 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1h28 s LEU 124 CO 0.17 0.20 0.18 -0.74 0.23 0.00 0.00 176.35 176.39 1h28 h HIS 125 N 6.39 -0.09 -0.27 0.29 -0.00 -1.89 -2.25 115.15 117.33 1h28 h HIS 125 Ca -0.26 -0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.03 1h28 h HIS 125 Cb 1.21 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.62 1h28 h HIS 125 CO 0.45 0.01 -0.08 0.54 -0.00 0.00 0.00 177.93 178.85 1h28 n ARG 126 N -4.84 -0.30 -2.50 5.26 1.74 -1.26 -2.23 116.66 112.53 1h28 n ARG 126 Ca -0.02 0.57 -0.03 0.00 -0.77 0.00 0.00 57.85 57.59 1h28 n ARG 126 Cb 0.07 -4.25 0.09 0.00 -1.02 0.00 0.00 32.46 27.35 1h28 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h28 n ASP 127 N 1.31 -1.34 -4.74 0.55 -0.08 -1.26 -3.51 116.55 107.47 1h28 n ASP 127 Ca -0.04 -2.03 -0.41 0.00 -1.51 0.00 0.00 54.79 50.80 1h28 n ASP 127 Cb 0.21 0.73 -0.04 0.00 2.34 0.00 0.00 41.12 44.36 1h28 n ASP 127 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1h28 s LEU 128 N -2.96 4.51 0.00 -2.67 1.43 -1.26 -4.76 118.68 112.96 1h28 s LEU 128 Ca 0.11 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1h28 s LEU 128 Cb 0.31 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1h28 s LEU 128 CO -0.08 -0.17 0.00 2.29 0.23 0.00 0.00 176.35 178.61 1h28 n LYS 129 N 2.18 0.00 -0.21 1.70 2.85 -1.26 -4.86 118.16 118.55 1h28 n LYS 129 Ca 0.02 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.29 1h28 n LYS 129 Cb 0.46 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.94 1h28 n LYS 129 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1h28 h PRO 130 N 0.00 0.07 0.00 -1.58 0.11 -1.92 -1.90 132.00 126.78 1h28 h PRO 130 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1h28 h PRO 130 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1h28 h PRO 130 CO 0.00 0.05 0.11 -0.56 -0.21 0.00 0.00 178.00 177.39 1h28 h GLN 131 N 0.07 0.00 -0.39 1.05 -0.00 -1.94 -0.64 115.11 113.27 1h28 h GLN 131 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1h28 h GLN 131 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1h28 h GLN 131 CO -0.59 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.33 1h28 n ASN 132 N -2.72 4.06 -3.94 0.06 3.02 -0.72 -4.87 115.26 110.16 1h28 n ASN 132 Ca -0.02 -2.69 -0.30 0.00 -0.03 0.00 0.00 54.58 51.54 1h28 n ASN 132 Cb 0.16 -0.50 -0.16 0.00 -0.61 0.00 0.00 39.78 38.67 1h28 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h28 s LEU 133 N -2.25 2.11 0.05 3.41 1.43 -0.26 -0.61 118.68 122.57 1h28 s LEU 133 Ca 0.41 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1h28 s LEU 133 Cb 0.30 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1h28 s LEU 133 CO 0.14 -0.18 0.20 -0.76 0.23 0.00 0.00 176.35 175.97 1h28 s LEU 134 N 1.48 4.32 0.04 1.79 1.43 -0.52 -0.15 118.68 127.07 1h28 s LEU 134 Ca -0.02 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1h28 s LEU 134 Cb -0.17 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 1h28 s LEU 134 CO -0.08 0.18 -0.15 0.27 0.23 0.00 0.00 176.35 176.80 1h28 s ILE 135 N -1.48 1.21 0.41 -0.59 -4.36 0.72 -0.20 121.20 116.90 1h28 s ILE 135 Ca 0.34 -1.07 0.08 0.00 -0.26 0.00 0.00 60.65 59.74 1h28 s ILE 135 Cb -0.13 -1.09 -0.00 0.00 1.25 0.00 0.00 42.46 42.48 1h28 s ILE 135 CO 0.27 0.01 0.48 0.54 0.24 0.00 0.00 174.94 176.49 1h28 s ASN 136 N -1.21 5.47 0.05 4.36 2.20 -0.48 -2.18 114.94 123.15 1h28 s ASN 136 Ca 0.02 -0.51 -0.23 0.00 -0.94 0.00 0.00 52.86 51.21 1h28 s ASN 136 Cb -0.08 -0.70 -0.15 0.00 -2.00 0.00 0.00 41.25 38.32 1h28 s ASN 136 CO 0.01 -0.67 1.51 0.71 -2.94 0.00 0.00 177.10 175.72 1h28 h THR 137 N 0.82 1.22 0.00 0.54 1.35 -2.00 -3.18 112.91 111.66 1h28 h THR 137 Ca -0.41 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1h28 h THR 137 Cb 1.27 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1h28 h THR 137 CO 0.50 0.19 0.00 -1.84 -0.25 0.00 0.00 175.52 174.13 1h28 n GLU 138 N -4.87 0.57 0.00 4.72 0.28 -1.26 -4.33 120.64 115.75 1h28 n GLU 138 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1h28 n GLU 138 Cb 0.17 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1h28 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1h28 n GLY 139 N 0.09 1.37 3.78 -1.84 0.00 -1.20 -4.84 105.19 102.55 1h28 n GLY 139 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1h28 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h28 s ALA 140 N -2.00 3.19 -0.02 4.61 0.00 -1.26 -4.88 121.76 121.40 1h28 s ALA 140 Ca 0.00 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1h28 s ALA 140 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1h28 s ALA 140 CO 0.00 0.10 -0.21 -1.50 0.00 0.00 0.00 175.76 174.15 1h28 s ILE 141 N -1.63 1.66 -0.03 0.00 2.07 -1.26 -1.39 121.20 120.63 1h28 s ILE 141 Ca 0.52 -0.89 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1h28 s ILE 141 Cb -0.19 -1.39 0.03 0.00 0.13 0.00 0.00 42.46 41.04 1h28 s ILE 141 CO 0.25 0.47 0.04 -0.54 -1.91 0.00 0.00 174.94 173.24 1h28 s LYS 142 N -0.38 -0.04 -0.06 3.50 1.02 0.71 -4.71 119.74 119.78 1h28 s LYS 142 Ca 0.05 0.24 -0.35 0.00 0.02 0.00 0.00 55.97 55.94 1h28 s LYS 142 Cb -0.09 -0.33 -0.13 0.00 -0.52 0.00 0.00 37.83 36.76 1h28 s LYS 142 CO 0.00 -0.22 1.81 1.28 -0.92 0.00 0.00 175.35 177.30 1h28 n LEU 143 N 4.52 3.27 0.00 3.17 4.77 -1.12 -1.44 117.00 130.16 1h28 n LEU 143 Ca -0.21 1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1h28 n LEU 143 Cb 0.50 -1.