#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h26 n MET 1 N 0.00 0.00 -0.23 1.43 0.00 -1.26 -3.95 117.12 113.11 1h26 n MET 1 Ca 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 57.70 57.78 1h26 n MET 1 Cb 0.00 -1.72 0.07 0.00 0.00 0.00 0.00 33.22 31.57 1h26 n MET 1 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1h26 h GLU 2 N 0.00 -0.02 0.00 0.03 4.81 -2.06 0.12 114.58 117.46 1h26 h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1h26 h GLU 2 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1h26 h GLU 2 CO 0.00 -0.01 0.00 0.09 -0.73 0.00 0.00 179.01 178.36 1h26 n ASN 3 N -5.46 0.00 -4.70 1.04 3.02 -1.25 -4.76 115.26 103.14 1h26 n ASN 3 Ca 0.08 -0.91 -0.35 0.00 -0.03 0.00 0.00 54.58 53.37 1h26 n ASN 3 Cb 0.36 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 1h26 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h26 s PHE 4 N -2.05 3.36 -0.34 3.10 0.08 0.40 0.12 117.98 122.66 1h26 s PHE 4 Ca 0.45 0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.65 1h26 s PHE 4 Cb 0.21 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1h26 s PHE 4 CO 0.37 0.20 0.22 -1.14 -0.10 0.00 0.00 175.22 174.77 1h26 s GLN 5 N 0.60 3.37 0.54 0.44 2.00 0.11 -4.90 119.66 121.83 1h26 s GLN 5 Ca 0.07 -0.72 -0.20 0.00 -2.00 0.00 0.00 55.36 52.52 1h26 s GLN 5 Cb -0.12 -3.76 -0.06 0.00 0.80 0.00 0.00 33.01 29.87 1h26 s GLN 5 CO 0.00 -0.48 1.13 0.15 -0.50 0.00 0.00 175.29 175.59 1h26 s LYS 6 N 1.68 3.40 0.00 1.67 1.02 -1.26 -0.95 119.74 125.30 1h26 s LYS 6 Ca 0.05 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1h26 s LYS 6 Cb -0.18 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1h26 s LYS 6 CO 0.09 -0.81 0.00 0.28 -0.92 0.00 0.00 175.35 173.99 1h26 n VAL 7 N -1.23 0.00 -3.63 3.17 0.31 -0.04 -4.87 118.33 112.03 1h26 n VAL 7 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1h26 n VAL 7 Cb 0.51 -0.92 -0.04 0.00 -0.91 0.00 0.00 33.84 32.48 1h26 n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h26 s GLU 8 N -1.94 0.12 0.29 5.55 -1.05 -1.16 -5.00 118.70 115.49 1h26 s GLU 8 Ca 0.00 0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 1h26 s GLU 8 Cb 0.00 0.05 -0.10 0.00 -0.44 0.00 0.00 34.13 33.65 1h26 s GLU 8 CO 0.00 -0.04 1.23 0.21 0.95 0.00 0.00 175.26 177.61 1h26 s LYS 9 N -1.22 4.47 -0.11 -4.83 2.36 -1.26 -1.14 119.74 118.02 1h26 s LYS 9 Ca 0.08 2.03 0.13 0.00 -2.55 0.00 0.00 55.97 55.66 1h26 s LYS 9 Cb -0.01 -3.14 -0.18 0.00 -1.05 0.00 0.00 37.83 33.45 1h26 s LYS 9 CO -0.06 -0.05 0.11 -0.89 1.55 0.00 0.00 175.35 176.01 1h26 n ILE 10 N 1.28 0.73 0.00 5.43 5.41 -0.27 -4.81 119.36 127.13 1h26 n ILE 10 Ca 0.01 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1h26 n ILE 10 Cb 0.43 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 1h26 n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1h26 n GLY 11 N 2.05 -0.53 3.17 7.39 0.00 -1.23 -5.05 105.19 111.00 1h26 n GLY 11 Ca -0.18 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 1h26 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h26 s GLU 12 N -2.00 0.83 0.00 1.61 2.12 -1.26 -2.72 118.70 117.28 1h26 s GLU 12 Ca 0.00 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1h26 s GLU 12 Cb 0.00 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.71 1h26 s GLU 12 CO 0.00 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 1h26 n GLY 13 N 0.91 2.70 0.41 -1.50 0.00 -1.25 -4.97 105.19 101.49 1h26 n GLY 13 Ca -0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 1h26 n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h26 n THR 14 N 0.00 0.64 -1.92 2.61 -2.24 -1.26 -4.81 114.28 107.31 1h26 n THR 14 Ca 0.00 0.28 -0.28 0.00 -2.27 0.00 0.00 64.05 61.78 1h26 n THR 14 Cb 0.00 -1.66 0.03 0.00 -2.10 0.00 0.00 70.33 66.61 1h26 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1h26 n TYR 15 N -3.23 2.99 0.00 4.78 4.02 -1.26 -5.03 117.16 119.43 1h26 n TYR 15 Ca -0.04 -2.57 0.00 0.00 -0.01 0.00 0.00 57.90 55.28 1h26 n TYR 15 Cb 0.15 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 1h26 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h26 n GLY 16 N -0.71 -0.70 3.35 2.72 0.00 -1.25 -1.72 105.19 106.88 1h26 n GLY 16 Ca 0.49 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1h26 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h26 s VAL 17 N -4.00 0.07 -0.13 1.61 1.01 -0.82 -3.86 120.40 114.28 1h26 s VAL 17 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1h26 s VAL 17 Cb 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1h26 s VAL 17 CO 0.00 -0.32 -0.16 -0.69 0.00 0.00 0.00 175.10 173.92 1h26 s VAL 18 N -3.88 2.71 0.02 2.92 1.01 -1.10 0.03 120.40 122.11 1h26 s VAL 18 Ca 0.09 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1h26 s VAL 18 Cb 0.02 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1h26 s VAL 18 CO -0.06 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.07 1h26 s TYR 19 N 0.47 2.52 0.10 5.22 1.51 0.19 -1.11 117.35 126.25 1h26 s TYR 19 Ca -0.11 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.35 1h26 s TYR 19 Cb -0.16 -1.48 -0.07 0.00 -0.11 0.00 0.00 41.96 40.13 1h26 s TYR 19 CO 0.05 0.19 1.32 0.21 -1.11 0.00 0.00 175.55 176.21 1h26 s LYS 20 N -1.20 4.36 0.24 -0.62 2.20 -0.29 0.32 119.74 124.75 1h26 s LYS 20 Ca 0.13 1.97 -0.11 0.00 -0.36 0.00 0.00 55.97 57.61 1h26 s LYS 20 Cb -0.10 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1h26 s LYS 20 CO 0.03 -0.36 0.42 0.00 -0.36 0.00 0.00 175.35 175.08 1h26 s ALA 21 N 1.01 -0.02 -0.01 3.13 0.00 0.12 -0.86 121.76 125.12 1h26 s ALA 21 Ca 0.62 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.59 1h26 s ALA 21 Cb -0.34 1.12 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1h26 s ALA 21 CO 0.30 -0.81 -0.06 -0.98 0.00 0.00 0.00 175.76 174.22 1h26 s ARG 22 N -4.04 0.55 -0.38 0.00 1.70 -0.13 0.57 118.95 117.21 1h26 s ARG 22 Ca 0.25 -0.18 -0.29 0.00 -0.47 0.00 0.00 55.73 55.04 1h26 s ARG 22 Cb 0.01 -0.54 0.01 0.00 -0.57 0.00 0.00 34.95 33.86 1h26 s ARG 22 CO 0.09 0.08 1.26 1.21 -1.08 0.00 0.00 175.30 176.87 1h26 s ASN 23 N 0.10 6.60 0.36 -2.89 3.84 0.14 0.07 114.94 123.15 1h26 s ASN 23 Ca -0.01 0.89 0.25 0.00 0.21 0.00 0.00 52.86 54.20 1h26 s ASN 23 Cb -0.05 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.39 1h26 s ASN 23 CO -0.00 -1.20 1.76 0.11 -2.79 0.00 0.00 177.10 174.98 1h26 h LYS 24 N 9.53 0.00 0.00 0.43 1.57 -0.65 -0.72 116.57 126.73 1h26 h LYS 24 Ca -0.25 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.35 1h26 h LYS 24 Cb 1.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 1h26 h LYS 24 CO 1.07 0.00 -1.67 1.28 -0.57 0.00 0.00 179.45 179.56 1h26 n LEU 25 N -2.37 2.73 0.03 2.94 4.77 -1.26 -4.61 117.00 119.23 1h26 n LEU 25 Ca -0.01 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1h26 n LEU 25 Cb 0.08 -0.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 1h26 n LEU 25 CO 0.13 0.66 -0.45 0.35 -1.33 0.00 0.00 177.39 176.75 1h26 n THR 26 N -2.80 0.53 0.00 -5.08 -2.24 -1.22 -4.97 114.28 98.49 1h26 n THR 26 Ca -0.21 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1h26 n THR 26 Cb 0.73 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1h26 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h26 n GLY 27 N 1.30 2.09 3.75 3.38 0.00 -0.28 -5.02 105.19 110.41 1h26 n GLY 27 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1h26 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h26 s GLU 28 N -0.46 4.10 -0.14 1.61 2.12 -1.25 -4.51 118.70 120.18 1h26 s GLU 28 Ca 0.00 2.61 -0.19 0.00 0.36 0.00 0.00 54.97 57.74 1h26 s GLU 28 Cb 0.00 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.34 1h26 s GLU 28 CO 0.00 -0.65 0.55 0.08 -0.54 0.00 0.00 175.26 174.70 1h26 s VAL 29 N -0.08 5.12 0.34 3.70 1.01 -1.26 -0.69 120.40 128.54 1h26 s VAL 29 Ca 0.63 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1h26 s VAL 29 Cb -0.48 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1h26 s VAL 29 CO 0.50 0.25 0.07 0.68 0.00 0.00 0.00 175.10 176.59 1h26 s VAL 30 N 1.06 1.13 -0.21 2.92 -7.23 0.19 -3.77 120.40 114.50 1h26 s VAL 30 Ca 0.28 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1h26 s VAL 30 Cb -0.16 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1h26 s VAL 30 CO 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.93 1h26 s ALA 31 N -3.27 3.13 -0.20 1.32 0.00 -0.03 0.12 121.76 122.82 1h26 s ALA 31 Ca 0.34 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 1h26 s ALA 31 Cb 0.08 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1h26 s ALA 31 CO 0.15 -0.17 0.11 -0.51 0.00 0.00 0.00 175.76 175.34 1h26 s LEU 32 N 1.04 4.02 -0.39 0.00 1.43 0.15 -1.03 118.68 123.90 1h26 s LEU 32 Ca 0.03 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1h26 s LEU 32 Cb -0.14 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.09 1h26 s LEU 32 CO 0.02 0.14 0.21 -0.75 0.23 0.00 0.00 176.35 176.21 1h26 s LYS 33 N 0.57 2.69 -0.22 1.70 2.20 -0.34 0.54 119.74 126.87 1h26 s LYS 33 Ca 0.06 -1.27 -0.18 0.00 -0.36 0.00 0.00 55.97 54.23 1h26 s LYS 33 Cb -0.12 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1h26 s LYS 33 CO 0.00 -0.80 0.49 0.21 -0.36 0.00 0.00 175.35 174.89 1h26 s LYS 34 N 1.47 4.14 -0.21 4.03 2.20 0.10 -0.25 119.74 131.22 1h26 s LYS 34 Ca 0.02 0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1h26 s LYS 34 Cb -0.21 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 1h26 s LYS 34 CO 0.04 -0.21 -0.03 0.42 -0.36 0.00 0.00 175.35 175.21 1h26 s ILE 35 N 1.85 3.53 0.01 5.43 1.01 0.35 -1.95 121.20 131.42 1h26 s ILE 35 Ca 0.22 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 1h26 s ILE 35 Cb -0.15 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1h26 s ILE 35 CO 0.09 0.42 0.76 -0.13 0.00 0.00 0.00 174.94 176.09 1h26 s ARG 36 N 1.33 4.48 0.00 2.79 0.52 -0.70 -2.29 118.95 125.09 1h26 s ARG 36 Ca 0.04 1.04 0.00 0.00 -0.52 0.00 0.00 55.73 56.29 1h26 s ARG 36 Cb -0.14 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1h26 s ARG 36 CO -0.01 0.19 0.00 1.28 0.02 0.00 0.00 175.30 176.78 1h26 n LEU 37 N 3.18 0.00 0.00 2.53 4.77 -1.25 -4.98 117.00 121.24 1h26 n LEU 37 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1h26 n LEU 37 Cb 0.51 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1h26 n LEU 37 CO 0.47 -0.34 0.00 0.47 -1.33 0.00 0.00 177.39 176.66 1h26 n ASP 38 N -2.12 0.00 -3.00 -1.43 8.00 -1.25 -4.82 116.55 111.93 1h26 n ASP 38 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1h26 n ASP 38 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1h26 n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1h26 s THR 39 N 0.00 0.00 0.00 -3.53 2.01 -1.26 -4.87 115.64 107.99 1h26 s THR 39 Ca 0.00 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1h26 s THR 39 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1h26 s THR 39 CO 0.00 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 173.31 1h26 n GLU 40 N -0.61 -1.03 0.00 4.92 -0.58 -1.26 -4.91 120.64 117.16 1h26 n GLU 40 Ca -0.06 0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1h26 n GLU 40 Cb 0.60 -4.52 0.00 0.00 -0.57 0.00 0.00 31.44 26.95 1h26 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1h26 n THR 41 N -2.09 0.00 -0.45 2.62 -1.04 -1.26 -4.99 114.28 107.08 1h26 n THR 41 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1h26 n THR 41 Cb 0.26 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.86 1h26 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h26 n GLU 42 N 0.00 2.47 0.00 -2.82 -0.58 -1.26 -5.10 120.64 113.35 1h26 n GLU 42 Ca 0.00 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.69 1h26 n GLU 42 Cb 0.00 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1h26 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h26 n GLY 43 N -0.61 0.30 3.65 0.62 0.00 -1.26 -4.76 105.19 103.13 1h26 n GLY 43 Ca 0.09 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 1h26 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h26 s VAL 44 N 0.00 3.87 0.25 1.61 1.01 -1.26 -4.94 120.40 120.93 1h26 s VAL 44 Ca 0.00 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1h26 s VAL 44 Cb 0.00 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 1h26 s VAL 44 CO 0.00 -0.15 1.40 -2.65 0.00 0.00 0.00 175.10 173.70 1h26 n PRO 45 N 7.06 2.03 -0.08 2.72 -0.02 -1.26 -4.81 135.00 140.65 1h26 n PRO 45 Ca 0.16 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.56 1h26 n PRO 45 Cb 0.44 -2.37 0.63 0.00 -0.02 0.00 0.00 33.50 32.18 1h26 n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h26 h SER 46 N 4.10 0.13 -0.55 2.55 4.64 -1.94 -1.65 113.55 120.83 1h26 h SER 46 Ca -0.45 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1h26 h SER 46 Cb 1.28 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1h26 h SER 46 CO 0.75 0.07 0.07 0.71 -0.87 0.00 0.00 176.83 177.56 1h26 h THR 47 N 0.14 1.25 -0.12 2.95 1.35 -1.90 -1.69 112.91 114.89 1h26 h THR 47 Ca 0.31 -1.00 -0.21 0.00 -0.55 0.00 0.00 66.41 64.97 1h26 h THR 47 Cb 1.05 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1h26 h THR 47 CO -0.04 0.37 -0.76 0.00 -0.25 0.00 0.00 175.52 174.84 1h26 h ALA 48 N 1.17 0.44 -0.33 6.62 0.00 -1.64 -1.30 119.26 124.22 1h26 h ALA 48 Ca 0.18 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1h26 h ALA 48 Cb 0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1h26 h ALA 48 CO 0.01 0.72 0.15 0.82 0.00 0.00 0.00 179.25 180.96 1h26 h ILE 49 N 0.42 0.97 -0.34 0.00 2.04 -1.07 -1.57 117.51 117.96 1h26 h ILE 49 Ca -0.04 -0.11 -0.16 0.00 1.00 0.00 0.00 64.86 65.55 1h26 h ILE 49 Cb 1.37 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1h26 h ILE 49 CO 0.15 0.06 -0.40 0.03 0.00 0.00 0.00 178.15 177.99 1h26 h ARG 50 N 0.32 0.87 -0.10 2.37 3.08 -1.30 -2.54 114.38 117.08 1h26 h ARG 50 Ca 0.14 -0.48 0.02 0.00 0.07 0.00 0.00 59.98 59.72 1h26 h ARG 50 Cb 0.06 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1h26 h ARG 50 CO -0.10 1.12 -0.00 1.49 -1.07 0.00 0.00 179.97 181.41 1h26 h GLU 51 N 0.66 0.03 0.06 0.04 4.81 -1.05 -1.34 114.58 117.80 1h26 h GLU 51 Ca 0.05 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1h26 h GLU 51 Cb 0.99 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1h26 h GLU 51 CO 0.10 0.02 -0.03 0.82 -0.73 0.00 0.00 179.01 179.19 1h26 h ILE 52 N 0.03 1.10 -0.50 2.32 2.04 -1.33 0.45 117.51 121.61 1h26 h ILE 52 Ca 0.04 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1h26 h ILE 52 Cb 0.05 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1h26 h ILE 52 CO -0.08 0.13 -0.09 0.77 0.00 0.00 0.00 178.15 178.89 1h26 h SER 53 N -0.32 0.90 0.27 1.72 4.64 -1.39 -1.23 113.55 118.14 1h26 h SER 53 Ca -0.01 -0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 60.84 1h26 h SER 53 Cb 0.28 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1h26 h SER 53 CO 0.01 1.01 -0.80 -0.07 -0.87 0.00 0.00 176.83 176.11 1h26 h LEU 54 N 0.82 0.52 -0.41 5.97 3.38 -1.24 -3.19 115.31 121.15 1h26 h LEU 54 Ca 0.14 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1h26 h LEU 54 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1h26 h LEU 54 CO 0.04 1.13 -0.49 0.25 0.09 0.00 0.00 178.44 179.46 1h26 h LEU 55 N 0.27 0.00 -1.56 1.67 5.85 -0.58 -2.08 115.31 118.88 1h26 h LEU 55 Ca -0.05 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1h26 h LEU 55 Cb 1.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1h26 h LEU 55 CO 0.14 0.49 -0.14 0.11 -0.34 0.00 0.00 178.44 178.70 1h26 h LYS 56 N 0.00 0.00 -0.00 1.25 1.57 -1.22 -2.71 116.57 115.46 1h26 h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1h26 h LYS 56 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1h26 h LYS 56 CO 0.06 0.14 -0.23 0.39 -0.57 0.00 0.00 179.45 179.25 1h26 n GLU 57 N -3.41 0.15 -3.89 3.15 1.02 -0.79 -4.69 120.64 112.18 1h26 n GLU 57 Ca -0.01 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.79 1h26 n GLU 57 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.12 1h26 n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h26 s LEU 58 N -2.88 4.50 -0.34 -4.62 1.43 -1.02 -5.02 118.68 110.72 1h26 s LEU 58 Ca 0.16 -3.57 -0.11 0.00 -1.03 0.00 0.00 54.13 49.59 1h26 s LEU 58 Cb 0.19 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1h26 s LEU 58 CO 0.59 -0.13 0.19 0.21 0.23 0.00 0.00 176.35 177.43 1h26 s ASN 59 N -1.04 5.71 -0.27 2.29 3.84 -1.26 -4.88 114.94 119.33 1h26 s ASN 59 Ca 0.23 -0.66 -0.22 0.00 0.21 0.00 0.00 52.86 52.41 1h26 s ASN 59 Cb -0.11 -2.04 0.07 0.00 -0.55 0.00 0.00 41.25 38.63 1h26 s ASN 59 CO -0.12 -0.27 0.72 -2.28 -2.79 0.00 0.00 177.10 172.37 1h26 s HIS 60 N 1.62 -0.86 -0.28 0.43 2.46 -1.26 -5.05 115.29 112.35 1h26 s HIS 60 Ca 0.04 1.96 0.17 0.00 0.47 0.00 0.00 55.06 57.70 1h26 s HIS 60 Cb -0.18 0.38 0.92 0.00 -0.13 0.00 0.00 32.58 33.57 1h26 s HIS 60 CO 0.07 -0.42 1.50 -0.35 -2.47 0.00 0.00 174.74 173.07 1h26 n PRO 61 N 3.15 0.11 -0.28 2.88 -0.04 -1.26 -1.85 135.00 137.72 1h26 n PRO 61 Ca -0.16 0.60 0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1h26 n PRO 61 Cb 0.56 -1.92 0.18 0.00 -0.04 0.00 0.00 33.50 32.29 1h26 n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1h26 n ASN 62 N -2.10 2.72 -4.11 3.54 4.13 -1.26 -4.88 115.26 113.29 1h26 n ASN 62 Ca -0.01 -3.20 -0.32 0.00 1.68 0.00 0.00 54.58 52.73 1h26 n ASN 62 Cb 0.08 -0.49 -0.16 0.00 -1.54 0.00 0.00 39.78 37.67 1h26 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h26 s ILE 63 N -2.93 1.96 -0.09 2.41 1.01 -0.77 -0.82 121.20 121.97 1h26 s ILE 63 Ca 0.36 -0.89 -0.36 0.00 0.00 0.00 0.00 60.65 59.76 1h26 s ILE 63 Cb 0.31 -1.77 -0.17 0.00 0.01 0.00 0.00 42.46 40.84 1h26 s ILE 63 CO 0.03 0.53 1.03 0.52 0.00 0.00 0.00 174.94 177.05 1h26 n VAL 64 N 4.52 0.00 -2.98 2.92 0.31 -0.36 -4.57 118.33 118.17 1h26 n VAL 64 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.72 1h26 n VAL 64 Cb 0.50 -0.09 -0.05 0.00 -0.91 0.00 0.00 33.84 33.29 1h26 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1h26 s LYS 65 N 0.55 4.26 -0.42 5.55 2.20 -1.26 -4.99 119.74 125.63 1h26 s LYS 65 Ca 0.82 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.99 1h26 s LYS 65 Cb -1.15 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 31.61 1h26 s LYS 65 CO 0.54 -0.30 1.25 -1.17 -0.36 0.00 0.00 175.35 175.31 1h26 s LEU 66 N 2.07 3.68 0.14 5.43 2.96 -1.26 -1.85 118.68 129.85 1h26 s LEU 66 Ca 0.34 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 1h26 s LEU 66 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1h26 s LEU 66 CO 0.11 -1.26 1.32 -0.07 -1.32 0.00 0.00 176.35 175.14 1h26 h LEU 67 N 11.40 0.42 -7.00 -0.68 3.38 -0.37 -3.48 115.31 118.98 1h26 h LEU 67 Ca -0.25 -0.34 0.25 0.00 0.09 0.00 0.00 57.88 57.63 1h26 h LEU 67 Cb 1.08 -0.13 -0.23 0.00 0.09 0.00 0.00 40.66 41.47 1h26 h LEU 67 CO 1.09 1.15 0.88 -0.62 0.09 0.00 0.00 178.44 181.03 1h26 s ASP 68 N -7.03 -0.10 -0.11 -0.43 2.15 -1.11 -5.01 116.67 105.04 1h26 s ASP 68 Ca -0.05 0.05 0.01 0.00 0.43 0.00 0.00 52.55 52.99 1h26 s ASP 68 Cb 0.09 0.09 0.02 0.00 -0.30 0.00 0.00 42.92 42.82 1h26 s ASP 68 CO 0.85 -0.12 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.93 1h26 s VAL 69 N -1.66 1.19 -0.37 1.11 1.01 -1.26 -0.50 120.40 119.92 1h26 s VAL 69 Ca 0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1h26 s VAL 69 Cb -0.01 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1h26 s VAL 69 CO -0.05 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 174.97 1h26 s ILE 70 N 1.35 4.02 -0.59 2.22 1.01 -0.24 -4.97 121.20 124.00 1h26 s ILE 70 Ca -0.01 -1.18 0.01 0.00 0.00 0.00 0.00 60.65 59.47 1h26 s ILE 70 Cb -0.14 -3.33 0.15 0.00 0.01 0.00 0.00 42.46 39.15 1h26 s ILE 70 CO -0.05 -0.29 0.37 -2.28 0.00 0.00 0.00 174.94 172.69 1h26 s HIS 71 N 1.43 3.31 0.57 3.97 2.46 -1.26 -0.24 115.29 125.52 1h26 s HIS 71 Ca 0.00 -2.96 -0.03 0.00 0.47 0.00 0.00 55.06 52.55 1h26 s HIS 71 Cb -0.20 -3.01 0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1h26 s HIS 71 CO 0.03 -0.78 0.83 0.99 -2.47 0.00 0.00 174.74 173.34 1h26 s THR 72 N -0.26 3.30 0.44 0.89 2.01 0.22 -4.98 115.64 117.25 1h26 s THR 72 Ca 0.18 -0.31 0.29 0.00 0.31 0.00 0.00 61.69 62.15 1h26 s THR 72 Cb -0.22 -3.29 0.31 0.00 0.01 0.00 0.00 72.50 69.31 1h26 s THR 72 CO -0.02 -0.25 2.11 -0.08 -0.69 0.00 0.00 174.62 175.68 1h26 h GLU 73 N -0.05 0.00 0.00 4.92 4.81 -2.03 -3.30 114.58 118.93 1h26 h GLU 73 Ca -0.45 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.43 1h26 h GLU 73 Cb 1.27 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1h26 h GLU 73 CO 0.58 0.09 -2.17 0.27 -0.73 0.00 0.00 179.01 177.05 1h26 n ASN 74 N -3.61 1.48 -4.41 1.04 0.23 -1.26 -4.90 115.26 103.83 1h26 n ASN 74 Ca -0.02 0.26 -0.25 0.00 -0.53 0.00 0.00 54.58 54.04 1h26 n ASN 74 Cb 0.21 -0.62 -0.11 0.00 -2.08 0.00 0.00 39.78 37.18 1h26 n ASN 74 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1h26 