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1h28 n LEU 143 CO 0.17 -0.14 -0.10 0.00 -1.33 0.00 0.00 177.39 175.99 1h28 n ALA 144 N 5.92 0.20 -1.87 -1.18 0.00 0.22 -0.61 120.51 123.19 1h28 n ALA 144 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1h28 n ALA 144 Cb 0.28 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1h28 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h28 n ASP 145 N -1.27 -4.49 -1.65 0.00 2.03 -1.26 -4.81 116.55 105.10 1h28 n ASP 145 Ca -0.08 0.53 -0.06 0.00 0.52 0.00 0.00 54.79 55.71 1h28 n ASP 145 Cb 0.27 -0.92 0.25 0.00 -0.72 0.00 0.00 41.12 40.01 1h28 n ASP 145 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1h28 n PHE 146 N 1.80 1.97 -0.27 -0.67 3.01 -1.26 -4.70 117.46 117.34 1h28 n PHE 146 Ca 0.00 -1.34 0.06 0.00 1.01 0.00 0.00 57.45 57.18 1h28 n PHE 146 Cb 0.04 -0.62 0.29 0.00 -0.01 0.00 0.00 39.48 39.18 1h28 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h28 h GLY 147 N 1.87 1.23 -2.25 1.37 0.00 -1.91 -2.02 103.07 101.35 1h28 h GLY 147 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1h28 h GLY 147 CO 0.63 0.23 0.00 1.04 0.00 0.00 0.00 176.54 178.44 1h28 n LEU 148 N -4.51 3.38 -4.52 3.11 4.77 -1.26 -4.77 117.00 113.20 1h28 n LEU 148 Ca 0.14 -1.52 -0.31 0.00 -0.03 0.00 0.00 56.01 54.29 1h28 n LEU 148 Cb 0.27 -0.30 0.19 0.00 -2.33 0.00 0.00 43.42 41.25 1h28 n LEU 148 CO 0.32 0.76 0.35 0.00 -1.33 0.00 0.00 177.39 177.49 1h28 n ALA 149 N 1.41 -2.13 -3.56 -1.18 0.00 -0.76 -4.63 120.51 109.65 1h28 n ALA 149 Ca 0.20 -0.83 -0.11 0.00 0.00 0.00 0.00 53.44 52.70 1h28 n ALA 149 Cb 0.58 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 1h28 n ALA 149 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1h28 s ARG 150 N -4.24 0.68 0.10 0.00 1.70 -0.84 -4.88 118.95 111.46 1h28 s ARG 150 Ca 0.64 0.10 -0.31 0.00 -0.47 0.00 0.00 55.73 55.69 1h28 s ARG 150 Cb -0.22 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 1h28 s ARG 150 CO 0.63 -0.22 1.27 0.00 -1.08 0.00 0.00 175.30 175.90 1h28 s ALA 151 N -1.39 3.48 0.29 7.88 0.00 -1.26 -1.21 121.76 129.55 1h28 s ALA 151 Ca -0.02 0.97 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1h28 s ALA 151 Cb -0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1h28 s ALA 151 CO 0.01 -0.50 0.26 -0.59 0.00 0.00 0.00 175.76 174.94 1h28 s PHE 152 N 0.92 3.02 0.32 0.00 -0.71 -0.06 -4.94 117.98 116.53 1h28 s PHE 152 Ca 0.60 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.32 1h28 s PHE 152 Cb -0.33 -1.62 0.03 0.00 -1.21 0.00 0.00 43.02 39.89 1h28 s PHE 152 CO 0.31 0.34 0.23 0.41 -1.34 0.00 0.00 175.22 175.16 1h28 n GLY 153 N -1.30 2.90 2.63 1.99 0.00 -1.26 -4.83 105.19 105.33 1h28 n GLY 153 Ca -0.05 -2.25 -0.27 0.00 0.00 0.00 0.00 46.02 43.46 1h28 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h28 s VAL 154 N -1.58 0.09 0.79 1.61 1.01 -1.26 -3.34 120.40 117.73 1h28 s VAL 154 Ca 0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1h28 s VAL 154 Cb -0.01 -0.80 0.18 0.00 0.00 0.00 0.00 36.38 35.75 1h28 s VAL 154 CO 0.11 -0.37 1.02 -0.81 0.00 0.00 0.00 175.10 175.05 1h28 n PRO 155 N 5.20 -1.22 -0.49 2.72 -0.04 -1.26 -5.13 135.00 134.78 1h28 n PRO 155 Ca -0.07 -1.59 -0.09 0.00 -0.04 0.00 0.00 63.50 61.71 1h28 n PRO 155 Cb 0.47 -1.10 0.07 0.00 -0.04 0.00 0.00 33.50 32.90 1h28 n PRO 155 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1h28 n VAL 156 N -3.56 0.00 -3.63 0.52 0.24 -1.21 -5.09 118.33 105.61 1h28 n VAL 156 Ca 0.13 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1h28 n VAL 156 Cb 0.45 -1.51 -0.07 0.00 -1.47 0.00 0.00 33.84 31.25 1h28 n VAL 156 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1h28 s ARG 157 N -3.87 0.91 -0.26 7.34 3.52 -1.26 -4.96 118.95 120.37 1h28 s ARG 157 Ca 0.24 -0.11 -0.38 0.00 -0.13 0.00 0.00 55.73 55.35 1h28 s ARG 157 Cb -0.01 0.42 -0.14 0.00 -1.56 0.00 0.00 34.95 33.66 1h28 s ARG 157 CO 0.17 -0.30 1.90 2.41 -0.81 0.00 0.00 175.30 178.68 1h28 n THR 158 N 0.82 0.34 0.00 4.11 -1.04 -1.26 -4.80 114.28 112.44 1h28 n THR 158 Ca -0.19 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1h28 n THR 158 Cb 0.58 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1h28 n THR 158 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1h28 n TYR 159 N 6.86 0.00 0.00 -1.42 4.01 -1.26 -5.11 117.16 120.23 1h28 n TYR 159 Ca 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1h28 n TYR 159 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1h28 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h28 n HIS 161 N -2.32 0.00 -0.47 -0.72 -0.00 -1.26 -5.08 115.22 105.37 1h28 n HIS 161 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 1h28 n HIS 161 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1h28 n HIS 161 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1h28 n GLU 162 N -1.84 1.19 -4.90 1.57 0.00 -1.26 -4.79 120.64 110.60 1h28 n GLU 162 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 57.16 56.00 1h28 n GLU 162 Cb 0.22 -2.05 -0.14 0.00 0.00 0.00 0.00 31.44 29.47 1h28 n GLU 162 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1h28 s VAL 163 N 3.14 2.59 0.29 3.84 1.01 -1.26 -4.91 120.40 125.10 1h28 s VAL 163 Ca 0.28 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1h28 s VAL 163 Cb 0.10 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1h28 s VAL 163 CO -0.01 0.46 0.00 0.52 0.00 0.00 0.00 175.10 176.07 1h28 n VAL 164 N 1.98 -4.26 -1.49 2.92 0.31 -1.23 -4.91 118.33 111.65 1h28 n VAL 164 Ca -0.16 1.81 -0.38 0.00 -0.01 0.00 0.00 64.34 65.60 1h28 n VAL 164 Cb 0.52 -2.63 0.05 0.00 -0.91 0.00 0.00 33.84 30.86 1h28 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h28 n THR 165 N -0.06 2.74 0.30 2.52 -1.04 -1.26 -4.74 114.28 112.74 1h28 n THR 165 Ca 0.00 -0.49 0.17 0.00 -2.04 0.00 0.00 64.05 61.69 1h28 n THR 165 Cb 0.00 -0.85 0.93 0.00 -1.82 0.00 0.00 70.33 68.59 1h28 n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1h28 h LEU 166 N 0.22 0.00 0.00 -4.42 5.85 -1.96 -2.46 115.31 112.54 1h28 h LEU 166 Ca -0.47 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.06 1h28 h LEU 166 Cb 1.38 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1h28 h LEU 166 CO 0.48 0.04 -1.67 0.79 -0.34 0.00 0.00 178.44 177.74 1h28 n TRP 167 N -3.48 0.70 -1.22 1.25 7.02 -1.26 -3.81 117.44 116.64 1h28 n TRP 167 Ca -0.02 0.24 0.02 0.00 -1.02 0.00 0.00 57.50 56.71 1h28 n TRP 167 Cb 0.15 -1.01 0.22 0.00 -2.42 0.00 0.00 31.31 28.25 1h28 n TRP 167 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1h28 n TYR 168 N -2.80 0.98 -3.53 -5.99 4.02 -0.96 -4.56 117.16 104.32 1h28 n TYR 168 Ca -0.14 -1.24 -0.41 0.00 -0.01 0.00 0.00 57.90 56.10 1h28 n TYR 168 Cb 0.88 -0.40 -0.11 0.00 -0.02 0.00 0.00 39.34 39.70 1h28 n TYR 168 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1h28 s ARG 169 N -3.04 3.06 1.14 -0.72 3.52 -1.01 -4.12 118.95 117.77 1h28 s ARG 169 Ca 0.43 -0.94 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 1h28 s ARG 169 Cb 0.37 -3.85 0.18 0.00 -1.56 0.00 0.00 34.95 30.09 1h28 s ARG 169 CO 0.04 -0.65 0.45 0.00 -0.81 0.00 0.00 175.30 174.33 1h28 n ALA 170 N 5.09 -3.56 -0.05 6.12 0.00 -1.26 -4.72 120.51 122.12 1h28 n ALA 170 Ca -0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 53.44 51.98 1h28 n ALA 170 Cb 0.47 -1.73 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 1h28 n ALA 170 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h28 h PRO 171 N -2.31 0.36 -0.64 0.00 0.11 -1.97 -2.94 132.00 124.61 1h28 h PRO 171 Ca -0.57 -0.20 0.13 0.00 0.11 0.00 0.00 66.00 65.48 1h28 h PRO 171 Cb 1.35 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.36 1h28 h PRO 171 CO 0.43 0.76 0.04 1.05 -0.21 0.00 0.00 178.00 180.07 1h28 h GLU 172 N -0.03 0.15 0.00 1.05 9.09 -1.91 0.13 114.58 123.06 1h28 h GLU 172 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 1h28 h GLU 172 Cb 0.71 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 1h28 h GLU 172 CO 0.04 0.10 0.00 -0.89 0.05 0.00 0.00 179.01 178.31 1h28 n ILE 173 N -5.25 0.00 -0.04 -1.06 5.41 -1.22 -1.51 119.36 115.69 1h28 n ILE 173 Ca 0.10 1.04 0.03 0.00 1.00 0.00 0.00 62.75 64.91 1h28 n ILE 173 Cb 0.38 -1.81 0.05 0.00 -0.71 0.00 0.00 39.64 37.55 1h28 n ILE 173 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1h28 n LEU 174 N -0.85 0.02 -0.13 1.39 4.77 -0.63 0.39 117.00 121.96 1h28 n LEU 174 Ca 0.00 0.18 0.15 0.00 -0.03 0.00 0.00 56.01 56.31 1h28 n LEU 174 Cb 0.00 -0.08 0.72 0.00 -2.33 0.00 0.00 43.42 41.73 1h28 n LEU 174 CO 0.00 -0.19 0.96 0.18 -1.33 0.00 0.00 177.39 177.01 1h28 n LEU 175 N -3.52 0.44 0.00 2.23 4.77 0.36 -4.86 117.00 116.42 1h28 n LEU 175 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1h28 n LEU 175 Cb 0.11 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1h28 n LEU 175 CO -0.00 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1h28 n GLY 176 N 1.18 0.38 3.74 -0.72 0.00 1.26 0.55 105.19 111.58 1h28 n GLY 176 Ca 0.18 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1h28 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h28 h LYS 178 N 0.31 -0.04 -5.92 0.00 3.64 -1.93 -3.43 116.57 109.19 1h28 h LYS 178 Ca -0.49 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.23 1h28 h LYS 178 Cb 1.29 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 1h28 h LYS 178 CO 0.53 0.20 -0.56 0.71 -2.27 0.00 0.00 179.45 178.05 1h28 s TYR 179 N -5.24 3.33 0.14 1.91 2.02 -1.26 -4.50 117.35 113.75 1h28 s TYR 179 Ca -0.14 0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 1h28 s TYR 179 Cb 0.04 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1h28 s TYR 179 CO 0.66 0.57 0.33 1.52 -1.57 0.00 0.00 175.55 177.06 1h28 s TYR 180 N -1.10 0.11 0.00 2.71 -0.85 -1.26 -4.96 117.35 112.00 1h28 s TYR 180 Ca 0.19 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 1h28 s TYR 180 Cb -0.12 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1h28 s TYR 180 CO 0.09 -0.71 0.00 0.45 -1.52 0.00 0.00 175.55 173.86 1h28 n SER 181 N -0.20 0.00 -0.45 -0.18 2.88 -1.26 -4.82 113.62 109.58 1h28 n SER 181 Ca -0.12 0.00 0.37 0.00 -1.33 0.00 0.00 58.87 57.80 1h28 n SER 181 Cb 0.63 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.70 1h28 n SER 181 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1h28 n THR 182 N 0.00 -0.18 0.29 2.46 -2.24 -1.26 -0.58 114.28 112.77 1h28 n THR 182 Ca 0.00 1.52 0.17 0.00 -2.27 0.00 0.00 64.05 63.47 1h28 n THR 182 Cb 0.00 -2.50 0.71 0.00 -2.10 0.00 0.00 70.33 66.45 1h28 n THR 182 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h28 h ALA 183 N 1.29 1.00 0.88 6.98 0.00 -1.94 -2.68 119.26 124.78 1h28 h ALA 183 Ca 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.64 1h28 h ALA 183 Cb 2.63 0.00 0.01 0.00 0.00 0.00 0.00 17.79 20.42 1h28 h ALA 183 CO -0.33 0.00 -0.43 -0.39 0.00 0.00 0.00 179.25 178.09 1h28 h VAL 184 N 0.00 0.12 -0.82 0.00 -1.51 -1.25 -2.73 116.25 110.06 1h28 h VAL 184 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.67 1h28 h VAL 184 Cb 0.47 0.12 -0.14 0.00 -2.13 0.00 0.00 31.29 29.61 1h28 h VAL 184 CO 0.00 0.00 0.06 0.44 -1.23 0.00 0.00 177.57 176.84 1h28 h ASP 185 N -1.19 -0.29 0.44 4.19 5.19 -1.64 -0.75 116.42 122.36 1h28 h ASP 185 Ca -0.12 0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1h28 h ASP 185 Cb 0.92 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 1h28 h ASP 185 CO 0.19 -0.20 -0.36 0.40 -3.12 0.00 0.00 179.24 176.15 1h28 h ILE 186 N 0.12 0.26 -0.99 0.35 1.08 -1.53 -2.45 117.51 114.34 1h28 h ILE 186 Ca 0.47 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 65.24 1h28 h ILE 186 Cb 0.89 0.26 -0.18 0.00 -3.07 0.00 0.00 36.82 34.72 1h28 h ILE 186 CO -0.70 0.00 0.12 -0.25 -0.69 0.00 0.00 178.15 176.63 1h28 h TRP 187 N -0.80 0.11 0.27 1.37 2.91 -0.82 -1.26 115.95 117.72 1h28 h TRP 187 Ca -0.04 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1h28 h TRP 187 Cb 0.69 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.46 1h28 h TRP 187 CO -0.17 -0.43 -0.13 0.77 -1.03 0.00 0.00 178.44 177.44 1h28 h SER 188 N 0.02 -0.32 -0.38 2.65 0.02 -1.30 -2.57 113.55 111.67 1h28 h SER 188 Ca 0.64 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.66 1h28 h SER 188 Cb 1.39 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 1h28 h SER 188 CO -0.89 -0.22 -0.14 0.18 -1.14 0.00 0.00 176.83 174.62 1h28 n LEU 189 N -3.02 -0.23 -0.18 5.07 4.77 -0.57 0.38 117.00 123.22 1h28 n LEU 189 Ca -0.05 0.66 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1h28 n LEU 189 Cb 0.15 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1h28 n LEU 189 CO 0.11 -0.60 0.49 