s LYS 75 N -2.38 1.48 -0.16 -3.83 3.01 -1.24 -3.95 119.74 112.66 1h26 s LYS 75 Ca -0.29 -1.55 0.01 0.00 -1.01 0.00 0.00 55.97 53.12 1h26 s LYS 75 Cb 0.11 -1.66 0.01 0.00 -1.01 0.00 0.00 37.83 35.28 1h26 s LYS 75 CO 0.37 0.34 -0.19 -1.17 0.51 0.00 0.00 175.35 175.21 1h26 s LEU 76 N -2.89 2.23 -0.19 3.17 2.96 -0.97 -0.61 118.68 122.39 1h26 s LEU 76 Ca 0.22 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1h26 s LEU 76 Cb -0.06 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.14 1h26 s LEU 76 CO 0.10 0.04 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.69 1h26 s TYR 77 N 1.05 2.81 -0.14 5.38 2.02 0.67 -0.50 117.35 128.63 1h26 s TYR 77 Ca -0.01 -1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 54.94 1h26 s TYR 77 Cb -0.14 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1h26 s TYR 77 CO -0.06 -0.77 0.62 -0.51 -1.57 0.00 0.00 175.55 173.27 1h26 s LEU 78 N 1.31 4.22 -0.37 -1.29 1.43 0.65 -1.08 118.68 123.56 1h26 s LEU 78 Ca 0.05 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 53.95 1h26 s LEU 78 Cb -0.13 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 1h26 s LEU 78 CO -0.11 -0.17 0.27 -0.69 0.23 0.00 0.00 176.35 175.88 1h26 s VAL 79 N 1.33 5.27 0.05 -1.59 1.01 0.35 -1.20 120.40 125.61 1h26 s VAL 79 Ca 0.31 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1h26 s VAL 79 Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1h26 s VAL 79 CO 0.13 -0.15 -0.04 -0.36 0.00 0.00 0.00 175.10 174.67 1h26 s PHE 80 N 1.72 2.92 0.49 5.22 0.40 -0.20 0.42 117.98 128.94 1h26 s PHE 80 Ca 0.06 -0.04 -0.22 0.00 -0.60 0.00 0.00 56.93 56.13 1h26 s PHE 80 Cb -0.18 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.70 1h26 s PHE 80 CO 0.10 0.43 0.97 -0.85 0.70 0.00 0.00 175.22 176.57 1h26 n GLU 81 N 1.10 1.18 -3.53 0.44 0.28 -0.77 -0.85 120.64 118.49 1h26 n GLU 81 Ca -0.14 0.43 -0.37 0.00 -0.16 0.00 0.00 57.16 56.93 1h26 n GLU 81 Cb 0.52 -2.08 -0.07 0.00 1.43 0.00 0.00 31.44 31.24 1h26 n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1h26 s PHE 82 N -1.38 3.42 -0.07 -1.84 5.36 -1.25 -4.38 117.98 117.85 1h26 s PHE 82 Ca 0.67 0.54 0.05 0.00 -0.96 0.00 0.00 56.93 57.23 1h26 s PHE 82 Cb -0.50 -2.36 -0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1h26 s PHE 82 CO 0.54 0.17 -0.22 -0.51 -1.46 0.00 0.00 175.22 173.74 1h26 s LEU 83 N 0.70 2.00 0.29 6.12 1.02 -1.26 -4.99 118.68 122.57 1h26 s LEU 83 Ca 0.15 -0.48 0.04 0.00 0.02 0.00 0.00 54.13 53.86 1h26 s LEU 83 Cb -0.13 -1.25 0.77 0.00 0.02 0.00 0.00 46.19 45.59 1h26 s LEU 83 CO 0.04 0.18 1.46 1.57 0.02 0.00 0.00 176.35 179.62 1h26 n HIS 84 N 3.28 0.64 -3.84 0.29 -0.00 -1.13 -4.85 115.22 109.61 1h26 n HIS 84 Ca -0.19 1.12 -0.04 0.00 -0.00 0.00 0.00 57.72 58.61 1h26 n HIS 84 Cb 0.52 -1.23 0.01 0.00 -0.00 0.00 0.00 29.99 29.30 1h26 n HIS 84 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1h26 s GLN 85 N -5.86 1.44 0.21 1.57 0.74 -0.86 -5.01 119.66 111.89 1h26 s GLN 85 Ca -0.12 -0.90 0.11 0.00 0.05 0.00 0.00 55.36 54.50 1h26 s GLN 85 Cb 0.28 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.76 1h26 s GLN 85 CO 0.73 -0.67 -0.18 0.16 -0.55 0.00 0.00 175.29 174.78 1h26 s ASP 86 N -3.25 3.77 0.34 6.67 1.47 -1.26 -0.18 116.67 124.23 1h26 s ASP 86 Ca 0.19 -0.80 0.04 0.00 1.18 0.00 0.00 52.55 53.16 1h26 s ASP 86 Cb -0.03 -0.43 0.61 0.00 -0.34 0.00 0.00 42.92 42.73 1h26 s ASP 86 CO 0.06 0.09 1.90 0.25 0.68 0.00 0.00 175.17 178.14 1h26 h LEU 87 N 2.86 0.52 0.20 2.11 5.85 -1.04 -1.30 115.31 124.51 1h26 h LEU 87 Ca -0.45 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1h26 h LEU 87 Cb 1.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1h26 h LEU 87 CO 0.53 0.55 -0.10 0.50 -0.34 0.00 0.00 178.44 179.58 1h26 h LYS 88 N 0.55 -0.26 -0.06 1.25 1.63 -1.83 -1.70 116.57 116.14 1h26 h LYS 88 Ca 0.12 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1h26 h LYS 88 Cb 0.27 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1h26 h LYS 88 CO 0.00 0.01 0.00 1.63 -3.45 0.00 0.00 179.45 177.64 1h26 n LYS 89 N -5.10 0.14 0.00 1.90 5.02 -0.50 -2.47 118.16 117.15 1h26 n LYS 89 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1h26 n LYS 89 Cb 0.21 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1h26 n LYS 89 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1h26 n PHE 90 N -0.12 -0.05 -0.31 2.13 7.35 -1.15 -4.32 117.46 120.99 1h26 n PHE 90 Ca 0.00 0.01 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1h26 n PHE 90 Cb 0.01 0.27 0.20 0.00 0.35 0.00 0.00 39.48 40.32 1h26 n PHE 90 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1h26 h MET 91 N 0.00 1.09 0.06 -4.13 2.86 -1.14 -1.45 114.93 112.21 1h26 h MET 91 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1h26 h MET 91 Cb 0.44 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1h26 h MET 91 CO 0.00 0.72 -0.03 -0.44 1.06 0.00 0.00 176.91 178.22 1h26 h ASP 92 N 1.12 -0.06 0.26 1.22 3.32 -1.75 -2.19 116.42 118.33 1h26 h ASP 92 Ca 0.37 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1h26 h ASP 92 Cb 0.05 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1h26 h ASP 92 CO -0.12 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 1h26 n ALA 93 N -2.18 1.28 -0.32 3.45 0.00 -1.07 -0.98 120.51 120.68 1h26 n ALA 93 Ca -0.08 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1h26 n ALA 93 Cb 0.11 -1.25 0.21 0.00 0.00 0.00 0.00 19.45 18.52 1h26 n ALA 93 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1h26 n SER 94 N -1.98 3.37 0.12 0.00 7.64 -0.57 -4.64 113.62 117.56 1h26 n SER 94 Ca 0.00 -2.11 0.07 0.00 1.01 0.00 0.00 58.87 57.84 1h26 n SER 94 Cb 0.10 -0.34 0.37 0.00 -1.01 0.00 0.00 64.21 63.32 1h26 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h26 n ALA 95 N 0.73 0.85 -0.11 -0.43 0.00 -0.15 0.95 120.51 122.34 1h26 n ALA 95 Ca 0.16 0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.50 1h26 n ALA 95 Cb 0.54 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 1h26 n ALA 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h26 n LEU 96 N -1.98 1.66 0.00 0.00 4.77 -1.26 -4.66 117.00 115.53 1h26 n LEU 96 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1h26 n LEU 96 Cb 0.14 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1h26 n LEU 96 CO 0.06 0.39 0.50 0.41 -1.33 0.00 0.00 177.39 177.42 1h26 n THR 97 N -4.08 0.00 0.00 -5.08 -1.04 -0.89 -5.04 114.28 98.15 1h26 n THR 97 Ca -0.42 1.50 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 1h26 n THR 97 Cb 0.78 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1h26 n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h26 n GLY 98 N -1.00 2.38 3.66 3.41 0.00 0.27 -5.02 105.19 108.89 1h26 n GLY 98 Ca 0.00 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1h26 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h26 s ILE 99 N -2.99 5.34 0.42 -0.61 1.01 -1.26 -4.94 121.20 118.17 1h26 s ILE 99 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.63 1h26 s ILE 99 Cb 0.00 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.85 1h26 s ILE 99 CO 0.00 0.33 1.19 -2.65 0.00 0.00 0.00 174.94 173.81 1h26 n PRO 100 N 4.34 1.72 0.05 2.79 -0.02 -1.26 -4.76 135.00 137.86 1h26 n PRO 100 Ca -0.14 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1h26 n PRO 100 Cb 0.52 -2.27 0.26 0.00 -0.02 0.00 0.00 33.50 31.99 1h26 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h26 h LEU 101 N 1.88 0.38 -1.40 2.45 5.85 -1.99 -0.94 115.31 121.54 1h26 h LEU 101 Ca -0.47 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 1h26 h LEU 101 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1h26 h LEU 101 CO 0.59 0.61 -0.16 -0.65 -0.34 0.00 0.00 178.44 178.49 1h26 h PRO 102 N 0.35 0.20 -0.20 5.25 0.11 -1.98 -0.04 132.00 135.69 1h26 h PRO 102 Ca 0.06 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.97 1h26 h PRO 102 Cb 0.58 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1h26 h PRO 102 CO 0.04 0.37 -0.47 1.25 -0.21 0.00 0.00 178.00 178.98 1h26 h LEU 103 N 0.19 0.76 -1.21 2.35 5.85 -1.54 0.22 115.31 121.94 1h26 h LEU 103 Ca 0.04 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1h26 h LEU 103 Cb 0.40 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1h26 h LEU 103 CO 0.02 1.19 0.29 0.40 -0.34 0.00 0.00 178.44 180.00 1h26 h ILE 104 N 0.37 1.20 -0.02 4.05 2.04 -0.87 0.30 117.51 124.57 1h26 h ILE 104 Ca -0.00 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1h26 h ILE 104 Cb 1.08 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1h26 h ILE 104 CO 0.10 0.23 -0.35 0.50 0.00 0.00 0.00 178.15 178.63 1h26 h LYS 105 N 0.84 0.27 -0.51 2.37 3.64 -0.80 -0.57 116.57 121.80 1h26 h LYS 105 Ca 0.21 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1h26 h LYS 105 Cb 0.09 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1h26 h LYS 105 CO -0.03 0.96 0.29 1.03 -2.27 0.00 0.00 179.45 179.43 1h26 h SER 106 N -0.31 0.45 -0.25 4.20 0.87 -0.70 -0.90 113.55 116.90 1h26 h SER 106 Ca -0.04 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1h26 h SER 106 Cb 1.07 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1h26 h SER 106 CO 0.07 0.32 0.09 1.88 -0.53 0.00 0.00 176.83 178.66 1h26 h TYR 107 N 0.57 0.39 -0.49 2.24 0.05 -0.85 0.70 116.97 119.58 1h26 h TYR 107 Ca 0.21 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.02 1h26 h TYR 107 Cb 0.07 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1h26 h TYR 107 CO -0.08 0.42 0.18 1.25 -1.05 0.00 0.00 178.16 178.89 1h26 h LEU 108 N 0.25 0.20 -0.15 3.88 5.85 -0.97 0.13 115.31 124.51 1h26 h LEU 108 Ca 0.08 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1h26 h LEU 108 Cb 0.20 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1h26 h LEU 108 CO -0.01 0.14 0.04 0.15 -0.34 0.00 0.00 178.44 178.43 1h26 h PHE 109 N 0.37 0.24 -0.62 1.25 3.57 -0.65 0.35 116.94 121.45 1h26 h PHE 109 Ca 0.23 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1h26 h PHE 109 Cb 0.23 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1h26 h PHE 109 CO -0.15 0.36 0.40 1.96 -2.23 0.00 0.00 178.31 178.65 1h26 h GLN 110 N 0.05 0.82 -0.66 1.11 4.20 -0.64 -1.52 115.11 118.47 1h26 h GLN 110 Ca 0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1h26 h GLN 110 Cb 0.24 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1h26 h GLN 110 CO -0.00 0.55 0.40 -0.07 -0.67 0.00 0.00 178.83 179.04 1h26 h LEU 111 N 0.83 0.80 -0.80 1.46 