1.23 -1.33 0.00 0.00 177.39 177.29 1h28 h GLY 190 N 0.00 -1.62 2.00 -0.72 0.00 -1.18 2.48 103.07 104.04 1h28 h GLY 190 Ca 0.14 0.91 0.00 0.00 0.00 0.00 0.00 47.33 48.37 1h28 h GLY 190 CO -0.38 -0.43 0.00 0.00 0.00 0.00 0.00 176.54 175.73 1h28 h ILE 192 N 0.00 0.90 0.41 0.00 2.04 0.38 -2.40 117.51 118.84 1h28 h ILE 192 Ca 0.00 -2.42 -0.01 0.00 1.00 0.00 0.00 64.86 63.43 1h28 h ILE 192 Cb 0.02 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1h28 h ILE 192 CO 0.00 0.80 -0.42 0.15 0.00 0.00 0.00 178.15 178.67 1h28 h PHE 193 N -0.09 -1.18 -0.39 1.37 3.04 0.76 -1.02 116.94 119.44 1h28 h PHE 193 Ca -0.35 0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.68 1h28 h PHE 193 Cb 1.94 0.46 -0.07 0.00 2.56 0.00 0.00 35.95 40.84 1h28 h PHE 193 CO 0.11 -0.56 -0.03 0.00 -2.02 0.00 0.00 178.31 175.81 1h28 h ALA 194 N -1.04 0.32 -0.63 2.41 0.00 -0.91 -0.90 119.26 118.51 1h28 h ALA 194 Ca -0.05 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1h28 h ALA 194 Cb 0.73 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1h28 h ALA 194 CO -0.06 -0.41 0.44 1.49 0.00 0.00 0.00 179.25 180.71 1h28 h GLU 195 N 0.07 0.12 -0.42 0.00 4.81 -1.05 0.18 114.58 118.29 1h28 h GLU 195 Ca 0.19 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 1h28 h GLU 195 Cb 0.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1h28 h GLU 195 CO -0.34 0.08 -0.24 0.52 -0.73 0.00 0.00 179.01 178.30 1h28 h MET 196 N 0.12 0.90 0.67 1.92 2.86 0.18 -1.56 114.93 120.02 1h28 h MET 196 Ca 0.30 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1h28 h MET 196 Cb 1.03 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.67 1h28 h MET 196 CO -0.04 1.06 -0.32 0.28 1.06 0.00 0.00 176.91 178.96 1h28 h VAL 197 N 0.73 0.00 0.00 -2.22 2.07 -0.45 -3.34 116.25 113.04 1h28 h VAL 197 Ca 0.09 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1h28 h VAL 197 Cb 0.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1h28 h VAL 197 CO 0.07 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.37 1h28 h THR 198 N -1.02 0.00 0.00 2.57 1.35 -1.23 -3.47 112.91 111.11 1h28 h THR 198 Ca -0.09 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1h28 h THR 198 Cb 0.69 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1h28 h THR 198 CO 0.15 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 1h28 n ARG 199 N -3.08 -1.41 -4.53 4.72 1.74 -0.58 -5.00 116.66 108.51 1h28 n ARG 199 Ca 0.01 0.33 -0.26 0.00 -0.77 0.00 0.00 57.85 57.16 1h28 n ARG 199 Cb 0.33 -4.64 -0.10 0.00 -1.02 0.00 0.00 32.46 27.03 1h28 n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h28 s ARG 200 N -1.58 1.80 0.16 5.56 1.70 -1.26 -4.91 118.95 120.42 1h28 s ARG 200 Ca 0.00 -1.93 -0.32 0.00 -0.47 0.00 0.00 55.73 53.02 1h28 s ARG 200 Cb 0.00 -1.66 -0.10 0.00 -0.57 0.00 0.00 34.95 32.62 1h28 s ARG 200 CO 0.00 0.13 1.60 0.00 -1.08 0.00 0.00 175.30 175.95 1h28 s ALA 201 N -2.64 3.79 0.19 7.88 0.00 -1.26 -4.39 121.76 125.32 1h28 s ALA 201 Ca 0.32 1.38 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 1h28 s ALA 201 Cb 0.03 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.61 1h28 s ALA 201 CO 0.16 -0.83 1.84 1.25 0.00 0.00 0.00 175.76 178.18 1h28 h LEU 202 N 6.98 0.64 -6.42 0.00 5.85 -1.92 -3.36 115.31 117.08 1h28 h LEU 202 Ca -0.43 -0.01 -0.59 0.00 0.84 0.00 0.00 57.88 57.69 1h28 h LEU 202 Cb 1.20 -0.15 -0.40 0.00 0.37 0.00 0.00 40.66 41.68 1h28 h LEU 202 CO 0.92 0.45 -0.83 0.49 -0.34 0.00 0.00 178.44 179.13 1h28 n PHE 203 N -4.71 1.16 -2.83 1.25 3.72 -1.26 -5.01 117.46 109.78 1h28 n PHE 203 Ca 0.04 -3.79 -0.43 0.00 -0.05 0.00 0.00 57.45 53.23 1h28 n PHE 203 Cb 0.04 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 1h28 n PHE 203 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1h28 s PRO 204 N -1.14 3.14 0.47 -1.08 0.04 -1.26 -4.54 135.00 130.63 1h28 s PRO 204 Ca 0.33 -0.72 0.08 0.00 0.04 0.00 0.00 61.00 60.73 1h28 s PRO 204 Cb 0.07 -4.20 0.01 0.00 0.04 0.00 0.00 34.50 30.42 1h28 s PRO 204 CO -0.13 -1.81 0.49 0.20 0.04 0.00 0.00 177.00 175.79 1h28 s GLY 205 N 3.59 2.07 -0.06 0.56 0.00 -1.26 -4.97 107.32 107.25 1h28 s GLY 205 Ca 0.24 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.26 1h28 s GLY 205 CO 0.12 -1.70 1.01 2.09 0.00 0.00 0.00 173.10 174.62 1h28 n ASP 206 N -1.76 1.50 -3.77 1.64 5.68 -1.26 -4.95 116.55 113.62 1h28 n ASP 206 Ca 0.06 -2.35 -0.05 0.00 -0.50 0.00 0.00 54.79 51.95 1h28 n ASP 206 Cb 0.62 -0.23 -0.01 0.00 -1.14 0.00 0.00 41.12 40.35 1h28 n ASP 206 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h28 s SER 207 N -1.69 -0.20 0.57 -1.12 0.15 -1.26 -5.01 113.70 105.14 1h28 s SER 207 Ca 0.14 -0.50 0.25 0.00 0.70 0.00 0.00 55.95 56.54 1h28 s SER 207 Cb 0.12 0.58 1.62 0.00 -1.71 0.00 0.00 66.02 66.63 1h28 s SER 207 CO 0.01 -1.08 2.19 -0.33 1.20 0.00 0.00 173.24 175.23 1h28 h GLU 208 N 2.00 0.00 0.00 5.44 5.08 -1.97 -0.93 114.58 124.20 1h28 h GLU 208 Ca -0.22 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.92 1h28 h GLU 208 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1h28 h GLU 208 CO 0.25 0.00 -1.21 0.97 -1.00 0.00 0.00 179.01 178.02 1h28 h ILE 209 N 0.00 0.94 -0.87 3.13 2.10 -1.97 -2.53 117.51 118.31 1h28 h ILE 209 Ca 0.03 -2.18 0.17 0.00 1.08 0.00 0.00 64.86 63.95 1h28 h ILE 209 Cb 0.14 2.25 -0.07 0.00 -1.09 0.00 0.00 36.82 38.05 1h28 h ILE 209 CO -0.00 0.32 0.57 -0.78 -1.08 0.00 0.00 178.15 177.18 1h28 h ASP 210 N -1.00 0.53 0.14 2.19 3.58 -1.94 0.46 116.42 120.36 1h28 h ASP 210 Ca -0.33 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 1h28 h ASP 210 Cb 1.29 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1h28 h ASP 210 CO -0.20 0.25 -0.07 -0.61 -2.88 0.00 0.00 179.24 175.73 1h28 h GLN 211 N 0.55 -0.18 -0.84 0.28 5.75 -1.29 -0.22 115.11 119.16 1h28 h GLN 211 Ca 0.45 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 59.14 1h28 h GLN 211 Cb 0.90 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.43 1h28 h GLN 211 CO -0.19 0.18 0.56 -0.07 -2.65 0.00 0.00 178.83 176.66 1h28 h LEU 212 N -0.56 0.39 0.03 -2.39 3.38 -0.66 -1.47 115.31 114.03 1h28 h LEU 212 Ca -0.02 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1h28 h LEU 212 Cb 0.44 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1h28 h LEU 212 CO 0.03 0.18 -0.33 -0.26 0.09 0.00 0.00 178.44 178.15 1h28 h PHE 213 N 0.40 0.27 -0.99 1.13 0.04 0.43 -0.96 116.94 117.26 1h28 h PHE 213 Ca 0.42 -0.17 0.24 0.00 2.80 0.00 0.00 57.97 61.27 1h28 h PHE 213 Cb 1.04 -0.02 -0.12 0.00 2.20 0.00 0.00 35.95 39.04 1h28 h PHE 213 CO -0.00 1.05 0.57 0.00 -0.60 0.00 0.00 178.31 179.33 1h28 h ARG 214 N -0.59 0.54 -0.40 1.51 3.08 -0.86 0.41 114.38 118.06 1h28 h ARG 214 Ca -0.05 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1h28 h ARG 214 Cb 1.17 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1h28 h ARG 214 CO 0.06 0.36 -0.12 0.82 -1.07 0.00 0.00 179.97 180.02 1h28 h ILE 215 N 0.56 1.28 -0.05 2.04 2.04 -0.99 -2.94 117.51 119.45 1h28 h ILE 215 Ca 0.63 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 1h28 h ILE 215 Cb 1.20 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1h28 h ILE 215 CO -0.48 0.41 -0.06 -0.26 0.00 0.00 0.00 178.15 177.76 1h28 h PHE 216 N 0.61 0.16 -0.76 1.37 -1.00 0.45 -1.08 116.94 116.70 1h28 h PHE 216 Ca 0.10 -0.05 0.17 0.00 2.81 0.00 0.00 57.97 61.00 1h28 h PHE 216 Cb 0.65 -0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.05 1h28 h PHE 216 CO 0.05 0.60 0.00 0.00 -1.61 0.00 0.00 178.31 177.36 1h28 h ARG 217 N -0.32 0.10 0.05 1.51 3.08 -0.33 1.08 114.38 119.54 1h28 h ARG 217 Ca 0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h28 h ARG 217 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1h28 h ARG 217 CO 0.01 0.06 -0.03 1.15 -1.07 0.00 0.00 179.97 180.10 1h28 h THR 218 N 0.10 1.25 0.00 2.04 2.02 -1.51 -3.38 112.91 113.43 1h28 h THR 218 Ca 0.41 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1h28 h THR 218 Cb 0.73 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1h28 h THR 218 CO -0.67 0.27 -1.53 0.18 0.37 0.00 0.00 175.52 174.15 1h28 n LEU 219 N -4.89 0.43 0.00 2.58 4.77 -0.41 -1.66 117.00 117.82 1h28 n LEU 219 Ca -0.09 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1h28 n LEU 219 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1h28 n LEU 219 CO 0.32 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1h28 n GLY 220 N 1.38 -0.83 3.56 -0.72 0.00 0.37 -4.06 105.19 104.89 1h28 n GLY 220 Ca -0.00 -1.29 -0.50 0.00 0.00 0.00 0.00 46.02 44.22 1h28 n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h28 n THR 221 N 0.51 0.81 -1.64 2.61 -1.04 -0.87 -4.80 114.28 109.86 1h28 n THR 221 Ca 0.00 -0.20 -0.32 0.00 -2.04 0.00 0.00 64.05 61.49 1h28 n THR 221 Cb 0.00 -0.72 0.05 0.00 -1.82 0.00 0.00 70.33 67.84 1h28 n THR 221 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1h28 s PRO 222 N -0.32 2.82 0.35 -2.82 0.04 -1.26 -4.88 135.00 128.93 1h28 s PRO 222 Ca 0.75 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1h28 s PRO 222 Cb -0.90 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1h28 s PRO 222 CO 0.52 -1.21 0.42 0.16 0.04 0.00 0.00 177.00 176.94 1h28 s ASP 223 N -3.18 1.23 0.58 6.66 1.47 -1.26 -5.00 116.67 117.17 1h28 s ASP 223 Ca 0.62 -1.60 0.35 0.00 1.18 0.00 0.00 52.55 53.10 1h28 s ASP 223 Cb -0.17 0.64 1.74 0.00 -0.34 0.00 0.00 42.92 44.80 1h28 s ASP 223 CO 0.48 -1.25 2.14 -0.33 0.68 0.00 0.00 175.17 176.89 1h28 h GLU 224 N 2.09 0.00 0.17 2.11 4.39 -1.98 0.91 114.58 122.28 1h28 h GLU 224 Ca -0.27 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1h28 h GLU 224 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1h28 h GLU 224 CO 0.38 0.04 -0.08 0.28 -1.16 0.00 0.00 179.01 178.47 1h28 h VAL 225 N 0.00 0.92 0.00 3.13 2.07 -1.99 -3.04 116.25 117.34 1h28 h VAL 225 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1h28 h VAL 225 Cb 0.29 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1h28 h VAL 225 CO 0.01 0.10 -1.20 0.55 0.02 0.00 0.00 177.57 177.05 1h28 n VAL 226 N -5.10 0.31 -3.19 2.57 3.14 -0.78 -4.52 118.33 110.77 1h28 n VAL 226 Ca -0.09 -0.41 -0.21 0.00 -2.96 0.00 0.00 64.34 60.67 1h28 n VAL 226 Cb 0.18 -0.06 -0.06 0.00 -1.06 0.00 0.00 33.84 32.84 1h28 n VAL 226 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1h28 n TRP 227 N -2.30 -1.61 -1.24 1.45 -0.00 0.25 -4.49 117.44 109.50 1h28 n TRP 227 Ca 0.00 -2.84 -0.52 0.00 -0.00 0.00 0.00 57.50 54.13 1h28 n TRP 227 Cb 0.51 0.51 -0.09 0.00 -0.00 0.00 0.00 31.31 32.23 1h28 n TRP 227 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1h28 n PRO 228 N 2.58 0.00 0.00 5.87 -0.02 -1.15 -1.94 135.00 140.34 1h28 n PRO 228 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1h28 n PRO 228 Cb 0.51 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1h28 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h28 n GLY 229 N 4.53 2.14 0.33 -1.23 0.00 -1.26 -5.00 105.19 104.70 1h28 n GLY 229 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1h28 n GLY 229 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h28 n VAL 230 N -0.82 -0.50 1.35 1.61 0.31 -0.82 -1.50 118.33 117.96 1h28 n VAL 230 Ca 0.00 1.99 0.04 0.00 -0.01 0.00 0.00 64.34 66.36 1h28 n VAL 230 Cb 0.00 -2.55 0.25 0.00 -0.91 0.00 0.00 33.84 30.64 1h28 n VAL 230 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1h28 n THR 231 N -5.15 0.00 0.33 2.52 -2.24 -1.26 -2.44 114.28 106.04 1h28 n THR 231 Ca 0.06 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1h28 n THR 231 Cb 0.28 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1h28 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h28 n SER 232 N -0.70 0.76 -4.80 3.42 7.64 -0.56 -4.94 113.62 114.44 1h28 n SER 232 Ca 0.06 -0.88 -0.35 0.00 1.01 0.00 0.00 58.87 58.71 1h28 n SER 232 Cb 0.03 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 63.84 1h28 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1h28 s MET 233 N -1.33 4.37 0.01 1.43 -1.94 -1.02 -4.90 119.30 115.92 1h28 s MET 233 Ca 0.05 