3.38 -0.44 -1.90 115.31 118.64 1h26 h LEU 111 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1h26 h LEU 111 Cb -0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1h26 h LEU 111 CO -0.05 0.62 0.22 -0.07 0.09 0.00 0.00 178.44 179.25 1h26 h LEU 112 N 0.90 1.04 -0.80 1.67 3.38 -0.58 -1.70 115.31 119.22 1h26 h LEU 112 Ca 0.24 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1h26 h LEU 112 Cb -0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1h26 h LEU 112 CO -0.04 0.97 0.36 1.56 0.09 0.00 0.00 178.44 181.37 1h26 h GLN 113 N 1.07 1.16 -0.47 1.13 4.20 -0.86 -1.40 115.11 119.94 1h26 h GLN 113 Ca 0.23 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1h26 h GLN 113 Cb 0.31 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1h26 h GLN 113 CO -0.01 0.92 -0.21 0.78 -0.67 0.00 0.00 178.83 179.64 1h26 h GLY 114 N 1.14 1.03 0.80 3.46 0.00 -1.09 -2.03 103.07 106.39 1h26 h GLY 114 Ca 0.27 -0.90 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1h26 h GLY 114 CO -0.03 0.82 -0.04 -2.00 0.00 0.00 0.00 176.54 175.29 1h26 h LEU 115 N 0.82 0.38 -1.03 3.11 5.85 -1.23 -1.14 115.31 122.08 1h26 h LEU 115 Ca 0.11 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1h26 h LEU 115 Cb 0.77 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1h26 h LEU 115 CO 0.06 0.65 0.31 0.00 -0.34 0.00 0.00 178.44 179.12 1h26 h ALA 116 N 0.74 1.24 0.17 1.25 0.00 -1.18 0.11 119.26 121.58 1h26 h ALA 116 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1h26 h ALA 116 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h26 h ALA 116 CO 0.02 0.57 -0.15 0.35 0.00 0.00 0.00 179.25 180.04 1h26 h PHE 117 N 0.99 -0.39 -0.30 0.00 3.57 -1.21 -0.87 116.94 118.73 1h26 h PHE 117 Ca 0.24 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1h26 h PHE 117 Cb 0.14 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 1h26 h PHE 117 CO 0.01 -0.23 -0.21 0.00 -2.23 0.00 0.00 178.31 175.65 1h26 h HIS 119 N -0.18 0.12 0.00 0.00 3.86 -0.87 0.08 115.15 118.15 1h26 h HIS 119 Ca 0.16 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1h26 h HIS 119 Cb 0.43 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1h26 h HIS 119 CO -0.40 0.36 -0.33 0.77 0.86 0.00 0.00 177.93 179.19 1h26 h SER 120 N 0.10 0.00 -0.83 2.45 0.02 -0.85 -2.38 113.55 112.07 1h26 h SER 120 Ca 0.02 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.50 1h26 h SER 120 Cb 0.50 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.78 1h26 h SER 120 CO 0.04 0.33 0.44 1.41 -1.14 0.00 0.00 176.83 177.90 1h26 n HIS 121 N -3.82 2.59 -4.21 3.45 8.25 -0.67 -4.94 115.22 115.87 1h26 n HIS 121 Ca -0.01 -2.03 -0.36 0.00 -0.26 0.00 0.00 57.72 55.06 1h26 n HIS 121 Cb 0.41 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.59 1h26 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h26 n ARG 122 N -1.08 -2.87 -4.42 -0.41 -4.01 -0.90 -4.95 116.66 98.02 1h26 n ARG 122 Ca 0.53 0.34 -0.34 0.00 -1.04 0.00 0.00 57.85 57.35 1h26 n ARG 122 Cb 1.30 -5.06 -0.14 0.00 -3.04 0.00 0.00 32.46 25.52 1h26 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h26 s VAL 123 N -3.24 3.02 0.00 8.89 1.01 -0.08 -0.91 120.40 129.10 1h26 s VAL 123 Ca 0.74 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1h26 s VAL 123 Cb -0.41 -2.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 1h26 s VAL 123 CO 0.91 0.49 0.42 -0.76 0.00 0.00 0.00 175.10 176.17 1h26 s LEU 124 N 0.82 4.47 -0.15 3.92 1.43 -0.68 -3.49 118.68 125.01 1h26 s LEU 124 Ca -0.04 0.98 -0.13 0.00 -1.03 0.00 0.00 54.13 53.92 1h26 s LEU 124 Cb -0.15 -2.62 -0.09 0.00 0.03 0.00 0.00 46.19 43.36 1h26 s LEU 124 CO 0.01 0.31 0.04 -0.74 0.23 0.00 0.00 176.35 176.19 1h26 h HIS 125 N 4.79 0.00 -0.02 0.29 -0.00 -1.89 -1.87 115.15 116.44 1h26 h HIS 125 Ca -0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.85 1h26 h HIS 125 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1h26 h HIS 125 CO 0.70 0.49 -0.01 0.54 -0.00 0.00 0.00 177.93 179.66 1h26 n ARG 126 N -4.59 -0.55 -2.70 5.26 1.74 -1.26 -2.92 116.66 111.64 1h26 n ARG 126 Ca -0.13 0.19 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1h26 n ARG 126 Cb 0.35 -3.64 0.08 0.00 -1.02 0.00 0.00 32.46 28.24 1h26 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h26 n ASP 127 N -0.17 -0.39 -4.65 0.55 2.03 -1.26 -2.81 116.55 109.84 1h26 n ASP 127 Ca -0.00 -2.47 -0.43 0.00 0.52 0.00 0.00 54.79 52.41 1h26 n ASP 127 Cb 0.15 0.31 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 1h26 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h26 s LEU 128 N -3.36 4.11 0.18 -2.67 1.43 -1.26 -4.83 118.68 112.28 1h26 s LEU 128 Ca 0.22 1.60 -0.21 0.00 -1.03 0.00 0.00 54.13 54.71 1h26 s LEU 128 Cb 0.42 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 43.15 1h26 s LEU 128 CO -0.05 -0.84 0.57 -1.59 0.23 0.00 0.00 176.35 174.67 1h26 s LYS 129 N 3.68 1.33 0.42 1.70 -2.85 -1.26 -4.86 119.74 117.90 1h26 s LYS 129 Ca 0.56 -0.63 0.13 0.00 -1.00 0.00 0.00 55.97 55.02 1h26 s LYS 129 Cb -0.21 0.56 0.98 0.00 -2.06 0.00 0.00 37.83 37.11 1h26 s LYS 129 CO 0.17 -0.58 1.95 -1.35 0.10 0.00 0.00 175.35 175.64 1h26 h PRO 130 N 2.08 0.47 0.00 1.78 0.11 -1.94 0.08 132.00 134.57 1h26 h PRO 130 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1h26 h PRO 130 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h26 h PRO 130 CO 0.37 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1h26 n GLN 131 N -4.48 0.21 -0.14 1.05 0.00 -1.26 -2.35 117.38 110.40 1h26 n GLN 131 Ca 0.12 0.39 0.12 0.00 0.00 0.00 0.00 57.00 57.63 1h26 n GLN 131 Cb 0.42 -1.86 0.24 0.00 0.00 0.00 0.00 30.24 29.04 1h26 n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1h26 n ASN 132 N -2.24 2.97 -4.18 2.61 3.02 0.01 -4.83 115.26 112.62 1h26 n ASN 132 Ca 0.03 -1.92 -0.34 0.00 -0.03 0.00 0.00 54.58 52.32 1h26 n ASN 132 Cb 0.26 -0.19 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 1h26 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h26 s LEU 133 N -1.57 2.52 -0.01 3.41 1.43 -0.99 -0.64 118.68 122.83 1h26 s LEU 133 Ca 0.36 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 1h26 s LEU 133 Cb 0.21 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1h26 s LEU 133 CO 0.30 -0.03 -0.02 -0.76 0.23 0.00 0.00 176.35 176.07 1h26 s LEU 134 N 1.34 3.40 0.01 1.79 1.43 -0.17 -1.40 118.68 125.07 1h26 s LEU 134 Ca 0.04 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 1h26 s LEU 134 Cb -0.14 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1h26 s LEU 134 CO -0.09 0.29 -0.24 0.27 0.23 0.00 0.00 176.35 176.81 1h26 s ILE 135 N -1.04 1.92 0.52 -0.59 -4.36 0.75 -0.33 121.20 118.08 1h26 s ILE 135 Ca 0.18 -1.14 0.07 0.00 -0.26 0.00 0.00 60.65 59.51 1h26 s ILE 135 Cb -0.11 -1.62 0.07 0.00 1.25 0.00 0.00 42.46 42.05 1h26 s ILE 135 CO 0.09 0.45 0.59 -0.46 0.24 0.00 0.00 174.94 175.85 1h26 n ASN 136 N 2.23 2.23 0.19 4.36 0.23 -0.87 -2.03 115.26 121.59 1h26 n ASN 136 Ca -0.16 -2.56 0.12 0.00 -0.53 0.00 0.00 54.58 51.45 1h26 n ASN 136 Cb 0.52 -0.25 0.19 0.00 -2.08 0.00 0.00 39.78 38.17 1h26 n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1h26 h THR 137 N 0.32 0.00 -0.10 5.53 1.35 -1.99 -3.31 112.91 114.72 1h26 h THR 137 Ca -0.28 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1h26 h THR 137 Cb 1.16 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1h26 h THR 137 CO 0.42 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.07 1h26 n GLU 138 N -2.92 1.71 0.00 4.72 -0.58 -1.26 -4.47 120.64 117.83 1h26 n GLU 138 Ca 0.04 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.73 1h26 n GLU 138 Cb 0.51 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1h26 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h26 n GLY 139 N 1.15 0.70 3.79 0.62 0.00 -1.25 -4.49 105.19 105.72 1h26 n GLY 139 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1h26 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h26 s ALA 140 N -2.00 2.85 0.03 4.61 0.00 -1.26 -4.84 121.76 121.15 1h26 s ALA 140 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1h26 s ALA 140 Cb 0.00 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1h26 s ALA 140 CO 0.00 -0.42 -0.09 -1.50 0.00 0.00 0.00 175.76 173.75 1h26 s ILE 141 N -1.90 0.63 -0.05 0.00 2.07 -1.26 -2.06 121.20 118.64 1h26 s ILE 141 Ca 0.68 -0.90 -0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1h26 s ILE 141 Cb -0.19 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1h26 s ILE 141 CO 0.22 -0.21 0.11 -0.54 -1.91 0.00 0.00 174.94 172.61 1h26 s LYS 142 N -1.22 0.09 0.11 3.50 1.02 0.55 -4.67 119.74 119.12 1h26 s LYS 142 Ca -0.05 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 1h26 s LYS 142 Cb -0.08 -0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 37.07 1h26 s LYS 142 CO 0.01 -0.09 1.59 -0.51 -0.92 0.00 0.00 175.35 175.43 1h26 s LEU 143 N 0.62 4.37 0.43 3.17 1.43 -0.00 -1.00 118.68 127.69 1h26 s LEU 143 Ca -0.05 2.51 0.04 0.00 -1.03 0.00 0.00 54.13 55.61 1h26 s LEU 143 Cb -0.06 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1h26 s LEU 143 CO -0.03 -0.84 0.16 0.00 0.23 0.00 0.00 176.35 175.87 1h26 s ALA 144 N 1.96 3.01 -0.42 4.21 0.00 0.19 -1.22 121.76 129.50 1h26 s ALA 144 Ca 0.71 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1h26 s ALA 144 Cb -0.41 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.55 1h26 s ALA 144 CO 0.31 -0.36 0.59 -3.47 0.00 0.00 0.00 175.76 172.83 1h26 n ASP 145 N -1.49 -6.76 -1.38 0.00 2.03 -1.26 -4.74 116.55 102.94 1h26 n ASP 145 Ca -0.06 0.24 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 1h26 n ASP 145 Cb 0.64 -3.50 0.19 0.00 -0.72 0.00 0.00 41.12 37.74 1h26 n ASP 145 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1h26 n PHE 146 N -0.14 1.30 -0.08 -0.67 3.01 -1.26 -4.32 117.46 115.29 1h26 n PHE 146 Ca 0.01 -0.62 0.13 0.00 1.01 0.00 0.00 57.45 57.98 1h26 n PHE 146 Cb 0.55 -0.41 0.52 0.00 -0.01 0.00 0.00 39.48 40.13 1h26 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h26 h GLY 147 N 3.91 0.54 -1.60 1.37 0.00 -1.91 -1.58 103.07 103.79 1h26 h GLY 147 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1h26 h GLY 147 CO 0.36 0.08 0.00 1.04 0.00 0.00 0.00 176.54 178.03 1h26 n LEU 148 N -4.46 2.84 -4.75 3.11 4.32 -1.26 -4.69 117.00 112.10 1h26 n LEU 148 Ca 0.10 -1.44 -0.30 0.00 -0.02 0.00 0.00 56.01 54.36 1h26 n LEU 148 Cb 0.42 -0.15 0.12 0.00 -1.62 0.00 0.00 43.42 42.18 1h26 n LEU 