1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 55.14 1h28 s MET 233 Cb 0.06 -2.58 -0.00 0.00 2.01 0.00 0.00 34.83 34.31 1h28 s MET 233 CO 0.23 0.19 0.15 -2.30 -0.01 0.00 0.00 175.02 173.27 1h28 n PRO 234 N 0.11 -0.03 -0.65 2.03 -0.02 -1.24 -1.46 135.00 133.76 1h28 n PRO 234 Ca 0.03 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1h28 n PRO 234 Cb 0.52 -0.22 0.28 0.00 -0.02 0.00 0.00 33.50 34.06 1h28 n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1h28 n ASP 235 N -3.12 4.13 -4.71 2.55 8.00 0.19 -4.92 116.55 118.67 1h28 n ASP 235 Ca 0.00 -3.14 -0.42 0.00 0.71 0.00 0.00 54.79 51.94 1h28 n ASP 235 Cb 0.02 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1h28 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h28 s TYR 236 N -2.91 3.31 -0.14 1.24 5.04 -0.53 -4.88 117.35 118.48 1h28 s TYR 236 Ca 0.46 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 56.30 1h28 s TYR 236 Cb 0.38 -3.47 0.02 0.00 0.35 0.00 0.00 41.96 39.23 1h28 s TYR 236 CO 0.09 -1.52 -0.16 0.15 -1.34 0.00 0.00 175.55 172.77 1h28 s LYS 237 N 1.42 2.42 0.00 4.97 -0.14 -1.26 -4.81 119.74 122.34 1h28 s LYS 237 Ca 0.59 -0.62 0.25 0.00 -1.36 0.00 0.00 55.97 54.84 1h28 s LYS 237 Cb -0.30 -2.11 1.49 0.00 -1.68 0.00 0.00 37.83 35.24 1h28 s LYS 237 CO 0.28 -0.15 1.90 -0.35 -0.76 0.00 0.00 175.35 176.26 1h28 n PRO 238 N 4.48 0.88 0.19 -1.68 -0.04 -1.26 -1.56 135.00 136.01 1h28 n PRO 238 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1h28 n PRO 238 Cb 0.51 -1.44 0.39 0.00 -0.04 0.00 0.00 33.50 32.91 1h28 n PRO 238 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1h28 h SER 239 N 0.00 0.00 -0.37 3.54 4.64 -2.03 -3.46 113.55 115.87 1h28 h SER 239 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1h28 h SER 239 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1h28 h SER 239 CO 0.00 0.36 0.06 0.49 -0.87 0.00 0.00 176.83 176.87 1h28 n PHE 240 N -3.88 0.31 -1.74 4.77 3.72 -0.60 -4.85 117.46 115.18 1h28 n PHE 240 Ca -0.01 0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 57.37 1h28 n PHE 240 Cb 0.42 -0.78 -0.02 0.00 -0.94 0.00 0.00 39.48 38.16 1h28 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1h28 n PRO 241 N 0.72 2.74 -2.56 -1.08 -0.02 -1.26 -4.95 135.00 128.59 1h28 n PRO 241 Ca 0.08 0.98 -0.43 0.00 -2.02 0.00 0.00 63.50 62.11 1h28 n PRO 241 Cb 0.02 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 1h28 n PRO 241 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1h28 n LYS 242 N 2.40 3.44 -2.77 -0.52 4.76 -1.26 -4.57 118.16 119.65 1h28 n LYS 242 Ca 0.09 -3.58 -0.30 0.00 -2.87 0.00 0.00 58.31 51.66 1h28 n LYS 242 Cb 0.37 -3.03 -0.02 0.00 -1.84 0.00 0.00 35.03 30.50 1h28 n LYS 242 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1h28 s TRP 243 N 1.29 3.50 0.20 2.13 0.51 -1.26 -4.91 118.94 120.40 1h28 s TRP 243 Ca 0.42 0.99 0.05 0.00 -2.12 0.00 0.00 56.10 55.44 1h28 s TRP 243 Cb 0.05 -2.41 -0.04 0.00 -0.81 0.00 0.00 33.47 30.26 1h28 s TRP 243 CO 0.00 -0.17 0.22 0.00 -0.51 0.00 0.00 176.95 176.49 1h28 s ALA 244 N -2.49 3.70 0.65 0.98 0.00 -1.26 -2.05 121.76 121.29 1h28 s ALA 244 Ca 0.50 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 1h28 s ALA 244 Cb -0.10 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1h28 s ALA 244 CO 0.36 0.38 0.93 -2.13 0.00 0.00 0.00 175.76 175.31 1h28 n ARG 245 N -0.82 0.71 -3.99 0.00 0.63 -1.26 -4.31 116.66 107.63 1h28 n ARG 245 Ca -0.08 0.29 -0.27 0.00 -0.92 0.00 0.00 57.85 56.87 1h28 n ARG 245 Cb 0.56 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 31.27 1h28 n ARG 245 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1h28 s GLN 246 N -2.96 3.26 0.15 -0.14 -1.52 -0.66 -4.91 119.66 112.87 1h28 s GLN 246 Ca 0.75 -0.66 -0.30 0.00 -1.95 0.00 0.00 55.36 53.20 1h28 s GLN 246 Cb -0.39 -2.87 -0.07 0.00 -0.22 0.00 0.00 33.01 29.46 1h28 s GLN 246 CO 0.48 0.52 1.03 0.34 -0.25 0.00 0.00 175.29 177.41 1h28 s ASP 247 N -3.07 7.40 0.40 5.90 2.15 -1.26 -4.91 116.67 123.27 1h28 s ASP 247 Ca 0.33 1.95 0.07 0.00 0.43 0.00 0.00 52.55 55.33 1h28 s ASP 247 Cb -0.11 -2.60 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 1h28 s ASP 247 CO 0.27 -0.12 2.03 -0.26 -0.17 0.00 0.00 175.17 176.92 1h28 h PHE 248 N 5.26 0.59 0.00 -5.34 -1.00 -1.97 0.12 116.94 114.59 1h28 h PHE 248 Ca -0.44 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.36 1h28 h PHE 248 Cb 1.21 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 1h28 h PHE 248 CO 0.63 0.36 -0.00 0.66 -1.61 0.00 0.00 178.31 178.35 1h28 h SER 249 N 0.62 0.00 0.83 2.17 4.64 -1.91 0.93 113.55 120.84 1h28 h SER 249 Ca 0.19 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.27 1h28 h SER 249 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1h28 h SER 249 CO -0.05 0.00 -1.16 0.11 -0.87 0.00 0.00 176.83 174.86 1h28 h LYS 250 N 0.00 0.08 0.19 4.77 1.57 -1.35 -2.57 116.57 119.26 1h28 h LYS 250 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1h28 h LYS 250 Cb 0.03 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1h28 h LYS 250 CO 0.00 1.01 -0.09 0.28 -0.57 0.00 0.00 179.45 180.08 1h28 h VAL 251 N 0.02 0.81 -2.17 0.50 2.07 0.11 -3.41 116.25 114.18 1h28 h VAL 251 Ca -0.08 -1.02 -0.56 0.00 0.82 0.00 0.00 66.70 65.86 1h28 h VAL 251 Cb 1.86 1.33 -0.41 0.00 -1.52 0.00 0.00 31.29 32.54 1h28 h VAL 251 CO 0.14 0.20 -0.82 1.33 0.02 0.00 0.00 177.57 178.44 1h28 n VAL 252 N -4.97 1.78 -0.19 2.57 0.24 0.27 -4.95 118.33 113.07 1h28 n VAL 252 Ca -0.08 -5.13 -0.05 0.00 -2.04 0.00 0.00 64.34 57.04 1h28 n VAL 252 Cb 0.26 -1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 31.32 1h28 n VAL 252 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1h28 n PRO 253 N 0.22 -0.20 -0.18 7.34 -0.02 -0.97 -1.18 135.00 140.01 1h28 n PRO 253 Ca 0.28 1.21 0.21 0.00 -2.02 0.00 0.00 63.50 63.19 1h28 n PRO 253 Cb 0.48 -1.80 0.59 0.00 -0.02 0.00 0.00 33.50 32.75 1h28 n PRO 253 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1h28 h PRO 254 N 0.00 0.24 -6.78 0.52 0.11 -1.94 -3.42 