148 CO 0.34 0.61 0.68 0.00 -1.22 0.00 0.00 177.39 177.81 1h26 s ALA 149 N -1.23 1.84 -0.08 -1.18 0.00 -0.59 -4.65 121.76 115.87 1h26 s ALA 149 Ca 0.26 -0.08 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 1h26 s ALA 149 Cb 0.16 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1h26 s ALA 149 CO 0.22 -2.09 0.48 -0.98 0.00 0.00 0.00 175.76 173.39 1h26 s ARG 150 N -5.00 0.76 0.03 0.00 1.04 -0.70 -4.89 118.95 110.17 1h26 s ARG 150 Ca 0.62 0.23 -0.30 0.00 -1.04 0.00 0.00 55.73 55.24 1h26 s ARG 150 Cb -0.17 0.35 -0.05 0.00 -2.04 0.00 0.00 34.95 33.05 1h26 s ARG 150 CO 0.56 -0.19 1.19 0.00 -0.04 0.00 0.00 175.30 176.82 1h26 s ALA 151 N -0.77 3.40 0.29 7.88 0.00 -1.26 -1.68 121.76 129.62 1h26 s ALA 151 Ca -0.08 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.73 1h26 s ALA 151 Cb -0.03 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1h26 s ALA 151 CO 0.05 -0.51 0.12 -0.59 0.00 0.00 0.00 175.76 174.82 1h26 s PHE 152 N 1.38 2.83 0.43 0.00 -0.71 -0.09 -4.98 117.98 116.83 1h26 s PHE 152 Ca 0.58 -0.25 0.08 0.00 -1.04 0.00 0.00 56.93 56.30 1h26 s PHE 152 Cb -0.28 -1.43 -0.01 0.00 -1.21 0.00 0.00 43.02 40.09 1h26 s PHE 152 CO 0.27 0.47 0.41 0.20 -1.34 0.00 0.00 175.22 175.24 1h26 s GLY 153 N -3.80 2.12 -0.20 1.99 0.00 -1.26 -4.87 107.32 101.31 1h26 s GLY 153 Ca 0.34 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 43.23 1h26 s GLY 153 CO 0.23 -1.69 -0.08 0.14 0.00 0.00 0.00 173.10 171.69 1h26 s VAL 154 N -2.49 1.52 0.88 1.40 1.01 -1.26 -1.99 120.40 119.47 1h26 s VAL 154 Ca 0.48 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1h26 s VAL 154 Cb -0.04 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.81 1h26 s VAL 154 CO 0.28 0.11 1.15 -2.16 0.00 0.00 0.00 175.10 174.48 1h26 s PRO 155 N 1.44 1.39 0.59 2.72 0.04 -1.26 -5.12 135.00 134.79 1h26 s PRO 155 Ca -0.02 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.12 1h26 s PRO 155 Cb -0.16 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1h26 s PRO 155 CO -0.08 -2.02 1.07 0.14 0.04 0.00 0.00 177.00 176.15 1h26 s VAL 156 N -3.35 3.65 0.34 -0.36 -7.23 -0.84 -5.08 120.40 107.53 1h26 s VAL 156 Ca 0.63 0.83 0.03 0.00 -1.81 0.00 0.00 61.98 61.67 1h26 s VAL 156 Cb -0.14 -3.34 0.06 0.00 0.56 0.00 0.00 36.38 33.53 1h26 s VAL 156 CO 0.52 -0.41 0.46 0.54 -0.31 0.00 0.00 175.10 175.90 1h26 n ARG 157 N -1.89 0.57 -2.19 4.82 1.74 -1.26 -5.00 116.66 113.45 1h26 n ARG 157 Ca 0.09 -1.56 -0.42 0.00 -0.77 0.00 0.00 57.85 55.20 1h26 n ARG 157 Cb 0.52 -0.21 -0.03 0.00 -1.02 0.00 0.00 32.46 31.72 1h26 n ARG 157 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1h26 s THR 158 N -1.13 3.45 0.00 0.55 2.01 -1.25 -4.72 115.64 114.55 1h26 s THR 158 Ca 0.33 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1h26 s THR 158 Cb -0.02 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1h26 s THR 158 CO 0.21 0.05 0.00 -1.22 -0.69 0.00 0.00 174.62 172.98 1h26 n TYR 159 N 4.40 0.00 -0.02 4.92 4.01 -1.26 -5.11 117.16 124.09 1h26 n TYR 159 Ca 0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1h26 n TYR 159 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.44 1h26 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h26 n HIS 161 N -2.20 0.00 -2.09 -0.72 -0.00 -1.26 -5.06 115.22 103.89 1h26 n HIS 161 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 1h26 n HIS 161 Cb 0.46 -0.18 -0.06 0.00 -0.12 0.00 0.00 29.99 30.09 1h26 n HIS 161 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1h26 s GLU 162 N -2.09 2.58 -0.10 1.57 8.01 -1.26 -4.90 118.70 122.51 1h26 s GLU 162 Ca -0.07 -1.07 -0.06 0.00 0.01 0.00 0.00 54.97 53.79 1h26 s GLU 162 Cb 0.02 -5.23 0.04 0.00 -4.31 0.00 0.00 34.13 24.65 1h26 s GLU 162 CO 0.10 -3.80 0.23 0.08 0.01 0.00 0.00 175.26 171.88 1h26 s VAL 163 N 10.52 -0.03 0.00 2.63 1.01 -1.26 -5.07 120.40 128.19 1h26 s VAL 163 Ca 0.68 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1h26 s VAL 163 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1h26 s VAL 163 CO 0.11 0.05 0.00 0.52 0.00 0.00 0.00 175.10 175.77 1h26 n VAL 164 N 3.93 -0.77 -1.62 2.92 0.31 -1.12 -4.87 118.33 117.11 1h26 n VAL 164 Ca -0.22 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.63 1h26 n VAL 164 Cb 0.54 -0.77 -0.04 0.00 -0.91 0.00 0.00 33.84 32.67 1h26 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h26 n THR 165 N 1.06 0.79 -0.29 2.52 -1.04 -1.26 -4.70 114.28 111.36 1h26 n THR 165 Ca 0.00 -0.20 0.05 0.00 -2.04 0.00 0.00 64.05 61.86 1h26 n THR 165 Cb 0.00 -1.09 0.13 0.00 -1.82 0.00 0.00 70.33 67.55 1h26 n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1h26 h LEU 166 N 3.89 -0.66 -2.32 -4.42 5.85 -1.96 -0.08 115.31 115.60 1h26 h LEU 166 Ca -0.44 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1h26 h LEU 166 Cb 1.31 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 1h26 h LEU 166 CO 0.74 -0.26 -0.04 -0.50 -0.34 0.00 0.00 178.44 178.03 1h26 h TRP 167 N 0.02 0.00 -0.23 1.25 6.55 -1.87 -1.57 115.95 120.11 1h26 h TRP 167 Ca 0.42 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.26 1h26 h TRP 167 Cb 0.70 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.00 1h26 h TRP 167 CO -0.59 0.04 0.00 0.66 -1.05 0.00 0.00 178.44 177.49 1h26 n TYR 168 N -3.74 0.29 -2.59 0.49 4.01 -0.07 -4.49 117.16 111.07 1h26 n TYR 168 Ca -0.03 -0.22 -0.40 0.00 -0.16 0.00 0.00 57.90 57.08 1h26 n TYR 168 Cb 0.13 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 1h26 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h26 s ARG 169 N -1.16 4.69 0.49 -0.72 3.52 -0.59 -4.01 118.95 121.17 1h26 s ARG 169 Ca 0.24 1.66 -0.19 0.00 -0.13 0.00 0.00 55.73 57.31 1h26 s ARG 169 Cb 0.15 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 30.19 1h26 s ARG 169 CO 0.20 0.26 1.00 0.00 -0.81 0.00 0.00 175.30 175.95 1h26 s ALA 170 N -0.79 2.95 0.39 6.12 0.00 -1.26 -4.89 121.76 124.29 1h26 s ALA 170 Ca 0.45 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.93 1h26 s ALA 170 Cb -0.29 -3.19 0.81 0.00 0.00 0.00 0.00 23.12 20.46 1h26 s ALA 170 CO 0.36 -0.21 1.91 -1.00 0.00 0.00 0.00 175.76 176.82 1h26 h PRO 171 N 1.39 0.15 -0.06 0.00 0.13 -1.96 -1.52 132.00 130.13 1h26 h PRO 171 Ca -0.48 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1h26 h PRO 171 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1h26 h PRO 171 CO 0.60 0.34 -0.16 1.05 -0.23 0.00 0.00 178.00 179.60 1h26 h GLU 172 N 0.15 0.10 -0.00 0.86 9.09 -1.93 0.01 114.58 122.85 1h26 h GLU 172 Ca 0.03 -0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.35 1h26 h GLU 172 Cb 0.42 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1h26 h GLU 172 CO 0.03 0.26 -0.28 0.82 0.05 0.00 0.00 179.01 179.90 1h26 h ILE 173 N 0.09 1.54 -0.40 -1.06 2.04 -1.66 -0.92 117.51 117.14 1h26 h ILE 173 Ca 0.02 -1.95 0.12 0.00 1.00 0.00 0.00 64.86 64.04 1h26 h ILE 173 Cb 0.35 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1h26 h ILE 173 CO 0.02 0.54 0.31 -0.07 0.00 0.00 0.00 178.15 178.95 1h26 h LEU 174 N -0.47 0.00 -2.95 1.44 3.38 -0.80 0.51 115.31 116.43 1h26 h LEU 174 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1h26 h LEU 174 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1h26 h LEU 174 CO 0.05 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.76 1h26 n LEU 175 N -4.23 3.94 -0.05 1.67 4.77 -0.06 -4.90 117.00 118.15 1h26 n LEU 175 Ca 0.07 -2.22 -0.01 0.00 -0.03 0.00 0.00 56.01 53.82 1h26 n LEU 175 Cb 0.50 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1h26 n LEU 175 CO 0.34 0.84 -0.01 0.61 -1.33 0.00 0.00 177.39 177.85 1h26 n GLY 176 N 1.02 0.46 3.70 -0.72 0.00 0.17 -2.44 105.19 107.38 1h26 n GLY 176 Ca 0.21 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1h26 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h26 h LYS 178 N 6.67 0.00 -4.86 0.00 3.64 -1.94 -3.41 116.57 116.68 1h26 h LYS 178 Ca -0.44 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.32 1h26 h LYS 178 Cb 1.22 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.68 1h26 h LYS 178 CO 0.94 0.06 -0.85 0.71 -2.27 0.00 0.00 179.45 178.04 1h26 s TYR 179 N -3.99 2.35 0.13 1.91 2.02 -1.26 -3.80 117.35 114.70 1h26 s TYR 179 Ca -0.02 -1.28 0.01 0.00 -0.37 0.00 0.00 57.07 55.42 1h26 s TYR 179 Cb 0.12 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 1h26 s TYR 179 CO 0.53 -0.65 -0.03 1.52 -1.57 0.00 0.00 175.55 175.35 1h26 s TYR 180 N 1.23 0.99 0.00 2.71 -0.85 -1.26 -4.97 117.35 115.20 1h26 s TYR 180 Ca 0.01 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.57 1h26 s TYR 180 Cb -0.14 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.63 1h26 s TYR 180 CO -0.08 -0.21 0.00 0.45 -1.52 0.00 0.00 175.55 174.19 1h26 n SER 181 N -0.11 0.00 -0.33 -0.18 2.88 -1.26 -4.93 113.62 109.68 1h26 n SER 181 Ca -0.10 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.63 1h26 n SER 181 Cb 0.62 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.52 1h26 n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1h26 h THR 182 N 0.00 0.58 -1.41 2.46 1.35 -1.99 -0.80 112.91 113.10 1h26 h THR 182 Ca 0.00 -0.18 0.42 0.00 -0.55 0.00 0.00 66.41 66.10 1h26 h THR 182 Cb 0.00 0.01 -0.09 0.00 -1.73 0.00 0.00 68.15 66.33 1h26 h THR 182 CO 0.00 0.10 0.96 0.00 -0.25 0.00 0.00 175.52 176.33 1h26 h ALA 183 N 1.65 3.01 -0.27 6.62 0.00 -1.93 0.44 119.26 128.79 1h26 h ALA 183 Ca 0.60 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.46 1h26 h ALA 183 Cb 1.28 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1h26 h ALA 183 CO -0.35 -1.54 -0.18 -0.39 0.00 0.00 0.00 179.25 176.79 1h26 h VAL 184 N 0.09 1.24 -0.43 0.00 -1.51 -1.54 -1.71 116.25 112.39 1h26 h VAL 184 Ca 0.76 -1.11 -0.10 0.00 -1.23 0.00 0.00 66.70 65.03 1h26 h VAL 184 Cb 2.64 1.23 -0.02 0.00 -2.13 0.00 0.00 31.29 33.02 1h26 h VAL 184 CO -0.22 0.36 -0.12 0.44 -1.23 0.00 0.00 177.57 176.80 1h26 h ASP 185 N 0.43 0.78 -0.47 4.19 3.32 -1.08 -2.87 116.42 120.72 1h26 h ASP 185 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1h26 h ASP 185 Cb 0.56 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1h26 h ASP 185 CO 0.04 0.92 0.26 0.40 -1.72 0.00 0.00 179.24 179.13 1h26 h ILE 186 N 0.71 1.17 -0.61 0.35 1.08 -1.37 -2.17 117.51 116.67 1h26 h ILE 186 Ca 0.12 -0.44 0.13 0.00 -0.39 0.00 0.00 64.86 64.27 1h26 h ILE 186 Cb 0.61 0.60 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 1h26 h ILE 186 CO 0.04 0.18 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.41 1h26 h TRP 187 N 0.63 -0.09 -0.68 1.37 2.91 -1.23 0.50 115.95 119.35 1h26 h TRP 187 Ca 0.17 0.05 -0.07 0.00 1.13 0.00 0.00 58.89 60.17 1h26 h TRP 187 Cb 0.06 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 1h26 h TRP 187 CO -0.02 -0.18 0.16 0.77 -1.03 0.00 0.00 178.44 178.14 1h26 h SER 188 N 0.09 1.01 -0.53 2.65 0.02 -1.28 -1.56 113.55 113.96 1h26 h SER 188 Ca 0.32 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1h26 h SER 188 Cb 0.51 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1h26 h SER 188 CO -0.55 0.97 0.12 -0.07 -1.14 0.00 0.00 176.83 176.16 1h26 h LEU 189 N 1.02 0.82 -0.38 5.07 3.38 -0.75 0.19 115.31 124.66 1h26 h LEU 189 Ca 0.21 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1h26 h LEU 189 Cb 0.36 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1h26 h LEU 189 CO 0.00 0.85 -0.18 1.23 0.09 0.00 0.00 178.44 180.42 1h26 h GLY 190 N 0.75 0.10 1.56 0.83 0.00 -0.67 0.18 103.07 105.82 1h26 h GLY 190 Ca 0.16 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1h26 h GLY 190 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 176.54 176.51 1h26 h ILE 192 N 0.57 1.33 -0.45 0.00 2.04 -0.23 -2.50 117.51 118.28 1h26 h ILE 192 Ca 0.14 -2.01 0.05 0.00 1.00 0.00 0.00 64.86 64.04 1h26 h ILE 192 Cb 0.12 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 1h26 h ILE 192 CO -0.01 0.62 0.19 0.15 0.00 0.00 0.00 178.15 179.09 1h26 h PHE 193 N 0.41 0.34 -1.00 1.37 3.57 0.48 0.02 116.94 122.13 1h26 h PHE 193 Ca -0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1h26 h PHE 193 Cb 1.30 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 1h26 h PHE 193 CO 0.06 0.15 0.65 0.00 -2.23 0.00 0.00 178.31 176.93 1h26 h ALA 194 N 1.27 1.35 -0.01 2.41 0.00 -1.11 -2.41 119.26 120.76 1h26 h ALA 194 Ca 0.20 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 1h26 h ALA 194 Cb 0.16 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h26 h ALA 194 CO -0.18 0.49 -0.99 1.49 0.00 0.00 0.00 179.25 180.06 1h26 h GLU 195 N 1.21 0.58 0.00 0.00 4.81 -0.93 0.71 114.58 120.97 1h26 h GLU 195 Ca 0.41 -0.62 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1h26 h GLU 195 Cb 0.09 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1h26 h GLU 195 CO -0.15 1.23 -0.24 0.52 -0.73 0.00 0.00 179.01 179.64 1h26 h MET 196 N 0.33 0.00 0.01 1.92 2.86 -0.62 0.23 114.93 119.67 1h26 h MET 196 Ca -0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1h26 h MET 196 Cb 1.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.29 1h26 h MET 196 CO 0.18 0.24 -0.01 0.28 1.06 0.00 0.00 176.91 178.67 1h26 h VAL 197 N 0.00 1.53 0.00 -2.22 2.07 -0.46 -3.36 116.25 113.81 1h26 h VAL 197 Ca -0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1h26 h VAL 197 Cb 0.43 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1h26 h VAL 197 CO 0.03 0.46 -0.81 0.35 0.02 0.00 0.00 177.57 177.62 1h26 n THR 198 N -4.72 0.14 -1.45 2.57 -2.24 -0.26 -4.86 114.28 103.46 1h26 n THR 198 Ca -0.09 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1h26 n THR 198 Cb 0.38 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1h26 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h26 n ARG 199 N -1.81 -1.30 -3.88 -0.78 1.74 0.81 -4.99 116.66 106.44 1h26 n ARG 199 Ca 0.03 1.03 -0.11 0.00 -0.77 0.00 0.00 57.85 58.04 1h26 n ARG 199 Cb 0.40 -5.29 -0.12 0.00 -1.02 0.00 0.00 32.46 26.43 1h26 n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h26 s ARG 200 N -3.27 0.26 0.21 5.56 1.70 -1.24 -5.02 118.95 117.15 1h26 s ARG 200 Ca 0.00 -0.20 -0.32 0.00 -0.47 0.00 0.00 55.73 54.74 1h26 s ARG 200 Cb 0.00 0.10 -0.15 0.00 -0.57 0.00 0.00 34.95 34.34 1h26 s ARG 200 CO 0.00 -0.05 1.22 0.00 -1.08 0.00 0.00 175.30 175.39 1h26 n ALA 201 N 2.25 -0.10 -0.05 7.88 0.00 -1.26 -4.25 120.51 124.97 1h26 n ALA 201 Ca -0.18 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1h26 n ALA 201 Cb 0.57 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 1h26 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h26 h LEU 202 N 3.43 0.37 -6.73 0.00 5.85 -1.91 -3.40 115.31 112.93 1h26 h LEU 202 Ca -0.43 -0.47 -0.61 0.00 0.84 0.00 0.00 57.88 57.21 1h26 h LEU 202 Cb 1.32 -0.10 -0.40 0.00 0.37 0.00 0.00 40.66 41.85 1h26 h LEU 202 CO 0.70 0.76 -0.77 -0.36 -0.34 0.00 0.00 178.44 178.43 1h26 s PHE 203 N -4.35 2.34 -1.18 1.25 0.08 -1.26 -5.01 117.98 109.85 1h26 s PHE 203 Ca -0.14 -2.84 -0.07 0.00 0.12 0.00 0.00 56.93 54.00 1h26 s PHE 203 Cb 0.05 -1.82 0.24 0.00 -0.57 0.00 0.00 43.02 40.92 1h26 s PHE 203 CO 0.75 -0.68 1.69 -0.35 -0.10 0.00 0.00 175.22 176.53 1h26 n PRO 204 N 2.40 4.05 -1.32 0.24 -0.04 -1.26 -4.47 135.00 134.59 1h26 n PRO 204 Ca 0.25 -4.02 -0.30 0.00 -0.04 0.00 0.00 63.50 59.38 1h26 n PRO 204 Cb 0.41 -2.72 0.11 0.00 -0.04 0.00 0.00 33.50 31.26 1h26 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1h26 s GLY 205 N -0.43 1.64 0.00 0.55 0.00 -1.26 -4.99 107.32 102.82 1h26 s GLY 205 Ca 0.35 0.02 0.06 0.00 0.00 0.00 0.00 44.72 45.15 1h26 s GLY 205 CO 0.05 0.44 0.82 1.22 0.00 0.00 0.00 173.10 175.64 1h26 n ASP 206 N -3.63 1.79 -4.09 1.64 9.92 -1.26 -4.79 116.55 116.13 1h26 n ASP 206 Ca 0.08 -1.48 -0.10 0.00 -0.53 0.00 0.00 54.79 52.75 1h26 n ASP 206 Cb 0.55 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 1h26 n ASP 206 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1h26 s SER 207 N -0.64 0.01 0.15 -2.24 1.04 -1.26 -5.02 113.70 105.74 1h26 s SER 207 Ca 0.08 -1.13 -0.17 0.00 0.48 0.00 0.00 55.95 55.22 1h26 s SER 207 Cb 0.05 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1h26 s SER 207 CO 0.07 -1.01 1.80 -0.33 0.98 0.00 0.00 173.24 174.75 1h26 h GLU 208 N 2.41 0.43 -0.31 4.02 5.08 -1.99 0.11 114.58 124.33 1h26 h GLU 208 Ca -0.30 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 1h26 h GLU 208 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1h26 h GLU 208 CO 0.43 0.29 -0.39 0.97 -1.00 0.00 0.00 179.01 179.30 1h26 h ILE 209 N 0.44 1.29 -0.61 3.13 6.09 -1.96 -1.72 117.51 124.17 1h26 h ILE 209 Ca 0.14 -1.57 0.02 0.00 -1.37 0.00 0.00 64.86 62.09 1h26 h ILE 209 Cb -0.01 1.46 -0.04 0.00 0.47 0.00 0.00 36.82 38.70 1h26 h ILE 209 CO -0.06 0.51 0.38 -0.78 -3.07 0.00 0.00 178.15 175.13 1h26 h ASP 210 N 0.61 0.62 0.51 2.19 3.58 -1.90 -1.18 116.42 120.86 1h26 h ASP 210 Ca 0.05 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 1h26 h ASP 210 Cb 0.94 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1h26 h ASP 210 CO 0.09 0.43 -0.25 -0.61 -2.88 0.00 0.00 179.24 176.02 1h26 h GLN 211 N 0.75 -0.67 -0.60 0.28 5.75 -0.41 -1.05 115.11 119.15 1h26 h GLN 211 Ca 0.24 0.05 0.12 0.00 -0.15 0.00 0.00 58.65 58.90 1h26 h GLN 211 Cb 0.01 0.15 -0.12 0.00 1.07 0.00 0.00 27.48 28.59 1h26 h GLN 211 CO -0.10 -0.45 -0.25 -0.07 -2.65 0.00 0.00 178.83 175.32 1h26 h LEU 212 N -0.70 -0.87 -0.77 -2.39 3.38 -1.17 -1.29 115.31 111.50 1h26 h LEU 212 Ca -0.07 0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1h26 h LEU 212 Cb 0.54 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1h26 h LEU 212 CO 0.11 -0.26 -0.50 -0.26 0.09 0.00 0.00 178.44 177.62 1h26 h PHE 213 N -0.09 0.36 -0.50 1.13 -1.00 -1.02 0.77 116.94 116.58 1h26 h PHE 213 Ca 0.27 -0.12 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 1h26 h PHE 213 Cb 0.52 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1h26 h PHE 213 CO -0.57 0.74 -0.11 0.00 -1.61 0.00 0.00 178.31 176.75 1h26 h ARG 214 N 0.23 0.94 -0.15 1.51 3.08 -0.85 -0.55 114.38 118.60 1h26 h ARG 214 Ca 0.01 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1h26 h ARG 214 Cb 0.96 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1h26 h ARG 214 CO 0.08 1.00 0.02 0.82 -1.07 0.00 0.00 179.97 180.81 1h26 h ILE 215 N 0.84 1.23 -0.50 2.04 2.04 -0.54 -2.86 117.51 119.76 1h26 h ILE 215 Ca 0.13 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1h26 h ILE 215 Cb 0.65 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 1h26 h ILE 215 CO 0.05 0.22 0.20 -0.26 0.00 0.00 0.00 178.15 178.36 1h26 h PHE 216 N 0.02 0.36 0.00 1.37 0.04 -0.78 -0.12 116.94 117.83 1h26 h PHE 216 Ca 0.04 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1h26 h PHE 216 Cb 0.32 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1h26 h PHE 216 CO 0.02 0.14 0.00 0.00 -0.60 0.00 0.00 178.31 177.87 1h26 h ARG 217 N 0.39 0.00 0.04 1.51 3.08 -1.07 0.15 114.38 118.48 1h26 h ARG 217 Ca 0.24 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.94 1h26 h ARG 217 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1h26 h ARG 217 CO -0.22 0.00 -2.09 2.41 -1.07 0.00 0.00 179.97 179.00 1h26 n THR 218 N -2.62 1.61 0.14 2.04 -1.04 -0.58 -4.57 114.28 109.26 1h26 n THR 218 Ca 0.00 -0.71 0.02 0.00 -2.04 0.00 0.00 64.05 61.32 1h26 n THR 218 Cb 0.19 -1.25 0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1h26 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h26 n LEU 219 N -3.19 1.04 0.00 -4.42 4.77 -0.16 -3.51 117.00 111.53 1h26 n LEU 219 Ca -0.31 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1h26 n LEU 219 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1h26 n LEU 219 CO 0.40 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1h26 n GLY 220 N 0.38 -0.44 3.73 -0.72 0.00 0.50 -4.50 105.19 104.14 1h26 n GLY 220 Ca 0.02 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1h26 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h26 s THR 221 N -2.77 3.34 0.12 2.61 2.01 -0.58 -4.54 115.64 115.83 1h26 s THR 221 Ca 0.00 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.78 1h26 s THR 221 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1h26 s THR 221 CO 0.00 0.15 1.17 -2.16 -0.69 0.00 0.00 174.62 173.10 1h26 s PRO 222 N 0.04 4.49 0.30 4.92 0.04 -1.26 -4.83 135.00 138.70 1h26 s PRO 222 Ca 0.57 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.42 1h26 s PRO 222 Cb -0.35 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 30.92 1h26 s PRO 222 CO 0.37 -0.13 0.24 -0.40 0.04 0.00 0.00 177.00 177.11 1h26 n ASP 223 N 3.15 1.92 0.22 6.66 5.68 -1.26 -4.96 116.55 127.96 1h26 n ASP 223 Ca 0.06 -2.03 0.07 0.00 -0.50 0.00 0.00 54.79 52.38 1h26 n ASP 223 Cb 0.46 -0.03 0.50 0.00 -1.14 0.00 0.00 41.12 40.90 1h26 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1h26 h GLU 224 N 0.00 0.00 0.22 0.11 4.39 -1.97 0.12 114.58 117.45 1h26 h GLU 224 Ca -0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1h26 