132.00 120.72 1h28 h PRO 254 Ca 0.07 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.61 1h28 h PRO 254 Cb 0.19 -0.05 0.10 0.00 0.11 0.00 0.00 31.00 31.34 1h28 h PRO 254 CO -0.43 0.16 0.69 -0.11 -0.21 0.00 0.00 178.00 178.10 1h28 n LEU 255 N -4.43 4.01 0.00 2.35 7.94 -0.33 -5.01 117.00 121.53 1h28 n LEU 255 Ca 0.17 1.19 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1h28 n LEU 255 Cb 0.72 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 43.13 1h28 n LEU 255 CO 0.34 -0.16 0.00 -0.90 -1.11 0.00 0.00 177.39 175.56 1h28 n ASP 256 N 1.24 -0.17 -0.03 1.96 5.68 -1.26 -4.81 116.55 119.16 1h28 n ASP 256 Ca 0.06 -0.71 -0.14 0.00 -0.50 0.00 0.00 54.79 53.50 1h28 n ASP 256 Cb 0.36 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.32 1h28 n ASP 256 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1h28 h GLU 257 N 0.00 0.74 -0.28 0.11 4.81 -1.98 -2.67 114.58 115.31 1h28 h GLU 257 Ca 0.00 -0.52 -0.13 0.00 -0.13 0.00 0.00 59.36 58.58 1h28 h GLU 257 Cb 0.00 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1h28 h GLU 257 CO 0.00 1.14 -0.32 -0.44 -0.73 0.00 0.00 179.01 178.66 1h28 h ASP 258 N 0.54 0.76 0.06 1.04 3.32 -2.00 -3.00 116.42 117.15 1h28 h ASP 258 Ca -0.01 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1h28 h ASP 258 Cb 1.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1h28 h ASP 258 CO 0.13 1.10 -0.13 1.23 -1.72 0.00 0.00 179.24 179.85 1h28 h GLY 259 N 0.44 -1.08 -1.48 2.75 0.00 -1.94 -2.32 103.07 99.44 1h28 h GLY 259 Ca 0.04 0.49 0.48 0.00 0.00 0.00 0.00 47.33 48.34 1h28 h GLY 259 CO 0.08 -0.38 1.00 0.54 0.00 0.00 0.00 176.54 177.78 1h28 n ARG 260 N -3.13 -0.02 0.23 4.80 1.74 -1.01 0.07 116.66 119.34 1h28 n ARG 260 Ca -0.02 1.11 -0.11 0.00 -0.77 0.00 0.00 57.85 58.06 1h28 n ARG 260 Cb 0.10 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.46 29.18 1h28 n ARG 260 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1h28 h SER 261 N 0.00 -0.54 -0.17 0.55 0.87 -1.34 -0.89 113.55 112.02 1h28 h SER 261 Ca 0.84 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 61.42 1h28 h SER 261 Cb 2.95 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 64.99 1h28 h SER 261 CO -0.29 -0.12 -0.48 0.25 -0.53 0.00 0.00 176.83 175.66 1h28 h LEU 262 N -1.15 -1.53 -1.23 2.23 5.85 0.19 0.53 115.31 120.20 1h28 h LEU 262 Ca -0.07 0.19 0.31 0.00 0.84 0.00 0.00 57.88 59.15 1h28 h LEU 262 Cb 0.52 0.60 -0.12 0.00 0.37 0.00 0.00 40.66 42.03 1h28 h LEU 262 CO 0.11 -0.41 0.67 0.25 -0.34 0.00 0.00 178.44 178.73 1h28 h LEU 263 N -0.47 0.45 0.00 2.25 5.85 -0.51 0.71 115.31 123.59 1h28 h LEU 263 Ca 0.03 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1h28 h LEU 263 Cb 0.58 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1h28 h LEU 263 CO -0.41 -0.03 -0.37 0.77 -0.34 0.00 0.00 178.44 178.06 1h28 h SER 264 N 0.33 0.00 1.04 1.25 4.64 0.14 -2.28 113.55 118.67 1h28 h SER 264 Ca 0.69 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.01 1h28 h SER 264 Cb 1.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 1h28 h SER 264 CO -0.42 0.04 -0.74 1.56 -0.87 0.00 0.00 176.83 176.40 1h28 h GLN 265 N 0.00 0.00 0.06 4.77 4.20 0.33 -2.92 115.11 121.55 1h28 h GLN 265 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.47 1h28 h GLN 265 Cb 1.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1h28 h GLN 265 CO 0.00 0.00 -1.07 0.52 -0.67 0.00 0.00 178.83 177.61 1h28 h MET 266 N 0.00 0.20 -0.64 1.46 2.86 -0.88 -1.68 114.93 116.25 1h28 h MET 266 Ca 0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1h28 h MET 266 Cb 0.89 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.65 1h28 h MET 266 CO 0.00 1.10 0.00 1.28 1.06 0.00 0.00 176.91 180.35 1h28 n LEU 267 N -3.54 4.53 -4.68 1.22 4.77 -0.88 -3.85 117.00 114.58 1h28 n LEU 267 Ca -0.05 -2.37 -0.46 0.00 -0.03 0.00 0.00 56.01 53.10 1h28 n LEU 267 Cb 0.94 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1h28 n LEU 267 CO 0.51 0.84 1.39 1.57 -1.33 0.00 0.00 177.39 180.37 1h28 n HIS 268 N 1.15 2.37 -0.11 -1.77 -0.00 -1.10 -4.87 115.22 110.89 1h28 n HIS 268 Ca 0.25 0.04 -0.13 0.00 0.46 0.00 0.00 57.72 58.34 1h28 n HIS 268 Cb 0.83 -2.64 -0.09 0.00 -0.12 0.00 0.00 29.99 27.96 1h28 n HIS 268 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1h28 h TYR 269 N 8.06 -1.62 -3.27 1.57 -1.99 -1.90 -3.40 116.97 114.42 1h28 h TYR 269 Ca -0.47 0.08 -0.56 0.00 2.00 0.00 0.00 58.73 59.78 1h28 h TYR 269 Cb 1.26 0.75 -0.04 0.00 2.00 0.00 0.00 36.73 40.70 1h28 h TYR 269 CO 0.78 -0.50 0.54 0.34 -0.00 0.00 0.00 178.16 179.33 1h28 s ASP 270 N -5.02 7.25 0.56 3.88 -1.08 -1.26 -4.77 116.67 116.24 1h28 s ASP 270 Ca -0.15 1.53 0.25 0.00 -0.52 0.00 0.00 52.55 53.67 1h28 s ASP 270 Cb 0.09 -2.55 1.63 0.00 -1.46 0.00 0.00 42.92 40.63 1h28 s ASP 270 CO 0.62 -0.43 2.21 1.55 0.52 0.00 0.00 175.17 179.64 1h28 h PRO 271 N 7.08 0.00 0.00 4.34 0.13 -1.94 -2.49 132.00 139.12 1h28 h PRO 271 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1h28 h PRO 271 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1h28 h PRO 271 CO 0.85 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.72 1h28 n ASN 272 N -4.05 0.00 0.00 1.44 3.02 -1.26 -3.23 115.26 111.17 1h28 n ASN 272 Ca -0.03 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1h28 n ASN 272 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1h28 n ASN 272 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h28 n LYS 273 N -0.87 2.86 -1.59 3.52 5.02 -1.06 -4.95 118.16 121.09 1h28 n LYS 273 Ca 0.17 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 56.02 1h28 n LYS 273 Cb 0.08 -0.93 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 1h28 n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1h28 n ARG 274 N -1.68 1.93 -1.17 1.97 0.63 -0.96 -4.80 116.66 112.57 1h28 n ARG 274 Ca 0.00 0.55 -0.39 0.00 -0.92 0.00 0.00 57.85 57.09 1h28 n ARG 274 Cb 0.33 -3.11 -0.01 0.00 0.45 0.00 0.00 32.46 30.12 1h28 n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1h28 n