h GLU 224 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1h26 h GLU 224 CO 0.30 0.26 -0.11 0.28 -1.16 0.00 0.00 179.01 178.58 1h26 h VAL 225 N 0.00 0.00 0.00 3.13 2.07 -1.98 -2.69 116.25 116.77 1h26 h VAL 225 Ca -0.00 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1h26 h VAL 225 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1h26 h VAL 225 CO 0.03 0.00 -0.17 1.62 0.02 0.00 0.00 177.57 179.07 1h26 h VAL 226 N -0.30 0.53 -1.71 2.57 3.04 -1.88 -3.38 116.25 115.12 1h26 h VAL 226 Ca -0.03 -0.85 -0.32 0.00 -1.01 0.00 0.00 66.70 64.50 1h26 h VAL 226 Cb 0.23 1.57 -0.28 0.00 -2.01 0.00 0.00 31.29 30.80 1h26 h VAL 226 CO 0.05 0.17 -0.66 0.86 -1.01 0.00 0.00 177.57 176.98 1h26 s TRP 227 N -3.88 -0.54 0.35 3.17 -0.11 0.38 -4.36 118.94 113.95 1h26 s TRP 227 Ca -0.01 -0.79 -0.29 0.00 1.22 0.00 0.00 56.10 56.23 1h26 s TRP 227 Cb 0.11 -0.25 -0.11 0.00 -1.50 0.00 0.00 33.47 31.72 1h26 s TRP 227 CO 0.61 -1.03 1.45 -2.14 -4.62 0.00 0.00 176.95 171.22 1h26 s PRO 228 N 1.26 4.18 0.00 5.86 0.02 -1.02 -2.02 135.00 143.28 1h26 s PRO 228 Ca 0.20 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.69 1h26 s PRO 228 Cb -0.10 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1h26 s PRO 228 CO -0.05 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1h26 n GLY 229 N 0.85 2.69 0.17 0.52 0.00 -1.26 -4.96 105.19 103.19 1h26 n GLY 229 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1h26 n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1h26 h VAL 230 N 0.00 0.62 0.00 1.61 2.07 -1.73 -0.51 116.25 118.31 1h26 h VAL 230 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1h26 h VAL 230 Cb 0.00 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1h26 h VAL 230 CO 0.00 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.94 1h26 n THR 231 N -5.29 1.38 0.17 2.57 -2.24 -1.26 -1.05 114.28 108.57 1h26 n THR 231 Ca 0.01 0.35 0.09 0.00 -2.27 0.00 0.00 64.05 62.22 1h26 n THR 231 Cb 0.20 -1.30 -0.13 0.00 -2.10 0.00 0.00 70.33 67.01 1h26 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h26 n SER 232 N -1.38 0.95 -4.64 3.42 7.64 -0.21 -4.91 113.62 114.48 1h26 n SER 232 Ca 0.01 -0.20 -0.44 0.00 1.01 0.00 0.00 58.87 59.25 1h26 n SER 232 Cb 0.03 1.62 -0.02 0.00 -1.01 0.00 0.00 64.21 64.83 1h26 n SER 232 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1h26 n MET 233 N -1.95 1.76 -0.34 1.43 2.81 -0.21 -4.85 117.12 115.76 1h26 n MET 233 Ca -0.02 0.62 0.19 0.00 -1.81 0.00 0.00 57.70 56.68 1h26 n MET 233 Cb 0.41 -2.15 0.41 0.00 -0.71 0.00 0.00 33.22 31.19 1h26 n MET 233 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1h26 h PRO 234 N 2.93 0.53 -0.35 0.03 0.11 -1.83 -0.13 132.00 133.29 1h26 h PRO 234 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h26 h PRO 234 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h26 h PRO 234 CO 0.66 0.35 0.00 -0.25 -0.21 0.00 0.00 178.00 178.56 1h26 n ASP 235 N -4.81 4.28 -4.73 -2.05 8.00 -1.02 -4.93 116.55 111.29 1h26 n ASP 235 Ca 0.26 -2.91 -0.41 0.00 0.71 0.00 0.00 54.79 52.44 1h26 n ASP 235 Cb 0.77 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1h26 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1h26 s TYR 236 N -2.66 3.43 -0.11 1.24 6.14 -0.06 -4.92 117.35 120.42 1h26 s TYR 236 Ca 0.44 1.36 0.03 0.00 0.64 0.00 0.00 57.07 59.55 1h26 s TYR 236 Cb 0.34 -3.43 0.00 0.00 0.42 0.00 0.00 41.96 39.30 1h26 s TYR 236 CO 0.12 -1.26 -0.22 0.15 0.64 0.00 0.00 175.55 174.97 1h26 s LYS 237 N 0.27 2.88 0.26 4.97 -0.14 -1.26 -4.95 119.74 121.76 1h26 s LYS 237 Ca 0.55 -0.82 0.21 0.00 -1.36 0.00 0.00 55.97 54.56 1h26 s LYS 237 Cb -0.32 -2.22 0.99 0.00 -1.68 0.00 0.00 37.83 34.60 1h26 s LYS 237 CO 0.34 0.11 1.64 -0.35 -0.76 0.00 0.00 175.35 176.33 1h26 n PRO 238 N 3.69 0.15 0.00 -1.68 -0.04 -1.26 -1.67 135.00 134.20 1h26 n PRO 238 Ca -0.20 0.50 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 1h26 n PRO 238 Cb 0.52 -1.87 0.71 0.00 -0.04 0.00 0.00 33.50 32.82 1h26 n PRO 238 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h26 n SER 239 N -2.17 0.28 -4.64 3.54 3.41 -1.26 -4.84 113.62 107.94 1h26 n SER 239 Ca 0.01 -0.52 -0.53 0.00 -0.26 0.00 0.00 58.87 57.57 1h26 n SER 239 Cb 0.14 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 1h26 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1h26 n PHE 240 N -1.04 1.76 -1.78 7.33 3.72 -0.67 -4.92 117.46 121.87 1h26 n PHE 240 Ca 0.16 0.55 -0.40 0.00 -0.05 0.00 0.00 57.45 57.71 1h26 n PHE 240 Cb 0.24 -2.40 0.01 0.00 -0.94 0.00 0.00 39.48 36.40 1h26 n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1h26 s PRO 241 N 1.55 3.77 -0.68 -1.08 0.02 -1.26 -4.95 135.00 132.38 1h26 s PRO 241 Ca 0.88 2.47 -0.13 0.00 0.02 0.00 0.00 61.00 64.25 1h26 s PRO 241 Cb -0.95 -2.73 0.18 0.00 0.02 0.00 0.00 34.50 31.02 1h26 s PRO 241 CO 0.52 -0.77 0.60 0.15 -0.33 0.00 0.00 177.00 177.17 1h26 s LYS 242 N -2.38 3.18 0.14 5.54 -0.14 -1.26 -4.81 119.74 120.00 1h26 s LYS 242 Ca 0.59 -2.18 -0.10 0.00 -1.36 0.00 0.00 55.97 52.92 1h26 s LYS 242 Cb -0.45 -4.25 -0.06 0.00 -1.68 0.00 0.00 37.83 31.39 1h26 s LYS 242 CO 0.58 -1.28 0.46 -1.58 -0.76 0.00 0.00 175.35 172.78 1h26 s TRP 243 N 0.67 3.54 0.43 3.18 0.51 -1.26 -4.89 118.94 121.12 1h26 s TRP 243 Ca 0.12 0.83 -0.23 0.00 -2.12 0.00 0.00 56.10 54.71 1h26 s TRP 243 Cb -0.19 -2.21 -0.08 0.00 -0.81 0.00 0.00 33.47 30.18 1h26 s TRP 243 CO -0.04 0.43 1.08 0.00 -0.51 0.00 0.00 176.95 177.91 1h26 s ALA 244 N -1.55 3.01 0.22 0.98 0.00 -1.26 -1.52 121.76 121.64 1h26 s ALA 244 Ca 0.38 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 1h26 s ALA 244 Cb -0.13 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1h26 s ALA 244 CO 0.20 -0.36 1.18 0.50 0.00 0.00 0.00 175.76 177.27 1h26 s ARG 245 N -2.69 4.52 0.46 0.00 3.52 -1.26 -3.98 118.95 119.52 1h26 s ARG 245 Ca 0.61 1.88 -0.20 0.00 -0.13 0.00 0.00 55.73 57.90 1h26 s ARG 245 Cb -0.23 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 1h26 s ARG 245 CO 0.28 -0.01 0.97 -0.65 -0.81 0.00 0.00 175.30 175.08 1h26 s GLN 246 N -0.70 4.10 -0.02 5.12 -0.21 -1.23 -4.89 119.66 121.83 1h26 s GLN 246 Ca 0.50 1.11 -0.30 0.00 0.02 0.00 0.00 55.36 56.69 1h26 s GLN 246 Cb -0.33 -2.16 -0.06 0.00 1.00 0.00 0.00 33.01 31.46 1h26 s GLN 246 CO 0.39 -0.14 1.57 0.34 -2.12 0.00 0.00 175.29 175.32 1h26 s ASP 247 N -2.37 6.72 0.57 5.90 3.68 -1.26 -4.89 116.67 125.01 1h26 s ASP 247 Ca 0.62 2.23 0.28 0.00 2.13 0.00 0.00 52.55 57.81 1h26 s ASP 247 Cb -0.10 -2.55 1.52 0.00 -1.45 0.00 0.00 42.92 40.34 1h26 s ASP 247 CO 0.18 -0.85 2.01 -0.26 0.13 0.00 0.00 175.17 176.38 1h26 h PHE 248 N 8.73 0.00 0.00 -5.34 -1.00 -1.94 0.13 116.94 117.51 1h26 h PHE 248 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1h26 h PHE 248 Cb 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1h26 h PHE 248 CO 0.82 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 178.18 1h26 h SER 249 N 0.00 0.00 0.84 2.17 4.64 -1.90 -1.69 113.55 117.62 1h26 h SER 249 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1h26 h SER 249 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1h26 h SER 249 CO -0.00 0.00 -1.22 0.11 -0.87 0.00 0.00 176.83 174.84 1h26 h LYS 250 N 0.00 0.00 -0.59 4.77 1.79 -1.34 -3.24 116.57 117.96 1h26 h LYS 250 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1h26 h LYS 250 Cb 0.16 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1h26 h LYS 250 CO 0.00 0.17 0.05 0.28 -1.08 0.00 0.00 179.45 178.87 1h26 h VAL 251 N 0.00 1.26 -1.96 0.50 2.07 -1.29 -3.35 116.25 113.49 1h26 h VAL 251 Ca -0.09 -1.06 -0.50 0.00 0.82 0.00 0.00 66.70 65.87 1h26 h VAL 251 Cb 1.33 0.79 -0.34 0.00 -1.52 0.00 0.00 31.29 31.56 1h26 h VAL 251 CO 0.03 0.38 -0.92 0.52 0.02 0.00 0.00 177.57 177.60 1h26 n VAL 252 N -4.27 -0.87 -0.28 2.57 0.31 -1.16 -5.05 118.33 109.60 1h26 n VAL 252 Ca 0.03 -3.13 0.05 0.00 -0.01 0.00 0.00 64.34 61.28 1h26 n VAL 252 Cb 0.30 -1.19 0.15 0.00 -0.91 0.00 0.00 33.84 32.19 1h26 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h26 h PRO 253 N 5.06 0.05 0.00 5.55 0.11 -1.71 -1.37 132.00 139.68 1h26 h PRO 253 Ca 0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1h26 h PRO 253 Cb 0.94 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1h26 h PRO 253 CO 0.34 0.03 -0.00 -1.35 -0.21 0.00 0.00 178.00 176.81 1h26 h PRO 254 N 0.05 0.00 -6.69 1.05 0.11 -1.95 -3.44 132.00 121.12 1h26 h PRO 254 Ca 0.42 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 66.01 1h26 h PRO 254 Cb 0.73 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.88 1h26 h PRO 254 CO -0.76 0.00 0.77 -1.17 -0.21 0.00 0.00 178.00 176.63 1h26 s LEU 255 N -6.31 4.38 1.19 2.35 2.96 -0.52 -5.03 118.68 117.71 1h26 s LEU 255 Ca -0.04 2.58 -0.16 0.00 -0.22 0.00 0.00 54.13 56.29 1h26 s LEU 255 Cb 0.13 -3.61 0.28 0.00 0.50 0.00 0.00 46.19 43.49 1h26 s LEU 255 CO 0.44 -0.70 1.04 1.51 -1.32 0.00 0.00 176.35 177.32 1h26 s ASP 256 N 0.61 0.89 0.25 3.68 -4.77 -1.26 -4.76 116.67 111.31 1h26 s ASP 256 Ca 0.62 1.05 -0.07 0.00 -3.30 0.00 0.00 52.55 50.85 1h26 s ASP 256 Cb -0.41 -1.59 0.46 0.00 -1.09 0.00 0.00 42.92 40.29 1h26 s ASP 256 CO 0.39 -4.19 1.62 -0.08 0.70 0.00 0.00 175.17 173.61 1h26 h GLU 257 N -2.62 0.07 0.01 2.11 4.81 -1.98 -0.25 114.58 116.73 1h26 h GLU 257 Ca -0.52 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.52 1h26 h GLU 257 Cb 1.33 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.71 1h26 h GLU 257 CO 0.44 0.05 -0.73 -0.44 -0.73 0.00 0.00 179.01 177.60 1h26 h ASP 258 N 0.07 0.63 -0.22 1.04 3.32 -1.98 -0.58 116.42 118.70 1h26 h ASP 258 Ca 0.43 -0.76 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1h26 h ASP 258 Cb 0.76 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1h26 h ASP 258 CO -0.73 1.31 0.11 1.23 -1.72 0.00 0.00 179.24 179.45 1h26 h GLY 259 N 0.01 0.29 0.61 2.75 0.00 -1.92 -0.27 103.07 104.54 1h26 h GLY 259 Ca -0.09 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1h26 h GLY 259 CO 0.14 0.07 0.11 3.21 0.00 0.00 0.00 176.54 180.07 1h26 h ARG 260 N 0.24 0.24 -0.00 4.80 3.08 -0.98 0.47 114.38 122.23 1h26 h ARG 260 Ca 0.09 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1h26 h ARG 260 Cb 0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1h26 h ARG 260 CO -0.05 0.16 -0.15 1.03 -1.07 0.00 0.00 179.97 179.88 1h26 h SER 261 N 0.25 -0.44 -0.83 7.04 0.87 -0.66 -1.92 113.55 117.86 1h26 h SER 261 Ca 0.18 