ILE 275 N 7.45 0.99 -2.19 5.15 3.06 -0.63 -4.98 119.36 128.20 1h28 n ILE 275 Ca 0.30 -0.44 -0.01 0.00 -2.50 0.00 0.00 62.75 60.11 1h28 n ILE 275 Cb 0.41 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.60 1h28 n ILE 275 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1h28 n SER 276 N 1.95 0.04 -0.07 9.51 3.41 -1.26 -4.82 113.62 122.38 1h28 n SER 276 Ca 0.12 -1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 57.56 1h28 n SER 276 Cb 0.30 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1h28 n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h28 n ALA 277 N -3.00 1.37 -0.02 7.33 0.00 -1.26 -2.07 120.51 122.87 1h28 n ALA 277 Ca -0.01 -1.01 -0.09 0.00 0.00 0.00 0.00 53.44 52.34 1h28 n ALA 277 Cb 0.02 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1h28 n ALA 277 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1h28 h LYS 278 N 0.01 -0.12 0.00 0.00 3.64 -1.92 -2.77 116.57 115.40 1h28 h LYS 278 Ca -0.47 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 1h28 h LYS 278 Cb 2.07 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1h28 h LYS 278 CO 0.02 -0.08 -0.08 0.00 -2.27 0.00 0.00 179.45 177.04 1h28 h ALA 279 N 0.98 0.97 0.01 5.00 0.00 -1.95 -2.61 119.26 121.67 1h28 h ALA 279 Ca 0.10 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1h28 h ALA 279 Cb 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1h28 h ALA 279 CO -0.24 0.10 -1.07 0.00 0.00 0.00 0.00 179.25 178.04 1h28 h ALA 280 N 1.92 0.35 0.00 0.00 0.00 -1.41 -2.90 119.26 117.23 1h28 h ALA 280 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1h28 h ALA 280 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1h28 h ALA 280 CO 0.01 1.25 0.12 -0.07 0.00 0.00 0.00 179.25 180.56 1h28 h LEU 281 N 0.01 0.00 -1.57 0.00 3.38 -1.17 -2.18 115.31 113.79 1h28 h LEU 281 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1h28 h LEU 281 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1h28 h LEU 281 CO 0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1h28 n ALA 282 N -1.75 2.37 -1.28 1.53 0.00 -1.15 -4.90 120.51 115.34 1h28 n ALA 282 Ca -0.01 -0.65 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1h28 n ALA 282 Cb 0.16 -0.06 0.09 0.00 0.00 0.00 0.00 19.45 19.64 1h28 n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1h28 n HIS 283 N -0.03 0.19 -0.01 0.00 -0.00 -0.82 -4.94 115.22 109.60 1h28 n HIS 283 Ca 0.01 0.38 -0.04 0.00 -0.00 0.00 0.00 57.72 58.07 1h28 n HIS 283 Cb 0.10 -2.02 0.18 0.00 -0.00 0.00 0.00 29.99 28.26 1h28 n HIS 283 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1h28 h PRO 284 N -0.40 0.56 -1.61 1.57 0.11 -1.93 -2.78 132.00 127.52 1h28 h PRO 284 Ca -0.46 -0.20 0.47 0.00 0.11 0.00 0.00 66.00 65.91 1h28 h PRO 284 Cb 1.33 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1h28 h PRO 284 CO 0.45 0.74 1.23 0.34 -0.21 0.00 0.00 178.00 180.54 1h28 n PHE 285 N -4.14 0.00 0.76 0.65 7.35 -1.26 0.21 117.46 121.03 1h28 n PHE 285 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1h28 n PHE 285 Cb 0.39 -0.40 0.01 0.00 0.35 0.00 0.00 39.48 39.82 1h28 n PHE 285 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1h28 n PHE 286 N -3.58 0.00 -0.34 -5.13 0.99 -1.05 -4.39 117.46 103.96 1h28 n PHE 286 Ca 0.36 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.98 1h28 n PHE 286 Cb 1.71 0.00 0.39 0.00 -1.00 0.00 0.00 39.48 40.58 1h28 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 1h28 h GLN 287 N 2.09 0.59 -0.79 -1.08 3.07 -0.35 -2.48 115.11 116.14 1h28 h GLN 287 Ca 0.00 -0.04 -0.25 0.00 0.09 0.00 0.00 58.65 58.45 1h28 h GLN 287 Cb 0.60 -0.13 -0.15 0.00 0.08 0.00 0.00 27.48 27.88 1h28 h GLN 287 CO 0.00 0.39 0.32 -0.40 0.09 0.00 0.00 178.83 179.23 1h28 n ASP 288 N -4.78 4.70 -4.75 0.06 5.75 -1.26 -5.03 116.55 111.24 1h28 n ASP 288 Ca 0.25 -3.24 -0.41 0.00 -0.01 0.00 0.00 54.79 51.39 1h28 n ASP 288 Cb 0.71 -0.76 -0.03 0.00 -1.03 0.00 0.00 41.12 40.01 1h28 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h28 s VAL 289 N -2.97 3.28 0.33 2.12 0.11 -0.94 -5.05 120.40 117.28 1h28 s VAL 289 Ca 0.54 1.18 0.03 0.00 -2.93 0.00 0.00 61.98 60.80 1h28 s VAL 289 Cb 0.44 -3.75 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1h28 s VAL 289 CO 0.13 0.24 0.10 0.35 -3.33 0.00 0.00 175.10 172.59 1h28 n THR 290 N 1.68 0.00 -3.40 5.04 -2.24 -1.26 -5.11 114.28 108.98 1h28 n THR 290 Ca 0.02 -1.85 -0.34 0.00 -2.27 0.00 0.00 64.05 59.61 1h28 n THR 290 Cb 0.44 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1h28 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h28 n LYS 291 N -0.76 3.02 -0.66 -0.78 4.81 -1.26 -4.58 118.16 117.95 1h28 n LYS 291 Ca -0.06 -4.58 -0.30 0.00 -0.87 0.00 0.00 58.31 52.49 1h28 n LYS 291 Cb 0.48 -2.37 0.20 0.00 0.02 0.00 0.00 35.03 33.37 1h28 n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1h28 s PRO 292 N -2.21 0.14 -0.10 1.64 0.02 -1.26 -4.99 135.00 128.24 1h28 s PRO 292 Ca 0.33 1.18 -0.05 0.00 0.02 0.00 0.00 61.00 62.48 1h28 s PRO 292 Cb 0.05 -1.65 -0.04 0.00 0.02 0.00 0.00 34.50 32.88 1h28 s PRO 292 CO -0.02 -3.11 0.09 0.08 -0.33 0.00 0.00 177.00 173.71 1h28 s VAL 293 N -2.58 5.09 0.89 3.83 1.01 -1.26 -4.64 120.40 122.73 1h28 s VAL 293 Ca 0.67 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 1h28 s VAL 293 Cb -0.23 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.07 1h28 s VAL 293 CO 0.61 0.59 1.12 -2.16 0.00 0.00 0.00 175.10 175.26 1h28 s PRO 294 N -1.05 1.24 -0.64 2.72 0.04 -1.26 -5.00 135.00 131.05 1h28 s PRO 294 Ca 0.15 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 1h28 s PRO 294 Cb -0.12 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.69 1h28 s PRO 294 CO 0.04 -2.41 1.20 -1.58 0.04 0.00 0.00 177.00 174.29 1h28 s HIS 295 N -2.73 2.51 -2.55 0.56 5.65 -1.26 -5.07 115.29 112.40 1h28 s HIS 295 Ca 0.65 0.18 0.28 0.00 0.25 0.00 0.00 55.06 56.42 1h28 s HIS 295 Cb -0.21 -4.52 0.96 0.00 -1.18 0.00 0.00 32.58 27.64 1h28 s HIS 295 CO 0.58 -1.75 1.70 1.28 -0.65 0.00 0.00 174.74 175.89