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1h26 h SER 261 Cb 0.18 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1h26 h SER 261 CO -0.21 -0.21 0.53 0.25 -0.53 0.00 0.00 176.83 176.67 1h26 h LEU 262 N -0.25 0.88 -0.79 2.23 5.85 -0.51 -2.47 115.31 120.26 1h26 h LEU 262 Ca 0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1h26 h LEU 262 Cb 0.32 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1h26 h LEU 262 CO -0.15 0.61 0.40 0.25 -0.34 0.00 0.00 178.44 179.21 1h26 h LEU 263 N 1.04 1.02 -0.73 2.25 5.85 -0.69 -0.00 115.31 124.05 1h26 h LEU 263 Ca 0.33 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1h26 h LEU 263 Cb 0.01 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1h26 h LEU 263 CO -0.11 0.86 0.13 0.77 -0.34 0.00 0.00 178.44 179.74 1h26 h SER 264 N 1.12 1.05 -0.19 1.25 4.64 -1.12 -0.49 113.55 119.80 1h26 h SER 264 Ca 0.28 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.25 1h26 h SER 264 Cb 0.09 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1h26 h SER 264 CO -0.04 1.03 -0.22 1.56 -0.87 0.00 0.00 176.83 178.29 1h26 h GLN 265 N 1.04 0.64 0.00 4.77 4.20 -0.92 -2.44 115.11 122.40 1h26 h GLN 265 Ca 0.21 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1h26 h GLN 265 Cb 0.41 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1h26 h GLN 265 CO 0.01 0.81 0.00 0.52 -0.67 0.00 0.00 178.83 179.50 1h26 h MET 266 N 0.57 0.00 -0.12 1.46 2.86 -0.01 -2.39 114.93 117.29 1h26 h MET 266 Ca 0.08 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1h26 h MET 266 Cb 0.68 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 1h26 h MET 266 CO 0.05 0.00 -0.34 1.28 1.06 0.00 0.00 176.91 178.96 1h26 n LEU 267 N -3.04 3.20 -4.75 1.22 4.77 -0.29 -3.98 117.00 114.14 1h26 n LEU 267 Ca 0.01 -3.85 -0.41 0.00 -0.03 0.00 0.00 56.01 51.73 1h26 n LEU 267 Cb 0.34 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1h26 n LEU 267 CO 0.28 1.35 1.11 -2.28 -1.33 0.00 0.00 177.39 176.51 1h26 s HIS 268 N -3.24 2.98 0.07 -1.77 2.46 -0.94 -4.96 115.29 109.90 1h26 s HIS 268 Ca 0.40 1.04 -0.29 0.00 0.47 0.00 0.00 55.06 56.68 1h26 s HIS 268 Cb 0.38 -3.84 -0.17 0.00 -0.13 0.00 0.00 32.58 28.82 1h26 s HIS 268 CO -0.04 -2.70 1.62 1.88 -2.47 0.00 0.00 174.74 173.02 1h26 h TYR 269 N 4.81 -0.52 -2.82 3.88 -1.99 -1.91 -3.41 116.97 115.01 1h26 h TYR 269 Ca -0.46 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 59.69 1h26 h TYR 269 Cb 1.22 0.17 -0.03 0.00 2.00 0.00 0.00 36.73 40.09 1h26 h TYR 269 CO 0.59 -0.30 1.06 0.34 -0.00 0.00 0.00 178.16 179.85 1h26 s ASP 270 N -4.73 6.58 0.36 3.88 -1.08 -1.26 -4.84 116.67 115.57 1h26 s ASP 270 Ca -0.16 1.68 0.05 0.00 -0.52 0.00 0.00 52.55 53.60 1h26 s ASP 270 Cb 0.04 -2.53 0.72 0.00 -1.46 0.00 0.00 42.92 39.68 1h26 s ASP 270 CO 0.62 -1.08 1.98 -0.65 0.52 0.00 0.00 175.17 176.57 1h26 h PRO 271 N 9.84 0.75 -0.73 4.34 0.11 -1.95 -1.08 132.00 143.28 1h26 h PRO 271 Ca -0.32 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.79 1h26 h PRO 271 Cb 1.14 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1h26 h PRO 271 CO 0.99 0.50 0.48 -0.91 -0.21 0.00 0.00 178.00 178.85 1h26 h ASN 272 N 0.77 0.72 1.42 -2.05 2.35 -1.95 -2.64 115.58 114.20 1h26 h ASN 272 Ca 0.27 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 1h26 h ASN 272 Cb 0.12 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1h26 h ASN 272 CO -0.08 0.48 -0.59 0.11 -1.65 0.00 0.00 177.43 175.70 1h26 h LYS 273 N 0.82 0.00 -6.70 0.81 1.79 -1.62 -3.46 116.57 108.22 1h26 h LYS 273 Ca 0.30 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.21 1h26 h LYS 273 Cb 0.16 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 30.90 1h26 h LYS 273 CO -0.10 0.06 0.63 -2.13 -1.08 0.00 0.00 179.45 176.83 1h26 n ARG 274 N -2.91 2.21 -1.90 3.15 0.63 -0.62 -4.89 116.66 112.33 1h26 n ARG 274 Ca 0.01 0.78 -0.41 0.00 -0.92 0.00 0.00 57.85 57.31 1h26 n ARG 274 Cb 0.58 -2.43 -0.02 0.00 0.45 0.00 0.00 32.46 31.03 1h26 n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1h26 s ILE 275 N -0.48 2.38 0.74 5.15 2.07 -0.90 -5.00 121.20 125.16 1h26 s ILE 275 Ca 0.62 0.32 -0.13 0.00 -1.41 0.00 0.00 60.65 60.05 1h26 s ILE 275 Cb -0.59 -3.20 0.04 0.00 0.13 0.00 0.00 42.46 38.85 1h26 s ILE 275 CO 0.55 0.05 1.12 -0.94 -1.91 0.00 0.00 174.94 173.81 1h26 s SER 276 N 0.44 4.47 0.15 4.50 1.04 -1.26 -4.87 113.70 118.17 1h26 s SER 276 Ca 0.61 2.02 -0.12 0.00 0.48 0.00 0.00 55.95 58.95 1h26 s SER 276 Cb -0.45 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.14 1h26 s SER 276 CO 0.45 -2.07 1.59 0.00 0.98 0.00 0.00 173.24 174.19 1h26 h ALA 277 N -0.67 0.67 -0.20 5.32 0.00 -1.95 -1.88 119.26 120.56 1h26 h ALA 277 Ca -0.45 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.19 1h26 h ALA 277 Cb 1.25 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1h26 h ALA 277 CO 0.51 0.53 -0.10 -0.22 0.00 0.00 0.00 179.25 179.97 1h26 h LYS 278 N 0.77 -0.07 0.00 0.00 3.64 -1.91 -2.82 116.57 116.18 1h26 h LYS 278 Ca 0.13 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1h26 h LYS 278 Cb 0.59 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1h26 h LYS 278 CO 0.04 -0.05 -0.46 0.00 -2.27 0.00 0.00 179.45 176.71 1h26 h ALA 279 N 1.11 1.16 0.00 5.00 0.00 -1.91 -2.07 119.26 122.55 1h26 h ALA 279 Ca 0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1h26 h ALA 279 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1h26 h ALA 279 CO -0.25 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.28 1h26 h ALA 280 N 1.54 1.37 -0.03 0.00 0.00 -1.10 -1.62 119.26 119.41 1h26 h ALA 280 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1h26 h ALA 280 Cb 0.86 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1h26 h ALA 280 CO 0.06 0.38 0.07 -0.07 0.00 0.00 0.00 179.25 179.68 1h26 h LEU 281 N 0.00 0.00 -2.00 0.00 3.38 -1.16 0.12 115.31 115.65 1h26 h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h26 h LEU 281 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1h26 h LEU 281 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1h26 n ALA 282 N -2.20 2.56 -2.13 1.53 0.00 -0.61 -4.88 120.51 114.79 1h26 n ALA 282 Ca -0.02 -0.95 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 1h26 n ALA 282 Cb 0.15 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1h26 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1h26 s HIS 283 N -1.44 3.39 0.53 0.00 5.04 0.02 -4.90 115.29 117.93 1h26 s HIS 283 Ca 0.35 1.33 0.33 0.00 -1.54 0.00 0.00 55.06 55.52 1h26 s HIS 283 Cb 0.19 -3.48 1.49 0.00 0.04 0.00 0.00 32.58 30.83 1h26 s HIS 283 CO 0.22 -1.42 1.85 -1.35 -2.34 0.00 0.00 174.74 171.69 1h26 h PRO 284 N 5.70 0.03 -1.32 2.88 0.11 -1.92 0.78 132.00 138.26 1h26 h PRO 284 Ca -0.44 -0.00 0.41 0.00 0.11 0.00 0.00 66.00 66.08 1h26 h PRO 284 Cb 1.21 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1h26 h PRO 284 CO 0.77 0.02 0.88 0.35 -0.21 0.00 0.00 178.00 179.81 1h26 h PHE 285 N 0.03 0.43 -0.24 0.65 3.57 -1.91 0.14 116.94 119.61 1h26 h PHE 285 Ca 0.50 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.02 1h26 h PHE 285 Cb 1.94 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.57 1h26 h PHE 285 CO -0.00 -0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.16 1h26 n PHE 286 N -4.53 0.31 -0.20 0.41 3.72 0.27 -4.61 117.46 112.82 1h26 n PHE 286 Ca 0.34 -0.15 -0.02 0.00 -0.05 0.00 0.00 57.45 57.57 1h26 n PHE 286 Cb 1.37 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.96 1h26 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1h26 h GLN 287 N 2.97 -0.05 -0.98 -1.08 3.07 -0.83 -2.17 115.11 116.05 1h26 h GLN 287 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 58.65 58.33 1h26 h GLN 287 Cb 0.65 0.01 -0.24 0.00 0.08 0.00 0.00 27.48 27.98 1h26 h GLN 287 CO 0.00 -0.03 0.52 -0.40 0.09 0.00 0.00 178.83 179.01 1h26 n ASP 288 N -5.43 3.73 -4.76 0.06 5.75 -1.26 -5.00 116.55 109.65 1h26 n ASP 288 Ca 0.06 -3.32 -0.41 0.00 -0.01 0.00 0.00 54.79 51.11 1h26 n ASP 288 Cb 0.33 -0.78 -0.03 0.00 -1.03 0.00 0.00 41.12 39.61 1h26 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h26 s VAL 289 N -2.77 3.07 0.34 2.12 0.11 -0.82 -5.04 120.40 117.41 1h26 s VAL 289 Ca 0.48 1.04 0.06 0.00 -2.93 0.00 0.00 61.98 60.63 1h26 s VAL 289 Cb 0.40 -3.66 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1h26 s VAL 289 CO 0.10 0.23 0.22 0.35 -3.33 0.00 0.00 175.10 172.67 1h26 n THR 290 N 1.25 0.00 -3.71 5.04 -2.24 -1.26 -5.07 114.28 108.29 1h26 n THR 290 Ca 0.01 -2.30 -0.28 0.00 -2.27 0.00 0.00 64.05 59.21 1h26 n THR 290 Cb 0.43 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.59 1h26 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h26 n LYS 291 N -0.70 2.05 -2.12 -0.78 4.81 -1.26 -4.27 118.16 115.88 1h26 n LYS 291 Ca 0.03 -4.52 -0.34 0.00 -0.87 0.00 0.00 58.31 52.61 1h26 n LYS 291 Cb 0.58 -2.25 0.01 0.00 0.02 0.00 0.00 35.03 33.39 1h26 n LYS 291 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1h26 s PRO 292 N -1.82 3.27 0.42 1.64 0.04 -1.26 -4.82 135.00 132.48 1h26 s PRO 292 Ca 0.31 1.42 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1h26 s PRO 292 Cb 0.03 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 1h26 s PRO 292 CO -0.11 -0.88 1.25 0.08 0.04 0.00 0.00 177.00 177.37 1h26 s VAL 293 N -2.10 2.79 0.22 -0.36 1.01 -1.26 -4.40 120.40 116.29 1h26 s VAL 293 Ca 0.68 0.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.01 1h26 s VAL 293 Cb -0.20 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 1h26 s VAL 293 CO 0.32 0.06 1.51 -0.81 0.00 0.00 0.00 175.10 176.18 1h26 n PRO 294 N -0.08 2.21 0.00 2.72 -0.04 -1.26 -4.76 135.00 133.79 1h26 n PRO 294 Ca 0.05 0.79 0.07 0.00 -0.04 0.00 0.00 63.50 64.37 1h26 n PRO 294 Cb 0.45 -2.51 0.37 0.00 -0.04 0.00 0.00 33.50 31.77 1h26 n PRO 294 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1h26 n HIS 295 N 2.54 0.00 0.00 0.54 1.44 -1.26 -4.90 115.22 113.58 1h26 n HIS 295 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 1h26 n HIS 295 Cb 0.32 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.19 1h26 n HIS 295 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1h26 n LEU 296 N -1.24 0.00 0.00 2.39 7.94 -1.26 -5.19 117.00 119.64 1h26 n LEU 296 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1h26 n LEU 296 Cb 0.10 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1h26 n LEU 296 CO 0.10 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.24